A0A087YEP8_POEFO Loading...

Chromobox homolog 8b

AlphaFold DB , UniProt , Accession A0A087YEP8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 375 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.7Very low62.5Low238 Ų238138.2 Ų138.2100%1.17274%0.737SS**  087.50-94.5170.1-17400107.6L3M1-L3 PolarHBondContact O-N 3.26Å
2E45.7Very low65.3Low187 Ų187132.6 Ų132.687%0.87472%0.724SS**  trans-67.8115.5165.9-70.3174140.700106.8S4E2-S4 PolarHBondContact O-N 3.5Å
3L49.7Very low67.8Low155 Ų155124.9 Ų124.981%0.81269%0.69SS**  trans-71.983.6175.8-72169.9000108.7M1 A5M1-L3 PolarHBondContact O-N 3.26Å; L3-A5 HydrophobicContact CB-CB 4.3Å; L3-A5 PolarHBondContact O-N 3.17Å
4S57.4Low70Confident123 Ų123120.8 Ų120.886%0.8666%0.663SS**  trans-62.772.2151.9-520000107.6E2E2-S4 PolarHBondContact O-N 3.5Å
5A48.3Very low71.9Confident54 Ų54114.5 Ų114.545%0.44663%0.631SS.*  trans-150.128.2-175.500000112.6L3 G7 R9L3-A5 HydrophobicContact CB-CB 4.3Å; L3-A5 PolarHBondContact O-N 3.17Å; A5-G7 PolarHBondContact O-N 3.44Å; A5-R9 PolarHBondContact O-NH1 3.41Å
6V52.7Low73.5Confident134 Ų134107.6 Ų107.681%0.81259%0.593SS**  trans-72.266.5152.8-171.70000106.2E8V6-E8 PolarHBondContact O-N 3.49Å
7G51.3Low74.9Confident38 Ų38103.5 Ų103.539%0.39257%0.57SS.*  trans-55.8131.9163.400000106.6A5 R9A5-G7 PolarHBondContact O-N 3.44Å; G7-R9 WeakPolarHBondContact O-CG 3.46Å; G7-R9 PolarHBondContact O-N 3.36Å
8E68.9Low76.1Confident195 Ų195102.4 Ų102.491%0.91156%0.558SS**  trans-57.876171.7-66.3167.3170.700108.8V6 V10V6-E8 PolarHBondContact O-N 3.49Å; E8-V10 PolarHBondContact O-N 3.16Å
9R84.2Confident77.2Confident158 Ų158103.6 Ų103.660%0.59655%0.554SS**  trans-84.2111.6178.3-69.8179-63.2-93.5-0.1106.1A5 G7 F11A5-R9 PolarHBondContact O-NH1 3.41Å; G7-R9 WeakPolarHBondContact O-CG 3.46Å; G7-R9 PolarHBondContact O-N 3.36Å; R9-F11 HydrophobicContact CB-CD2 4.33Å; R9-F11 HydrophobicContact CB-CE1 4.41Å; R9-F11 HydrophobicContact CB-CE2 3.45Å; R9-F11 VanDerWaalsContact CB-CE2 3.45Å; R9-F11 HydrophobicContact CB-CZ 3.5Å; R9-F11 HydrophobicContact CG-CZ 4.38Å; R9-F11 VanDerWaalsContact O-CD2 3.25Å; R9-F11 WeakPolarHBondContact O-CD2 3.29Å; R9-F11 VanDerWaalsContact O-CE2 3.27Å; R9-F11 WeakPolarHBondContact O-CE2 3.37Å
10V92.8Very high78.2Confident112 Ų112102.5 Ų102.568%0.67954%0.541SS*.  trans-82.9129.6170.9-1790000108.1E8 L49E8-V10 PolarHBondContact O-N 3.16Å; V10-L49 HydrophobicContact CG1-CD1 4.12Å; V10-L49 HydrophobicContact CG2-CD1 3.9Å
11F95.5Very high79.1Confident126 Ų126104 Ų10455%0.55355%0.548SS*.  trans-117.2149.1177.1-59.8-84.1000109.7R9 A13 W32R9-F11 HydrophobicContact CB-CD2 4.33Å; R9-F11 HydrophobicContact CB-CE1 4.41Å; R9-F11 HydrophobicContact CB-CE2 3.45Å; R9-F11 VanDerWaalsContact CB-CE2 3.45Å; R9-F11 HydrophobicContact CB-CZ 3.5Å; R9-F11 HydrophobicContact CG-CZ 4.38Å; R9-F11 VanDerWaalsContact O-CD2 3.25Å; R9-F11 WeakPolarHBondContact O-CD2 3.29Å; R9-F11 VanDerWaalsContact O-CE2 3.27Å; R9-F11 WeakPolarHBondContact O-CE2 3.37Å; F11-A13 PolarHBondContact O-N 2.93Å; F11-W32 HydrophobicContact CB-CE3 3.94Å; F11-W32 HydrophobicContact CB-CZ3 3.78Å
12A96.8Very high81.8Confident71 Ų7199.1 Ų99.159%0.58752%0.517SS*.  trans-70.8123.8174.500000109.8K33A12-K33 HydrophobicContact CB-CB 3.91Å; A12-K33 WeakPolarHBondContact O-CB 3.4Å; A12-K33 PolarHBondContact O-N 3.17Å
13A98.1Very high84.2Confident33 Ų3399.5 Ų99.527%0.27352%0.516SS..EExtended strand (participates in β ladder)trans-96.5149.3170.800000110.1F11 V30 W32 L53F11-A13 PolarHBondContact O-N 2.93Å; A13-V30 HydrophobicContact CB-CG1 3.49Å; A13-V30 VanDerWaalsContact CB-CG1 3.49Å; A13-W32 HydrophobicContact CB-CE3 4.31Å; A13-W32 HydrophobicContact CB-CZ3 4.31Å; A13-L53 HydrophobicContact CB-CD1 3.88Å
14E97.9Very high86.4Confident67 Ų6795.6 Ų95.631%0.31351%0.512SS..EExtended strand (participates in β ladder)trans-93.5-53.8174.3-174.8167.3119.100111K31 K33E14-K31 HydrophobicContact CB-CB 4.4Å; E14-K31 HydrophobicContact CB-CD 4.42Å; E14-K31 HydrophobicContact CB-CG 4.33Å; E14-K31 HydrophobicContact CG-CD 4.4Å; E14-K31 PolarHBondContact N-O 2.7Å; E14-K31 WeakPolarHBondContact OE1-CD 3.45Å; E14-K31 WeakPolarHBondContact OE1-CE 3.46Å; E14-K31 IonicContact OE1-NZ 3.15Å; E14-K31 PolarHBondContact OE1-NZ 3.5Å; E14-K33 HydrophobicContact CB-CD 4.13Å; E14-K33 HydrophobicContact CG-CD 4.26Å; E14-K33 WeakPolarHBondContact OE2-CD 3.38Å; E14-K33 IonicContact OE2-NZ 3.47Å; E14-K33 PolarHBondContact OE2-NZ 3.45Å
15S97.9Very high88.3Confident26 Ų2697.7 Ų97.718%0.18250%0.502CS..EExtended strand (participates in β ladder)trans-156.4163.9-177.562.50000111.1K31S15-K31 PolarHBondContact N-O 2.94Å; S15-K31 PolarHBondContact O-N 3.38Å
16I98.3Very high90.6Very high5 Ų597.9 Ų97.93%0.02649%0.494CS..EExtended strand (participates in β ladder)trans-96.5128.1166.3-68171000107.3Y28 I48 L53 F54 F57I16-Y28 HydrophobicContact CD1-CD1 4.17Å; I16-Y28 HydrophobicContact CD1-CG 4.29Å; I16-Y28 HydrophobicContact CG2-CD1 3.6Å; I16-Y28 HydrophobicContact CG2-CE1 4.49Å; I16-Y28 HydrophobicContact CG2-CG 4.22Å; I16-I48 HydrophobicContact CD1-CG2 4.3Å; I16-L53 HydrophobicContact CD1-CB 3.87Å; I16-L53 HydrophobicContact CG1-CB 4.13Å; I16-F54 HydrophobicContact CD1-CD1 3.67Å; I16-F54 HydrophobicContact CD1-CE1 3.84Å; I16-F57 HydrophobicContact CB-CB 4.04Å; I16-F57 HydrophobicContact CB-CD2 4.12Å; I16-F57 HydrophobicContact CB-CG 4.15Å; I16-F57 HydrophobicContact CG2-CB 4.14Å; I16-F57 HydrophobicContact CG2-CD1 4.25Å; I16-F57 HydrophobicContact CG2-CD2 3.55Å; I16-F57 HydrophobicContact CG2-CE2 4Å; I16-F57 HydrophobicContact CG2-CG 3.69Å; I16-F57 WeakPolarHBondContact O-CD2 3.46Å
17I97Very high92.7Very high38 Ų3893 Ų9320%0.19546%0.463CS..EExtended strand (participates in β ladder)trans-94.1-51.4-175.9-47.2178.5000110.7L29 K31 S40I17-L29 HydrophobicContact CB-CD2 4.33Å; I17-L29 HydrophobicContact CB-CG 4.44Å; I17-L29 HydrophobicContact CD1-CD2 4.48Å; I17-L29 HydrophobicContact CD1-CG 4.48Å; I17-L29 PolarHBondContact N-O 2.89Å; I17-K31 HydrophobicContact CD1-CB 3.88Å; I17-K31 HydrophobicContact CD1-CG 4.42Å; I17-K31 HydrophobicContact CG1-CB 3.92Å; I17-S40 WeakPolarHBondContact CD1-OG 3.26Å
18K97Very high95Very high84 Ų8491.8 Ų91.837%0.36545%0.446SS..EExtended strand (participates in β ladder)trans-139.3158.1-173.2-62.5-174.7178.7179.50110.7Y28 L29 W42 E206K18-Y28 CarbonylContact O-C 3.55Å; K18-Y28 WeakPolarHBondContact O-CA 3.3Å; K18-L29 HydrophobicContact CB-CB 4.11Å; K18-L29 HydrophobicContact CB-CD2 4.32Å; K18-L29 HydrophobicContact CG-CD2 4.48Å; K18-L29 PolarHBondContact O-N 2.94Å; K18-W42 HydrophobicContact CB-CH2 3.84Å; K18-W42 HydrophobicContact CB-CZ2 4.48Å; K18-E206 IonicContact NZ-OE2 3.13Å; K18-E206 PolarHBondContact NZ-OE2 3.25Å; K18-E206 VanDerWaalsContact NZ-OE2 3.13Å
19R97.3Very high96.4Very high125 Ų12583.8 Ų83.847%0.47241%0.41SS..EExtended strand (participates in β ladder)trans-123.1140.6174.8178.4-178.660.9-174.3-6.8110I26 Y28 F57R19-I26 HydrophobicContact CG-CG2 3.84Å; R19-Y28 HydrophobicContact CB-CD1 3.92Å; R19-Y28 HydrophobicContact CB-CE1 3.88Å; R19-Y28 HydrophobicContact CG-CD1 4.04Å; R19-Y28 HydrophobicContact CG-CE1 3.68Å; R19-F57 HydrophobicContact CB-CE1 3.73Å; R19-F57 HydrophobicContact CB-CZ 3.63Å
20R97Very high97Very high81 Ų8176.2 Ų76.231%0.30638%0.381SS..EExtended strand (participates in β ladder)trans-140.7164.2172.778-176.2-176.9-167.3-5.7112E27 W42R20-E27 HydrophobicContact CG-CB 4.09Å; R20-E27 IonicContact CZ-OE2 2.7Å; R20-E27 PolarHBondContact N-O 3.05Å; R20-E27 IonicContact NE-OE2 3.45Å; R20-E27 PolarHBondContact NE-OE2 3.18Å; R20-E27 IonicContact NH2-OE2 3.36Å; R20-E27 PolarHBondContact NH2-OE2 3.13Å; R20-E27 PolarHBondContact O-N 3.1Å; R20-W42 HydrophobicContact CB-CE3 4.41Å; R20-W42 HydrophobicContact CB-CH2 3.8Å; R20-W42 HydrophobicContact CB-CZ3 3.71Å; R20-W42 HydrophobicContact CG-CD2 4.2Å; R20-W42 HydrophobicContact CG-CE3 3.58Å; R20-W42 HydrophobicContact CG-CH2 3.82Å; R20-W42 HydrophobicContact CG-CZ2 4.41Å; R20-W42 HydrophobicContact CG-CZ3 3.38Å; R20-W42 VanDerWaalsContact CZ-CD1 3.48Å; R20-W42 VanDerWaalsContact NH1-CD1 3.31Å; R20-W42 VanDerWaalsContact NH1-NE1 3.18Å; R20-W42 VanDerWaalsContact NH2-CB 3.3Å
21I97.6Very high97.3Very high134 Ų13472.1 Ų72.169%0.68735%0.354SS*.EExtended strand (participates in β ladder)trans-114.4120.2172.2-58.9172.8000108.4R25 I26I21-R25 WeakPolarHBondContact CA-O 3.48Å; I21-I26 HydrophobicContact CG1-CG1 4.42Å
22R96.5Very high97.4Very high135 Ų13568.3 Ų68.351%0.50934%0.336SS..EExtended strand (participates in β ladder)trans-130.4127.5178-168.2-179.9-177.5-170.21.4109.9G24 R25R22-G24 PolarHBondContact O-N 3.19Å; R22-G24 VanDerWaalsContact O-N 3.1Å; R22-R25 PolarHBondContact N-O 2.94Å; R22-R25 PolarHBondContact O-N 2.9Å
23K95.3Very high97.5Very high196 Ų19670.9 Ų70.985%0.85233%0.334SS*.THydrogen-bonded Turntrans51.533.3-177.9-60.5177.5177.4-179.50113.4R25K23-R25 VanDerWaalsContact C-N 3.26Å; K23-R25 PolarHBondContact O-N 3.38Å
24G96.6Very high97.4Very high72 Ų7272.8 Ų72.874%0.74236%0.357SS*.THydrogen-bonded Turntrans75.76.1-178.500000115.2R22R22-G24 PolarHBondContact O-N 3.19Å; R22-G24 VanDerWaalsContact O-N 3.1Å
25R96.7Very high97.4Very high168 Ų16877.3 Ų77.363%0.63437%0.371SS*.EExtended strand (participates in β ladder)trans-107142.6172.5-63.6-175.1-179.7-173.1-4.3110I21 R22 K23I21-R25 WeakPolarHBondContact CA-O 3.48Å; R22-R25 PolarHBondContact N-O 2.94Å; R22-R25 PolarHBondContact O-N 2.9Å; K23-R25 VanDerWaalsContact C-N 3.26Å; K23-R25 PolarHBondContact O-N 3.38Å
26I97.3Very high97.4Very high57 Ų5778.9 Ų78.929%0.29238%0.382SS..EExtended strand (participates in β ladder)trans-81.8130.4174-57.3174.8000107.5R19 I21 Y28 E45R19-I26 HydrophobicContact CG-CG2 3.84Å; I21-I26 HydrophobicContact CG1-CG1 4.42Å; I26-Y28 HydrophobicContact CB-CE2 4.46Å; I26-Y28 HydrophobicContact CG2-CD2 4.12Å; I26-Y28 HydrophobicContact CG2-CE2 3.45Å; I26-Y28 VanDerWaalsContact CG2-CE2 3.45Å; I26-E45 PolarHBondContact O-N 3.29Å; I26-E45 VanDerWaalsContact O-N 3.13Å
27E97.9Very high97.3Very high33 Ų3381.7 Ų81.715%0.15440%0.401CS..EExtended strand (participates in β ladder)trans-123.4144.7173.5-65173.5178.700108.6R20 W42 E43R20-E27 HydrophobicContact CG-CB 4.09Å; R20-E27 IonicContact CZ-OE2 2.7Å; R20-E27 PolarHBondContact N-O 3.05Å; R20-E27 IonicContact NE-OE2 3.45Å; R20-E27 PolarHBondContact NE-OE2 3.18Å; R20-E27 IonicContact NH2-OE2 3.36Å; R20-E27 PolarHBondContact NH2-OE2 3.13Å; R20-E27 PolarHBondContact O-N 3.1Å; E27-W42 HydrophobicContact CB-CB 4.48Å; E27-W42 HydrophobicContact CB-CE3 4Å; E27-W42 WeakPolarHBondContact O-CZ3 3.49Å; E27-E43 CarbonylContact C-O 3.52Å; E27-E43 VanDerWaalsContact CA-O 3.29Å; E27-E43 WeakPolarHBondContact CA-O 3.42Å
28Y98.1Very high97.3Very high11 Ų1188.5 Ų88.54%0.04343%0.429CS..EExtended strand (participates in β ladder)trans-118.2135.5179.6-69-83.4000109.5I16 K18 R19 I26 V30 W42 E43 E45 F54 F57I16-Y28 HydrophobicContact CD1-CD1 4.17Å; I16-Y28 HydrophobicContact CD1-CG 4.29Å; I16-Y28 HydrophobicContact CG2-CD1 3.6Å; I16-Y28 HydrophobicContact CG2-CE1 4.49Å; I16-Y28 HydrophobicContact CG2-CG 4.22Å; K18-Y28 CarbonylContact O-C 3.55Å; K18-Y28 WeakPolarHBondContact O-CA 3.3Å; R19-Y28 HydrophobicContact CB-CD1 3.92Å; R19-Y28 HydrophobicContact CB-CE1 3.88Å; R19-Y28 HydrophobicContact CG-CD1 4.04Å; R19-Y28 HydrophobicContact CG-CE1 3.68Å; I26-Y28 HydrophobicContact CB-CE2 4.46Å; I26-Y28 HydrophobicContact CG2-CD2 4.12Å; I26-Y28 HydrophobicContact CG2-CE2 3.45Å; I26-Y28 VanDerWaalsContact CG2-CE2 3.45Å; Y28-V30 PolarHBondContact O-N 3.13Å; Y28-W42 CarbonylContact O-C 3.6Å; Y28-W42 WeakPolarHBondContact O-CA 3.24Å; Y28-E43 PolarHBondContact N-O 2.95Å; Y28-E43 PolarHBondContact O-N 2.82Å; Y28-E45 HydrophobicContact CD2-CB 4.38Å; Y28-E45 HydrophobicContact CE2-CB 3.97Å; Y28-E45 HydrophobicContact CE2-CG 4.07Å; Y28-F54 HydrophobicContact CD1-CE1 4.43Å; Y28-F54 AromaticContact CD2-CE1 3.74Å; Y28-F54 HydrophobicContact CD2-CE1 3.74Å; Y28-F54 HydrophobicContact CD2-CZ 4.49Å; Y28-F54 HydrophobicContact CE1-CD1 4.19Å; Y28-F54 HydrophobicContact CE1-CE1 4.1Å; Y28-F54 HydrophobicContact CE2-CD1 4.24Å; Y28-F54 AromaticContact CE2-CE1 3.42Å; Y28-F54 HydrophobicContact CE2-CE1 3.42Å; Y28-F54 VanDerWaalsContact CE2-CE1 3.42Å; Y28-F54 HydrophobicContact CE2-CZ 4.21Å; Y28-F54 HydrophobicContact CG-CE1 4.22Å; Y28-F54 AromaticContact CZ-CD1 3.93Å; Y28-F54 AromaticContact CZ-CE1 3.59Å; Y28-F57 HydrophobicContact CD1-CE1 4.45Å; Y28-F57 HydrophobicContact CE1-CD1 4.09Å; Y28-F57 HydrophobicContact CE1-CE1 4.03Å
29L98.2Very high97.3Very high27 Ų2790.9 Ų90.914%0.14144%0.437CS..EExtended strand (participates in β ladder)trans-82.7111.4172.7-175.962.6000108.3I17 K18 T41 W42I17-L29 HydrophobicContact CB-CD2 4.33Å; I17-L29 HydrophobicContact CB-CG 4.44Å; I17-L29 HydrophobicContact CD1-CD2 4.48Å; I17-L29 HydrophobicContact CD1-CG 4.48Å; I17-L29 PolarHBondContact N-O 2.89Å; K18-L29 HydrophobicContact CB-CB 4.11Å; K18-L29 HydrophobicContact CB-CD2 4.32Å; K18-L29 HydrophobicContact CG-CD2 4.48Å; K18-L29 PolarHBondContact O-N 2.94Å; L29-T41 WeakPolarHBondContact CA-O 3.45Å; L29-W42 HydrophobicContact CB-CD2 4.02Å; L29-W42 HydrophobicContact CB-CE3 3.95Å; L29-W42 HydrophobicContact CB-CH2 3.85Å; L29-W42 HydrophobicContact CB-CZ2 3.91Å; L29-W42 HydrophobicContact CB-CZ3 3.85Å; L29-W42 HydrophobicContact CD1-CD2 4.21Å; L29-W42 HydrophobicContact CD1-CG 4.24Å; L29-W42 HydrophobicContact CD2-CZ2 4.25Å; L29-W42 HydrophobicContact CG-CZ2 4.47Å
30V98.4Very high97.4Very high0 Ų085.9 Ų85.90%042%0.421CS..EExtended strand (participates in β ladder)trans-99.8123.7-172.9-177.90000110.5A13 Y28 W32 S40 T41 E43 I48A13-V30 HydrophobicContact CB-CG1 3.49Å; A13-V30 VanDerWaalsContact CB-CG1 3.49Å; Y28-V30 PolarHBondContact O-N 3.13Å; V30-W32 HydrophobicContact CB-CH2 4.49Å; V30-W32 HydrophobicContact CB-CZ2 4.23Å; V30-W32 HydrophobicContact CG1-CD2 4.15Å; V30-W32 HydrophobicContact CG1-CE3 4.03Å; V30-W32 HydrophobicContact CG1-CH2 4.12Å; V30-W32 HydrophobicContact CG1-CZ2 4.23Å; V30-W32 HydrophobicContact CG1-CZ3 4.01Å; V30-S40 WeakPolarHBondContact O-CA 3.38Å; V30-S40 WeakPolarHBondContact O-CB 3.36Å; V30-S40 PolarHBondContact O-OG 2.95Å; V30-T41 PolarHBondContact N-O 2.84Å; V30-T41 PolarHBondContact O-N 2.79Å; V30-E43 HydrophobicContact CG2-CB 4.02Å; V30-E43 HydrophobicContact CG2-CG 3.99Å; V30-I48 HydrophobicContact CG2-CD1 3.48Å; V30-I48 VanDerWaalsContact CG2-CD1 3.48Å
31K98.3Very high97.4Very high25 Ų2584.6 Ų84.611%0.10942%0.422CS..EExtended strand (participates in β ladder)trans-76.7117.3166.4-167.7-179.6177.5-171.80108.2E14 S15 I17E14-K31 HydrophobicContact CB-CB 4.4Å; E14-K31 HydrophobicContact CB-CD 4.42Å; E14-K31 HydrophobicContact CB-CG 4.33Å; E14-K31 HydrophobicContact CG-CD 4.4Å; E14-K31 PolarHBondContact N-O 2.7Å; E14-K31 WeakPolarHBondContact OE1-CD 3.45Å; E14-K31 WeakPolarHBondContact OE1-CE 3.46Å; E14-K31 IonicContact OE1-NZ 3.15Å; E14-K31 PolarHBondContact OE1-NZ 3.5Å; S15-K31 PolarHBondContact N-O 2.94Å; S15-K31 PolarHBondContact O-N 3.38Å; I17-K31 HydrophobicContact CD1-CB 3.88Å; I17-K31 HydrophobicContact CD1-CG 4.42Å; I17-K31 HydrophobicContact CG1-CB 3.92Å
32W98.2Very high97.4Very high47 Ų4782 Ų8218%0.17840%0.404CS..EExtended strand (participates in β ladder)trans-82.7139.8-178.7-62.7110.9000111.6F11 A13 V30 G34 W35 T41 E43F11-W32 HydrophobicContact CB-CE3 3.94Å; F11-W32 HydrophobicContact CB-CZ3 3.78Å; A13-W32 HydrophobicContact CB-CE3 4.31Å; A13-W32 HydrophobicContact CB-CZ3 4.31Å; V30-W32 HydrophobicContact CB-CH2 4.49Å; V30-W32 HydrophobicContact CB-CZ2 4.23Å; V30-W32 HydrophobicContact CG1-CD2 4.15Å; V30-W32 HydrophobicContact CG1-CE3 4.03Å; V30-W32 HydrophobicContact CG1-CH2 4.12Å; V30-W32 HydrophobicContact CG1-CZ2 4.23Å; V30-W32 HydrophobicContact CG1-CZ3 4.01Å; W32-G34 PolarHBondContact O-N 3.4Å; W32-W35 HydrophobicContact CB-CB 4.05Å; W32-W35 HydrophobicContact CB-CG 4.15Å; W32-W35 PolarHBondContact O-N 3.08Å; W32-W35 VanDerWaalsContact O-N 3.13Å; W32-T41 VanDerWaalsContact CZ2-OG1 3.3Å; W32-T41 WeakPolarHBondContact CZ2-OG1 3.34Å; W32-T41 PolarHBondContact NE1-OG1 2.82Å; W32-E43 HydrophobicContact CH2-CG 4.05Å; W32-E43 HydrophobicContact CZ2-CG 3.77Å
33K97.9Very high97.5Very high124 Ų12477.6 Ų77.654%0.53939%0.389SS..THydrogen-bonded Turntrans-65.3125.1-176-173.963.6-170.5166.10111A12 E14 W35A12-K33 HydrophobicContact CB-CB 3.91Å; A12-K33 WeakPolarHBondContact O-CB 3.4Å; A12-K33 PolarHBondContact O-N 3.17Å; E14-K33 HydrophobicContact CB-CD 4.13Å; E14-K33 HydrophobicContact CG-CD 4.26Å; E14-K33 WeakPolarHBondContact OE2-CD 3.38Å; E14-K33 IonicContact OE2-NZ 3.47Å; E14-K33 PolarHBondContact OE2-NZ 3.45Å; K33-W35 VanDerWaalsContact C-N 3.27Å; K33-W35 PolarHBondContact O-N 3.14Å
34G96.9Very high97.5Very high74 Ų7470 Ų7076%0.76336%0.36SS*.THydrogen-bonded Turntrans77.110.9179.800000114.5W32W32-G34 PolarHBondContact O-N 3.4Å
35W96.6Very high97.5Very high161 Ų16171.2 Ų71.261%0.6135%0.346SS*.SBendtrans-115.8149171.5-64.579.9000109.4W32 K33 Y39W32-W35 HydrophobicContact CB-CB 4.05Å; W32-W35 HydrophobicContact CB-CG 4.15Å; W32-W35 PolarHBondContact O-N 3.08Å; W32-W35 VanDerWaalsContact O-N 3.13Å; K33-W35 VanDerWaalsContact C-N 3.27Å; K33-W35 PolarHBondContact O-N 3.14Å; W35-Y39 HydrophobicContact CE3-CD2 4.03Å; W35-Y39 HydrophobicContact CE3-CG 4.16Å
36S97.8Very high97.4Very high59 Ų5970.5 Ų70.541%0.41335%0.35SS..  trans-67.1153.7174.9650000111.2K38 Y39S36-K38 PolarHBondContact O-N 3.38Å; S36-Y39 PolarHBondContact O-N 3.18Å; S36-Y39 VanDerWaalsContact OG-CD2 3.27Å; S36-Y39 WeakPolarHBondContact OG-CD2 3.02Å; S36-Y39 WeakPolarHBondContact OG-CE2 3.34Å
37P96.8Very high97.4Very high65 Ų6572.1 Ų72.142%0.42236%0.359SS..G310 helixtrans-53.2-27.1178-26.733.1000113.9Y39 S40P37-Y39 PolarHBondContact O-N 3.22Å; P37-Y39 VanDerWaalsContact O-N 3.17Å; P37-S40 WeakPolarHBondContact O-CB 3.33Å; P37-S40 PolarHBondContact O-N 3.4Å; P37-S40 PolarHBondContact O-OG 3.22Å
38K97.4Very high97.3Very high180 Ų18071.5 Ų71.578%0.78336%0.357SS*.G310 helixtrans-57.1-28176.1-175.1173.6-178.4172.50114.3S36S36-K38 PolarHBondContact O-N 3.38Å
39Y97.4Very high97.2Very high135 Ų13577.3 Ų77.353%0.52939%0.388SS..G310 helixtrans-95.19.8178.4-60.5-73.8000113.2W35 S36 P37W35-Y39 HydrophobicContact CE3-CD2 4.03Å; W35-Y39 HydrophobicContact CE3-CG 4.16Å; S36-Y39 PolarHBondContact O-N 3.18Å; S36-Y39 VanDerWaalsContact OG-CD2 3.27Å; S36-Y39 WeakPolarHBondContact OG-CD2 3.02Å; S36-Y39 WeakPolarHBondContact OG-CE2 3.34Å; P37-Y39 PolarHBondContact O-N 3.22Å; P37-Y39 VanDerWaalsContact O-N 3.17Å
40S98.1Very high97.1Very high20 Ų2078.6 Ų78.614%0.1440%0.395CS..  trans-61.6140.8176.2-570000110.8I17 V30 P37I17-S40 WeakPolarHBondContact CD1-OG 3.26Å; V30-S40 WeakPolarHBondContact O-CA 3.38Å; V30-S40 WeakPolarHBondContact O-CB 3.36Å; V30-S40 PolarHBondContact O-OG 2.95Å; P37-S40 WeakPolarHBondContact O-CB 3.33Å; P37-S40 PolarHBondContact O-N 3.4Å; P37-S40 PolarHBondContact O-OG 3.22Å
41T97.9Very high97Very high54 Ų5482 Ų8233%0.33142%0.423SS..EExtended strand (participates in β ladder)trans-120.9153.8-178.958.40000111.4L29 V30 W32 E43L29-T41 WeakPolarHBondContact CA-O 3.45Å; V30-T41 PolarHBondContact N-O 2.84Å; V30-T41 PolarHBondContact O-N 2.79Å; W32-T41 VanDerWaalsContact CZ2-OG1 3.3Å; W32-T41 WeakPolarHBondContact CZ2-OG1 3.34Å; W32-T41 PolarHBondContact NE1-OG1 2.82Å; T41-E43 PolarHBondContact O-N 2.9Å; T41-E43 PolarHBondContact OG1-OE1 2.94Å
42W98.1Very high97Very high79 Ų7989.7 Ų89.730%0.29945%0.452SS..EExtended strand (participates in β ladder)trans-85.4106.1175.2-72.995.2000109.6K18 R20 E27 Y28 L29K18-W42 HydrophobicContact CB-CH2 3.84Å; K18-W42 HydrophobicContact CB-CZ2 4.48Å; R20-W42 HydrophobicContact CB-CE3 4.41Å; R20-W42 HydrophobicContact CB-CH2 3.8Å; R20-W42 HydrophobicContact CB-CZ3 3.71Å; R20-W42 HydrophobicContact CG-CD2 4.2Å; R20-W42 HydrophobicContact CG-CE3 3.58Å; R20-W42 HydrophobicContact CG-CH2 3.82Å; R20-W42 HydrophobicContact CG-CZ2 4.41Å; R20-W42 HydrophobicContact CG-CZ3 3.38Å; R20-W42 VanDerWaalsContact CZ-CD1 3.48Å; R20-W42 VanDerWaalsContact NH1-CD1 3.31Å; R20-W42 VanDerWaalsContact NH1-NE1 3.18Å; R20-W42 VanDerWaalsContact NH2-CB 3.3Å; E27-W42 HydrophobicContact CB-CB 4.48Å; E27-W42 HydrophobicContact CB-CE3 4Å; E27-W42 WeakPolarHBondContact O-CZ3 3.49Å; Y28-W42 CarbonylContact O-C 3.6Å; Y28-W42 WeakPolarHBondContact O-CA 3.24Å; L29-W42 HydrophobicContact CB-CD2 4.02Å; L29-W42 HydrophobicContact CB-CE3 3.95Å; L29-W42 HydrophobicContact CB-CH2 3.85Å; L29-W42 HydrophobicContact CB-CZ2 3.91Å; L29-W42 HydrophobicContact CB-CZ3 3.85Å; L29-W42 HydrophobicContact CD1-CD2 4.21Å; L29-W42 HydrophobicContact CD1-CG 4.24Å; L29-W42 HydrophobicContact CD2-CZ2 4.25Å; L29-W42 HydrophobicContact CG-CZ2 4.47Å
43E97.1Very high97Very high43 Ų4388.7 Ų88.720%0.20145%0.449CS..EExtended strand (participates in β ladder)trans-104.1139.6179.1-62.4-56.5138.500110.4E27 Y28 V30 W32 T41 N47 I48E27-E43 CarbonylContact C-O 3.52Å; E27-E43 VanDerWaalsContact CA-O 3.29Å; E27-E43 WeakPolarHBondContact CA-O 3.42Å; Y28-E43 PolarHBondContact N-O 2.95Å; Y28-E43 PolarHBondContact O-N 2.82Å; V30-E43 HydrophobicContact CG2-CB 4.02Å; V30-E43 HydrophobicContact CG2-CG 3.99Å; W32-E43 HydrophobicContact CH2-CG 4.05Å; W32-E43 HydrophobicContact CZ2-CG 3.77Å; T41-E43 PolarHBondContact O-N 2.9Å; T41-E43 PolarHBondContact OG1-OE1 2.94Å; E43-N47 HydrophobicContact CB-CB 4.24Å; E43-N47 PolarHBondContact OE2-ND2 2.78Å; E43-I48 HydrophobicContact CB-CD1 4.02Å
44P96.8Very high97Very high36 Ų3684.6 Ų84.623%0.23443%0.432CS..EExtended strand (participates in β ladder)trans-63.1154.8173.529.2-35.4000111E46 N47P44-E46 PolarHBondContact O-N 3.32Å; P44-E46 VanDerWaalsContact O-N 3.13Å; P44-N47 WeakPolarHBondContact CD-ND2 3.27Å; P44-N47 HydrophobicContact CG-CB 3.99Å; P44-N47 WeakPolarHBondContact O-CB 3.46Å; P44-N47 PolarHBondContact O-N 3.48Å
45E96.1Very high97Very high98 Ų9883.8 Ų83.846%0.45842%0.418SS..G310 helixtrans-49.4-39.8175.6-175.3-179.8169.300112.7I26 Y28 N47 I48 F54I26-E45 PolarHBondContact O-N 3.29Å; I26-E45 VanDerWaalsContact O-N 3.13Å; Y28-E45 HydrophobicContact CD2-CB 4.38Å; Y28-E45 HydrophobicContact CE2-CB 3.97Å; Y28-E45 HydrophobicContact CE2-CG 4.07Å; E45-N47 PolarHBondContact O-N 2.97Å; E45-I48 PolarHBondContact O-N 2.84Å; E45-F54 HydrophobicContact CG-CZ 4.04Å
46E94.9Very high97Very high153 Ų15379.1 Ų79.172%0.71541%0.414SS*.G310 helixtrans-61.6-25.2179.6-62.5170.1-165.700113.8P44P44-E46 PolarHBondContact O-N 3.32Å; P44-E46 VanDerWaalsContact O-N 3.13Å
47N95.8Very high96.9Very high90 Ų9076.5 Ų76.548%0.48140%0.395SS..G310 helixtrans-83.4-14.7-179.4-78.76.4000113E43 P44 E45 L49E43-N47 HydrophobicContact CB-CB 4.24Å; E43-N47 PolarHBondContact OE2-ND2 2.78Å; P44-N47 WeakPolarHBondContact CD-ND2 3.27Å; P44-N47 HydrophobicContact CG-CB 3.99Å; P44-N47 WeakPolarHBondContact O-CB 3.46Å; P44-N47 PolarHBondContact O-N 3.48Å; E45-N47 PolarHBondContact O-N 2.97Å; N47-L49 PolarHBondContact O-N 3.35Å
48I96Very high96.8Very high20 Ų2078.2 Ų78.210%0.10340%0.397CS..  trans-88.7104.9-177.5-48.3-57.2000109.2I16 V30 E43 E45 L53 F54I16-I48 HydrophobicContact CD1-CG2 4.3Å; V30-I48 HydrophobicContact CG2-CD1 3.48Å; V30-I48 VanDerWaalsContact CG2-CD1 3.48Å; E43-I48 HydrophobicContact CB-CD1 4.02Å; E45-I48 PolarHBondContact O-N 2.84Å; I48-L53 HydrophobicContact CG2-CB 4.41Å; I48-L53 HydrophobicContact CG2-CD1 4.11Å; I48-F54 HydrophobicContact CB-CE1 4.13Å; I48-F54 HydrophobicContact CB-CE2 3.91Å; I48-F54 HydrophobicContact CB-CZ 3.44Å; I48-F54 VanDerWaalsContact CB-CZ 3.44Å; I48-F54 HydrophobicContact CG1-CE1 4.18Å; I48-F54 HydrophobicContact CG1-CZ 3.88Å; I48-F54 HydrophobicContact CG2-CD2 4.49Å; I48-F54 HydrophobicContact CG2-CE1 4.12Å; I48-F54 HydrophobicContact CG2-CE2 3.85Å; I48-F54 HydrophobicContact CG2-CZ 3.68Å
49L96.5Very high96.7Very high133 Ų13374.4 Ų74.470%0.69638%0.382SS*.  trans-86.8-17.9-173.4-54.2-179.6000114V10 N47V10-L49 HydrophobicContact CG1-CD1 4.12Å; V10-L49 HydrophobicContact CG2-CD1 3.9Å; N47-L49 PolarHBondContact O-N 3.35Å
50D96.6Very high96.5Very high54 Ų5472.7 Ų72.729%0.28938%0.375SS..  trans-103108.3-178.3-169.2-15.3000111.3R52 L53D50-R52 PolarHBondContact O-N 3.47Å; D50-R52 VanDerWaalsContact O-N 3.16Å; D50-R52 VanDerWaalsContact OD1-CB 3.26Å; D50-R52 WeakPolarHBondContact OD1-CB 3.25Å; D50-R52 WeakPolarHBondContact OD1-CG 3.28Å; D50-R52 PolarHBondContact OD1-N 2.82Å; D50-R52 IonicContact OD1-NE 2.73Å; D50-R52 PolarHBondContact OD1-NE 3.45Å; D50-R52 VanDerWaalsContact OD1-NE 3.15Å; D50-R52 IonicContact OD2-CZ 2.79Å; D50-R52 IonicContact OD2-NE 2.7Å; D50-R52 PolarHBondContact OD2-NE 2.87Å; D50-R52 VanDerWaalsContact OD2-NE 3.13Å; D50-R52 IonicContact OD2-NH2 3.16Å; D50-R52 PolarHBondContact OD2-NH2 3.38Å; D50-L53 HydrophobicContact CB-CD1 4.06Å; D50-L53 HydrophobicContact CB-CG 4.22Å; D50-L53 WeakPolarHBondContact O-CB 3.45Å; D50-L53 PolarHBondContact O-N 2.76Å; D50-L53 VanDerWaalsContact O-N 3.17Å
51A96.6Very high96.2Very high72 Ų7274.5 Ų74.560%0.59538%0.381SS*.Hα-helixtrans-61.8-21.6179.600000113.9L53 F54 A55A51-L53 PolarHBondContact O-N 3.38Å; A51-F54 PolarHBondContact O-N 3.06Å; A51-A55 PolarHBondContact O-N 2.68Å; A51-A55 VanDerWaalsContact O-N 3.1Å
52R97.6Very high95.9Very high187 Ų18779 Ų7971%0.70639%0.392SS*.Hα-helixtrans-66.3-31.1178.4-61.3178.8-62.9167.95.1111.8D50 F54 A55 A56D50-R52 PolarHBondContact O-N 3.47Å; D50-R52 VanDerWaalsContact O-N 3.16Å; D50-R52 VanDerWaalsContact OD1-CB 3.26Å; D50-R52 WeakPolarHBondContact OD1-CB 3.25Å; D50-R52 WeakPolarHBondContact OD1-CG 3.28Å; D50-R52 PolarHBondContact OD1-N 2.82Å; D50-R52 IonicContact OD1-NE 2.73Å; D50-R52 PolarHBondContact OD1-NE 3.45Å; D50-R52 VanDerWaalsContact OD1-NE 3.15Å; D50-R52 IonicContact OD2-CZ 2.79Å; D50-R52 IonicContact OD2-NE 2.7Å; D50-R52 PolarHBondContact OD2-NE 2.87Å; D50-R52 VanDerWaalsContact OD2-NE 3.13Å; D50-R52 IonicContact OD2-NH2 3.16Å; D50-R52 PolarHBondContact OD2-NH2 3.38Å; R52-F54 VanDerWaalsContact C-N 3.32Å; R52-A55 PolarHBondContact O-N 2.86Å; R52-A56 WeakPolarHBondContact O-CB 3.34Å; R52-A56 PolarHBondContact O-N 2.95Å
53L97.6Very high95.6Very high25 Ų2580.2 Ų80.213%0.13140%0.401CS..Hα-helixtrans-64-40.5176.6-64.6172.2000110.8A13 I16 I48 D50 A51 F57A13-L53 HydrophobicContact CB-CD1 3.88Å; I16-L53 HydrophobicContact CD1-CB 3.87Å; I16-L53 HydrophobicContact CG1-CB 4.13Å; I48-L53 HydrophobicContact CG2-CB 4.41Å; I48-L53 HydrophobicContact CG2-CD1 4.11Å; D50-L53 HydrophobicContact CB-CD1 4.06Å; D50-L53 HydrophobicContact CB-CG 4.22Å; D50-L53 WeakPolarHBondContact O-CB 3.45Å; D50-L53 PolarHBondContact O-N 2.76Å; D50-L53 VanDerWaalsContact O-N 3.17Å; A51-L53 PolarHBondContact O-N 3.38Å; L53-F57 VanDerWaalsContact O-CB 3.28Å; L53-F57 WeakPolarHBondContact O-CB 3.47Å; L53-F57 PolarHBondContact O-N 3.28Å
54F97.6Very high95.2Very high38 Ų3883.9 Ų83.917%0.16741%0.413CS..Hα-helixtrans-65.5-47.2173.6-64.7-53.8000112I16 Y28 E45 I48 A51 R52 A56 F57 E58I16-F54 HydrophobicContact CD1-CD1 3.67Å; I16-F54 HydrophobicContact CD1-CE1 3.84Å; Y28-F54 HydrophobicContact CD1-CE1 4.43Å; Y28-F54 AromaticContact CD2-CE1 3.74Å; Y28-F54 HydrophobicContact CD2-CE1 3.74Å; Y28-F54 HydrophobicContact CD2-CZ 4.49Å; Y28-F54 HydrophobicContact CE1-CD1 4.19Å; Y28-F54 HydrophobicContact CE1-CE1 4.1Å; Y28-F54 HydrophobicContact CE2-CD1 4.24Å; Y28-F54 AromaticContact CE2-CE1 3.42Å; Y28-F54 HydrophobicContact CE2-CE1 3.42Å; Y28-F54 VanDerWaalsContact CE2-CE1 3.42Å; Y28-F54 HydrophobicContact CE2-CZ 4.21Å; Y28-F54 HydrophobicContact CG-CE1 4.22Å; Y28-F54 AromaticContact CZ-CD1 3.93Å; Y28-F54 AromaticContact CZ-CE1 3.59Å; E45-F54 HydrophobicContact CG-CZ 4.04Å; I48-F54 HydrophobicContact CB-CE1 4.13Å; I48-F54 HydrophobicContact CB-CE2 3.91Å; I48-F54 HydrophobicContact CB-CZ 3.44Å; I48-F54 VanDerWaalsContact CB-CZ 3.44Å; I48-F54 HydrophobicContact CG1-CE1 4.18Å; I48-F54 HydrophobicContact CG1-CZ 3.88Å; I48-F54 HydrophobicContact CG2-CD2 4.49Å; I48-F54 HydrophobicContact CG2-CE1 4.12Å; I48-F54 HydrophobicContact CG2-CE2 3.85Å; I48-F54 HydrophobicContact CG2-CZ 3.68Å; A51-F54 PolarHBondContact O-N 3.06Å; R52-F54 VanDerWaalsContact C-N 3.32Å; F54-A56 VanDerWaalsContact C-N 3.33Å; F54-A56 PolarHBondContact O-N 2.68Å; F54-F57 PolarHBondContact O-N 3.05Å; F54-E58 WeakPolarHBondContact O-CB 3.36Å; F54-E58 WeakPolarHBondContact O-CG 3.49Å; F54-E58 PolarHBondContact O-N 2.73Å
55A96.9Very high94.7Very high58 Ų5890.1 Ų90.148%0.47944%0.439SS..Hα-helixtrans-59.9-43.6179.800000112A51 R52 Q59A51-A55 PolarHBondContact O-N 2.68Å; A51-A55 VanDerWaalsContact O-N 3.1Å; R52-A55 PolarHBondContact O-N 2.86Å; A55-Q59 VanDerWaalsContact O-CB 3.24Å; A55-Q59 WeakPolarHBondContact O-CB 3.46Å; A55-Q59 PolarHBondContact O-N 2.77Å
56A96.6Very high93.9Very high62 Ų6290.1 Ų90.151%0.51244%0.441SS..Hα-helixtrans-63.7-44176.400000111.7R52 F54 Q59 R60R52-A56 WeakPolarHBondContact O-CB 3.34Å; R52-A56 PolarHBondContact O-N 2.95Å; F54-A56 VanDerWaalsContact C-N 3.33Å; F54-A56 PolarHBondContact O-N 2.68Å; A56-Q59 PolarHBondContact O-N 2.8Å; A56-R60 WeakPolarHBondContact O-CB 3.36Å; A56-R60 PolarHBondContact O-N 3.16Å
57F96.9Very high93.1Very high5 Ų590.9 Ų90.92%0.02244%0.439CS..Hα-helixtrans-63.7-48.2177.6176.4-103.9000112.5I16 R19 Y28 L53 F54 Q59 R60 E61I16-F57 HydrophobicContact CB-CB 4.04Å; I16-F57 HydrophobicContact CB-CD2 4.12Å; I16-F57 HydrophobicContact CB-CG 4.15Å; I16-F57 HydrophobicContact CG2-CB 4.14Å; I16-F57 HydrophobicContact CG2-CD1 4.25Å; I16-F57 HydrophobicContact CG2-CD2 3.55Å; I16-F57 HydrophobicContact CG2-CE2 4Å; I16-F57 HydrophobicContact CG2-CG 3.69Å; I16-F57 WeakPolarHBondContact O-CD2 3.46Å; R19-F57 HydrophobicContact CB-CE1 3.73Å; R19-F57 HydrophobicContact CB-CZ 3.63Å; Y28-F57 HydrophobicContact CD1-CE1 4.45Å; Y28-F57 HydrophobicContact CE1-CD1 4.09Å; Y28-F57 HydrophobicContact CE1-CE1 4.03Å; L53-F57 VanDerWaalsContact O-CB 3.28Å; L53-F57 WeakPolarHBondContact O-CB 3.47Å; L53-F57 PolarHBondContact O-N 3.28Å; F54-F57 PolarHBondContact O-N 3.05Å; F57-Q59 VanDerWaalsContact C-N 3.29Å; F57-Q59 PolarHBondContact O-N 2.95Å; F57-R60 PolarHBondContact O-N 3.15Å; F57-E61 HydrophobicContact CD1-CG 4.24Å; F57-E61 HydrophobicContact CD2-CG 4.3Å; F57-E61 HydrophobicContact CE1-CG 3.75Å; F57-E61 HydrophobicContact CE2-CG 3.81Å; F57-E61 HydrophobicContact CG-CG 4.5Å; F57-E61 HydrophobicContact CZ-CG 3.5Å; F57-E61 WeakPolarHBondContact O-CB 3.3Å; F57-E61 WeakPolarHBondContact O-CG 3.45Å; F57-E61 PolarHBondContact O-N 3.33Å
58E95.4Very high92.2Very high100 Ų10087.6 Ų87.647%0.46743%0.427SS..Hα-helixtrans-64.1-35.7178.6-72.3-175.7171.800112.5F54 R62F54-E58 WeakPolarHBondContact O-CB 3.36Å; F54-E58 WeakPolarHBondContact O-CG 3.49Å; F54-E58 PolarHBondContact O-N 2.73Å; E58-R62 VanDerWaalsContact O-CB 3.3Å; E58-R62 WeakPolarHBondContact O-CB 3.37Å; E58-R62 PolarHBondContact O-N 2.86Å
59Q94.6Very high91Very high101 Ų10192.9 Ų92.947%0.47246%0.462SS..Hα-helixtrans-64.6-47.2174.7-17961.123.700110.7A55 A56 F57 R62 E63A55-Q59 VanDerWaalsContact O-CB 3.24Å; A55-Q59 WeakPolarHBondContact O-CB 3.46Å; A55-Q59 PolarHBondContact O-N 2.77Å; A56-Q59 PolarHBondContact O-N 2.8Å; F57-Q59 VanDerWaalsContact C-N 3.29Å; F57-Q59 PolarHBondContact O-N 2.95Å; Q59-R62 PolarHBondContact O-N 2.68Å; Q59-E63 WeakPolarHBondContact O-CB 3.45Å; Q59-E63 PolarHBondContact O-N 3.34Å
60R93.3Very high89.5Confident99 Ų9994.3 Ų94.337%0.37446%0.463SS..Hα-helixtrans-60.4-45.6175.8-177.2-173.4-67.7-165.8-9.1111.9A56 F57 R62 E63 R64A56-R60 WeakPolarHBondContact O-CB 3.36Å; A56-R60 PolarHBondContact O-N 3.16Å; F57-R60 PolarHBondContact O-N 3.15Å; R60-R62 PolarHBondContact O-N 3.17Å; R60-E63 PolarHBondContact O-N 3.1Å; R60-R64 WeakPolarHBondContact O-CB 3.13Å; R60-R64 PolarHBondContact O-N 3.19Å
61E91.6Very high87.8Confident57 Ų57101.1 Ų101.127%0.26649%0.49SS..Hα-helixtrans-61-44.6177-74.9-75.489.200111.3F57 E63 R64 E65F57-E61 HydrophobicContact CD1-CG 4.24Å; F57-E61 HydrophobicContact CD2-CG 4.3Å; F57-E61 HydrophobicContact CE1-CG 3.75Å; F57-E61 HydrophobicContact CE2-CG 3.81Å; F57-E61 HydrophobicContact CG-CG 4.5Å; F57-E61 HydrophobicContact CZ-CG 3.5Å; F57-E61 WeakPolarHBondContact O-CB 3.3Å; F57-E61 WeakPolarHBondContact O-CG 3.45Å; F57-E61 PolarHBondContact O-N 3.33Å; E61-E63 VanDerWaalsContact C-N 3.34Å; E61-E63 PolarHBondContact O-N 3.26Å; E61-R64 PolarHBondContact O-N 3.39Å; E61-E65 WeakPolarHBondContact O-CG 3.45Å; E61-E65 PolarHBondContact O-N 3.01Å
62R92.2Very high86.1Confident150 Ų150109.2 Ų109.257%0.56651%0.505SS*.Hα-helixtrans-63.3-41176178.9-175.2-64.8160.33.5112.1E58 Q59 R60 E65 L66E58-R62 VanDerWaalsContact O-CB 3.3Å; E58-R62 WeakPolarHBondContact O-CB 3.37Å; E58-R62 PolarHBondContact O-N 2.86Å; Q59-R62 PolarHBondContact O-N 2.68Å; R60-R62 PolarHBondContact O-N 3.17Å; R62-E65 PolarHBondContact O-N 3.39Å; R62-L66 WeakPolarHBondContact O-CB 3.43Å; R62-L66 PolarHBondContact O-N 2.9Å
63E90.8Very high84.8Confident103 Ų103102.4 Ų102.448%0.48149%0.493SS..Hα-helixtrans-64.7-45.2178.2-173.3166.8-169.100110.8Q59 R60 E61 E65 L66 Y67Q59-E63 WeakPolarHBondContact O-CB 3.45Å; Q59-E63 PolarHBondContact O-N 3.34Å; R60-E63 PolarHBondContact O-N 3.1Å; E61-E63 VanDerWaalsContact C-N 3.34Å; E61-E63 PolarHBondContact O-N 3.26Å; E63-E65 VanDerWaalsContact C-N 3.3Å; E63-E65 PolarHBondContact O-N 2.86Å; E63-L66 PolarHBondContact O-N 3.25Å; E63-Y67 HydrophobicContact CG-CD2 3.78Å; E63-Y67 HydrophobicContact CG-CE2 4.33Å; E63-Y67 WeakPolarHBondContact O-CB 3.42Å; E63-Y67 WeakPolarHBondContact O-CD2 3.31Å; E63-Y67 PolarHBondContact O-N 3.01Å
64R88Confident83.5Confident120 Ų120107.5 Ų107.545%0.45353%0.528SS..Hα-helixtrans-59.9-36.8171.5-173.1-176.8-72.3-119.21.8112.1R60 E61 L66 G68 E206R60-R64 WeakPolarHBondContact O-CB 3.13Å; R60-R64 PolarHBondContact O-N 3.19Å; E61-R64 PolarHBondContact O-N 3.39Å; R64-L66 VanDerWaalsContact C-N 3.35Å; R64-G68 WeakPolarHBondContact O-CA 3.21Å; R64-G68 PolarHBondContact O-N 2.86Å; R64-E206 IonicContact CZ-OE1 2.9Å; R64-E206 IonicContact NH1-OE1 3.69Å; R64-E206 PolarHBondContact NH1-OE1 3.13Å; R64-E206 IonicContact NH2-OE1 2.7Å; R64-E206 PolarHBondContact NH2-OE1 2.7Å
65E86.3Confident81.9Confident167 Ų167114.6 Ų114.678%0.7856%0.559SS**Hα-helixtrans-67.7-34173.4-75.7178.9175.300112.9E61 R62 E63E61-E65 WeakPolarHBondContact O-CG 3.45Å; E61-E65 PolarHBondContact O-N 3.01Å; R62-E65 PolarHBondContact O-N 3.39Å; E63-E65 VanDerWaalsContact C-N 3.3Å; E63-E65 PolarHBondContact O-N 2.86Å
66L81.1Confident80.2Confident98 Ų98117.5 Ų117.551%0.51357%0.572SS.*Hα-helixtrans-83.9-37.6-176-173.760.6000113.2R62 E63 R64 K70R62-L66 WeakPolarHBondContact O-CB 3.43Å; R62-L66 PolarHBondContact O-N 2.9Å; E63-L66 PolarHBondContact O-N 3.25Å; R64-L66 VanDerWaalsContact C-N 3.35Å; L66-K70 WeakPolarHBondContact O-CE 3.15Å
67Y76.3Confident78.6Confident169 Ų169123 Ų12366%0.66359%0.585SS**Hα-helixtrans-116.3-9.7-173.3-64.3-80.9000114.3E63E63-Y67 HydrophobicContact CG-CD2 3.78Å; E63-Y67 HydrophobicContact CG-CE2 4.33Å; E63-Y67 WeakPolarHBondContact O-CB 3.42Å; E63-Y67 WeakPolarHBondContact O-CD2 3.31Å; E63-Y67 PolarHBondContact O-N 3.01Å
68G78.2Confident77.1Confident22 Ų22127.1 Ų127.123%0.22761%0.61CS.*SBendtrans-56161.6175.900000111.4R64 K70R64-G68 WeakPolarHBondContact O-CA 3.21Å; R64-G68 PolarHBondContact O-N 2.86Å; G68-K70 VanDerWaalsContact C-N 3.33Å; G68-K70 PolarHBondContact O-N 3.4Å
69P70.2Confident75.4Confident130 Ų130130.8 Ų130.884%0.84463%0.625SS**  trans-49.197.1-165.3-27.433000110.4K71P69-K71 PolarHBondContact O-N 2.99Å
70K64.7Low73.8Confident164 Ų164132.2 Ų132.271%0.71364%0.635SS**  trans-64.197175.6-78.1-173.6178.41690103.4L66 G68 R72L66-K70 WeakPolarHBondContact O-CE 3.15Å; G68-K70 VanDerWaalsContact C-N 3.33Å; G68-K70 PolarHBondContact O-N 3.4Å; K70-R72 VanDerWaalsContact C-N 3.31Å; K70-R72 PolarHBondContact O-N 2.88Å
71K61.2Low72.1Confident197 Ų197132 Ų13286%0.85764%0.641SS**  trans-36.7106.4173.3-68.8-102.7-179.8-171.70103.6P69 G73P69-K71 PolarHBondContact O-N 2.99Å; K71-G73 PolarHBondContact O-N 3.45Å
72R61.6Low70.4Confident241 Ų241137.4 Ų137.491%0.90966%0.664SS**  trans-53.2106.6175.7-79-172.1168.1166.3-1.4102.5K70K70-R72 VanDerWaalsContact C-N 3.31Å; K70-R72 PolarHBondContact O-N 2.88Å
73G69.1Low68.7Low45 Ų45133.7 Ų133.746%0.46467%0.665SS.*  trans-51.4154.1-179.200000107.2K71 K75K71-G73 PolarHBondContact O-N 3.45Å; G73-K75 PolarHBondContact O-N 3.27Å
74P71.4Confident67Low131 Ų131134.6 Ų134.685%0.85167%0.669SS**SBendtrans-39.8114.3-179.4-28.533.2000109P76P74-P76 VanDerWaalsContact O-N 3.07Å
75K63.9Low65.5Low188 Ų188132.6 Ų132.682%0.81768%0.679SS**  trans-37.3121.9-167.3-77.7-179.8177.7175.70107.9G73 K77G73-K75 PolarHBondContact O-N 3.27Å; K75-K77 PolarHBondContact O-N 2.83Å
76P60.3Low64.1Low118 Ų118133.7 Ų133.777%0.76668%0.681SS**  trans-52.4111.9-177.820.2-31.1000106.4P74 T78P74-P76 VanDerWaalsContact O-N 3.07Å; P76-T78 PolarHBondContact O-N 3.47Å
77K64.1Low62.7Low178 Ų178132.2 Ų132.277%0.77469%0.69SS**  trans-54.5118.8179.5-75.9179.7178.8175.20104.5K75 F79 L81K75-K77 PolarHBondContact O-N 2.83Å; K77-F79 PolarHBondContact O-N 2.84Å; K77-L81 HydrophobicContact CD-CD2 4.49Å
78T64Low61.6Low91 Ų91133.2 Ų133.256%0.55870%0.697SS**  trans-45.8134.5-178.254.90000107.8P76 L80 L81P76-T78 PolarHBondContact O-N 3.47Å; T78-L80 PolarHBondContact O-N 2.99Å; T78-L81 PolarHBondContact O-N 2.92Å
79F60.1Low60.4Low177 Ų177137.5 Ų137.578%0.77672%0.719SS**Hα-helixtrans-48.7-19.7-177.7-179.4-100.3000113.3K77 L81 K82 A83K77-F79 PolarHBondContact O-N 2.84Å; F79-L81 VanDerWaalsContact C-N 3.35Å; F79-L81 PolarHBondContact O-N 2.85Å; F79-K82 PolarHBondContact O-N 2.8Å; F79-K82 VanDerWaalsContact O-N 3.14Å; F79-A83 PolarHBondContact O-N 3.13Å
80L60.7Low59.5Low132 Ų132141.5 Ų141.569%0.69172%0.723SS**Hα-helixtrans-60.4-27.4170.6-69.4171.1000115.5T78 Q84T78-L80 PolarHBondContact O-N 2.99Å; L80-Q84 PolarHBondContact O-NE2 3.45Å; L80-Q84 VanDerWaalsContact O-NE2 3.08Å
81L57.5Low59Low93 Ų93139.5 Ų139.549%0.48773%0.73SS.*Hα-helixtrans-78.4-23.3172.7-101.979.4000113K77 T78 F79 Q84K77-L81 HydrophobicContact CD-CD2 4.49Å; T78-L81 PolarHBondContact O-N 2.92Å; F79-L81 VanDerWaalsContact C-N 3.35Å; F79-L81 PolarHBondContact O-N 2.85Å; L81-Q84 WeakPolarHBondContact O-CG 3.45Å
82K56Low58.1Low172 Ų172140.3 Ų140.375%0.74873%0.729SS**Hα-helixtrans-80.4-21.8-179.3-162.5155.6-178.31630112.7F79F79-K82 PolarHBondContact O-N 2.8Å; F79-K82 VanDerWaalsContact O-N 3.14Å
83A57.1Low57.9Low72 Ų72136.6 Ų136.660%0.59572%0.722SS**Hα-helixtrans-75.3-31.4176.100000113.6F79F79-A83 PolarHBondContact O-N 3.13Å
84Q55.9Low56.1Low121 Ų121143.3 Ų143.357%0.56574%0.739SS**Hα-helixtrans-86.1-12.4-175.546.2-172.2-38.500114.5L80 L81L80-Q84 PolarHBondContact O-NE2 3.45Å; L80-Q84 VanDerWaalsContact O-NE2 3.08Å; L81-Q84 WeakPolarHBondContact O-CG 3.45Å
85A55.2Low55Low79 Ų79146.5 Ų146.565%0.65373%0.734SS**THydrogen-bonded Turntrans-80-14174.100000113.7
86K56.7Low54.1Low189 Ų189142.4 Ų142.482%0.82273%0.729SS**THydrogen-bonded Turntrans-93.9-2.6176.7-94.3-169.1172.1-174.60114.6
87G53.4Low53.1Low68 Ų68145.9 Ų145.970%0.70174%0.735SS**SBendtrans-90.5-5.7-178.200000115.4
88K52.4Low52.8Low189 Ų189141.5 Ų141.582%0.82273%0.732SS**SBendtrans-121.539.7-172.9-56.4-173.6-176.5-174.80113.1
89T52.1Low52.2Low113 Ų113144.7 Ų144.769%0.69375%0.745SS**SBendtrans-146.878.4168.8510000108.9
90K52.2Low51.9Low213 Ų213147.4 Ų147.493%0.92675%0.75SS**  trans172.876.6149.6-95.8164.6-177.9-172.10109.7
91S54.8Low51.7Low122 Ų122144.8 Ų144.885%0.85376%0.755SS**  trans-13280150.961.50000106.8
92Y41.7Very low51.3Low214 Ų214148.5 Ų148.584%0.83977%0.772SS**  trans-153.6109.9159.6-168.4-108.3000107.9
93E56.9Low51.2Low163 Ų163148.6 Ų148.676%0.76278%0.775SS**  trans-59.7141.9170.2-62-179.4147.600110.2
94F32.2Very low51Low187 Ų187149.2 Ų149.282%0.8277%0.771SS**  trans-153.4135.1131.5-161-106.9000110.1
95R48.1Very low51.1Low198 Ų198148.3 Ų148.375%0.74777%0.774SS**  trans-69.1159-174.2-59173.5-160.1163.58112.1
96S45.2Very low51.1Low101 Ų101153.4 Ų153.471%0.70678%0.777SS**  trans59.4110.3140.656.30000119.2
97E39.8Very low51.5Low191 Ų191150.1 Ų150.189%0.89378%0.775SS**  -150.4115.9123.7-154.692.5-12800107.9
98A56.8Low51.4Low86 Ų86152.7 Ų152.771%0.71178%0.777SS**  trans-68.2141.9166.800000108.4
99L51.7Low51.7Low159 Ų159149.3 Ų149.383%0.83278%0.775SS**  trans167.8136.6133.5-88.3166.8000110.5
100R53.4Low52Low233 Ų233152 Ų15288%0.87978%0.779SS**  trans89.281166.4-57.1-173.7-69.7-132.43.3116.9
101G56.9Low52.5Low77 Ų77147.5 Ų147.579%0.79477%0.772SS**  trans13.9105.9130.100000117.9
102M49.4Very low52.3Low172 Ų172147.5 Ų147.585%0.84777%0.767SS**  trans-138.992.7140.3-67.8-164.876.600106.8V104M102-V104 PolarHBondContact O-N 2.7Å
103H52.4Low53.1Low174 Ų174146.6 Ų146.681%0.80677%0.767SS**  trans-78.793.3170.5-174.3-113000107.6T105H103-T105 PolarHBondContact CE1-OG1 3.44Å; H103-T105 PolarHBondContact ND1-OG1 2.66Å
104V54.9Low53Low85 Ų85144.1 Ų144.152%0.51576%0.764SS.*  trans-93.496.8170.7-1730000107.3M102 Y106M102-V104 PolarHBondContact O-N 2.7Å; V104-Y106 HydrophobicContact CB-CD2 4.42Å; V104-Y106 HydrophobicContact CB-CE2 4.05Å; V104-Y106 HydrophobicContact CG1-CD2 3.71Å; V104-Y106 HydrophobicContact CG1-CE1 4.34Å; V104-Y106 HydrophobicContact CG1-CE2 3.27Å; V104-Y106 HydrophobicContact CG1-CG 4.41Å; V104-Y106 PolarHBondContact O-N 3.34Å; V104-Y106 VanDerWaalsContact O-N 3.16Å
105T57.3Low54Low102 Ų102140.7 Ų140.763%0.62676%0.76SS**  trans-7597.6169.6-46.70000108H103H103-T105 PolarHBondContact CE1-OG1 3.44Å; H103-T105 PolarHBondContact ND1-OG1 2.66Å
106Y55.2Low54.5Low185 Ų185142.1 Ų142.173%0.72577%0.766SS**  trans-77.3131.8160.9-71-82.3000108V104 T108V104-Y106 HydrophobicContact CB-CD2 4.42Å; V104-Y106 HydrophobicContact CB-CE2 4.05Å; V104-Y106 HydrophobicContact CG1-CD2 3.71Å; V104-Y106 HydrophobicContact CG1-CE1 4.34Å; V104-Y106 HydrophobicContact CG1-CE2 3.27Å; V104-Y106 HydrophobicContact CG1-CG 4.41Å; V104-Y106 PolarHBondContact O-N 3.34Å; V104-Y106 VanDerWaalsContact O-N 3.16Å; Y106-T108 PolarHBondContact O-N 3.36Å
107P64.6Low54.9Low121 Ų121141.9 Ų141.979%0.78677%0.769SS**  trans-63112.516625.1-29.4000108.1
108T51.9Low55.6Low121 Ų121142.9 Ų142.974%0.74277%0.765SS**PPolyproline II helixtrans-56126.3170.5-51.30000108.9Y106 E110Y106-T108 PolarHBondContact O-N 3.36Å; T108-E110 PolarHBondContact O-N 3.13Å
109P57.5Low55.6Low118 Ų118147.4 Ų147.477%0.76677%0.772SS**PPolyproline II helixtrans-67.2117.1165.426-29.3000107.9
110E59.3Low56Low169 Ų169142.5 Ų142.579%0.7976%0.759SS**PPolyproline II helixtrans-51.4135172.6-87.7-173.9140.200110.5T108 V112T108-E110 PolarHBondContact O-N 3.13Å; E110-V112 PolarHBondContact O-N 3.43Å
111P63.4Low56.2Low120 Ų120138.6 Ų138.678%0.77976%0.755SS**  trans-69.398.8167.628.5-30.9000108.3F113P111-F113 PolarHBondContact O-N 2.73Å
112V50.2Low56.1Low122 Ų122146.9 Ų146.974%0.73976%0.762SS**  trans-65102.1168.9-179.40000107.8E110 T114E110-V112 PolarHBondContact O-N 3.43Å; V112-T114 VanDerWaalsContact C-N 3.34Å; V112-T114 HydrophobicContact CG1-CG2 4.14Å; V112-T114 PolarHBondContact O-N 3.13Å
113F58Low56.6Low194 Ų194143 Ų14385%0.85176%0.758SS**  trans-73.589.6169.9-151.2-93.4000107.6P111P111-F113 PolarHBondContact O-N 2.73Å
114T55.6Low56.7Low112 Ų112141.3 Ų141.369%0.68776%0.759SS**  trans-66.6125.7173.455.40000108.8V112 R116V112-T114 VanDerWaalsContact C-N 3.34Å; V112-T114 HydrophobicContact CG1-CG2 4.14Å; V112-T114 PolarHBondContact O-N 3.13Å; T114-R116 PolarHBondContact O-N 3.38Å
115P52.8Low56.6Low114 Ų114143.5 Ų143.574%0.7477%0.772SS**  trans-66.7135.6-178.626.5-32.2000110.6A117P115-A117 PolarHBondContact O-N 3.5Å
116R58Low56.4Low229 Ų229143.3 Ų143.386%0.86477%0.773SS**  trans-40.8102.9163.4179.8171-176.31540.7112T114T114-R116 PolarHBondContact O-N 3.38Å
117A54.6Low56.5Low95 Ų95140.8 Ų140.879%0.78578%0.777SS**  trans-167.888.8156.100000110P115P115-A117 PolarHBondContact O-N 3.5Å
118R54.3Low56.4Low212 Ų212141.7 Ų141.780%0.877%0.774SS**  174.364.3129.9-144.5167.2173.6179-3.3109.3G120R118-G120 PolarHBondContact O-N 2.78Å; R118-G120 VanDerWaalsContact O-N 3.1Å
119E56.8Low56.4Low182 Ų182144.1 Ų144.185%0.8577%0.774SS**  trans-56.4102.9148.1179.5176.1-178.700106.6
120G58.5Low56.8Low55 Ų55143.5 Ų143.557%0.56777%0.77SS**  trans149.353.1179.900000116.4R118R118-G120 PolarHBondContact O-N 2.78Å; R118-G120 VanDerWaalsContact O-N 3.1Å
121L58.4Low56.6Low152 Ų152142 Ų14280%0.79678%0.775SS**  trans-153.444.8156.7-120.7120.1000111.7
122R55.7Low56.3Low250 Ų250141 Ų14194%0.94377%0.771SS**SBendtrans-128.755.7171.8-73.5-97.9-179.2178.3-1.6109.2
123A58.7Low56.3Low91 Ų91140 Ų14075%0.75278%0.775SS**  trans-168.463170.600000112.2
124V56Low56Low139 Ų139136.4 Ų136.484%0.84277%0.769SS**  trans-149.377.2149.1-166.70000108.4
125V51.3Low55.6Low130 Ų130137.3 Ų137.379%0.78877%0.77SS**  trans-120.1113.7151.2177.10000104.5T127V125-T127 PolarHBondContact O-N 2.84Å
126P54Low55.4Low98 Ų98142.1 Ų142.164%0.63677%0.773SS**  trans-57.8116.5173.2-21.932.7000109I128P126-I128 HydrophobicContact CB-CG1 4.47Å; P126-I128 PolarHBondContact O-N 2.94Å
127T57.8Low55.2Low133 Ų133135.4 Ų135.482%0.81678%0.775SS**  trans-64.397.8165.836.20000108.4V125V125-T127 PolarHBondContact O-N 2.84Å
128I61.7Low54.7Low140 Ų140138.3 Ų138.372%0.71877%0.773SS**  trans-81.5-5176.2-55.4174.8000111.3P126P126-I128 HydrophobicContact CB-CG1 4.47Å; P126-I128 PolarHBondContact O-N 2.94Å
129F52.6Low54.3Low171 Ų171133.6 Ų133.675%0.7577%0.772SS**SBendtrans-143.7129175.4-74.7-83.4000112.7
130P65.4Low53.3Low105 Ų105132.7 Ų132.768%0.68277%0.77SS**  trans-72.9134.4170.728.7-31.2000110.5S132P130-S132 VanDerWaalsContact C-N 3.26Å; P130-S132 PolarHBondContact O-N 3.37Å
131P55.8Low52.6Low137 Ų137140.1 Ų140.189%0.8978%0.781SS**SBendtrans-8272.3177.734.3-33.2000110.1
132S55.1Low51.7Low100 Ų100138.9 Ų138.970%0.69978%0.779SS**  trans-157.766.6166.869.40000111.4P130P130-S132 VanDerWaalsContact C-N 3.26Å; P130-S132 PolarHBondContact O-N 3.37Å
133A51.1Low51Low100 Ų100136 Ų13683%0.82677%0.768SS**  trans-149.966.7160.100000108.7
134V52.1Low50.1Low119 Ų119137.6 Ų137.672%0.72177%0.771SS**  trans-70.7133.6163.3-158.90000107.3
135N47.6Very low49Very low131 Ų131136 Ų13670%0.70177%0.766SS**  trans76.1113163.3-48.9-56.7000117.4
136R48.3Very low48.1Very low216 Ų216138.5 Ų138.582%0.81577%0.769SS**  -167.4124.5100.4-95.5166.7-172.5101.8-4.1109.4E138R136-E138 PolarHBondContact O-N 3.46Å
137G52.5Low47.3Very low87 Ų87142.4 Ų142.490%0.89778%0.784SS**  trans-65.4111.5164.800000108.7
138E45.1Very low46.1Very low157 Ų157140.8 Ų140.873%0.73478%0.778SS**  trans-135.1104.6165.8-74.8-174.7179.600107.3R136 M140R136-E138 PolarHBondContact O-N 3.46Å; E138-M140 PolarHBondContact O-N 2.98Å; E138-M140 VanDerWaalsContact O-N 3.09Å
139S45.3Very low44.7Very low113 Ų113141.2 Ų141.279%0.7978%0.781SS**  trans-71.795.5170.8146.60000107.8R141S139-R141 PolarHBondContact O-N 2.66Å; S139-R141 VanDerWaalsContact O-N 3.09Å
140M36.4Very low43.9Very low162 Ų162141.5 Ų141.580%0.79878%0.784SS**  trans-69.1101165.7-72.8-123.2-64.900109.2E138 V142E138-M140 PolarHBondContact O-N 2.98Å; E138-M140 VanDerWaalsContact O-N 3.09Å; M140-V142 PolarHBondContact O-N 3.17Å
141R42.8Very low42.3Very low212 Ų212143.6 Ų143.680%0.879%0.785SS**  trans-66.4107.9161-87.3-172.7-176.8174.11.2107.8S139S139-R141 PolarHBondContact O-N 2.66Å; S139-R141 VanDerWaalsContact O-N 3.09Å
142V41.2Very low41.3Very low125 Ų125144.1 Ų144.176%0.75878%0.775SS**PPolyproline II helixtrans-90117.2165.4179.30000108.2M140M140-V142 PolarHBondContact O-N 3.17Å
143R39.5Very low40.4Very low189 Ų189145.5 Ų145.571%0.71377%0.77SS**PPolyproline II helixtrans-76.9146.1167.5-80.9-81.3134.4107.3-8.6109.8
144P40.5Very low39.5Very low125 Ų125150 Ų15081%0.81277%0.766SS**PPolyproline II helixtrans-100.1128.7147.22.617.1000109.3
145S32.8Very low38.7Very low107 Ų107149 Ų14975%0.74876%0.764SS**PPolyproline II helixtrans-92125.7173.4-65.50000111.3
146E33.6Very low38.1Very low182 Ų182147.5 Ų147.585%0.8576%0.764SS**  trans54.8116.9133.5-61.2-173.3170.700121.4
147L35.8Very low37.7Very low180 Ų180143.5 Ų143.594%0.94276%0.758SS**  trans-123.3149.6132.3-74.4177.7000109.6
148S33.5Very low37.1Very low99 Ų99146.6 Ų146.669%0.69275%0.749SS**  trans-91.9174-147.753.60000117.3
149L32.4Very low36.7Very low148 Ų148147.2 Ų147.278%0.77575%0.752SS**  trans93.496156.6-67.5163.5000117.2
150H36Very low36Very low178 Ų178146.8 Ų146.882%0.82475%0.745SS**  -174.4134.386.4-124.1-66.8000111.9
151E30.7Very low35.7Very low148 Ų148146 Ų14669%0.69274%0.744SS**  trans-76.2139.5174.4-177.7-179.9162.700111.6
152H35.7Very low35.3Very low148 Ų148140.2 Ų140.269%0.68574%0.736SS**  172.4107.2128.9-92.476.5000110.1
153Q34.8Very low35Very low129 Ų129142.1 Ų142.160%0.60374%0.742SS**  57.1132.1114-81.5-161.737.300116.5
154R34.1Very low34.9Very low196 Ų196136.7 Ų136.774%0.7474%0.744SS**  cis-173.3145.49.5-135.5178.6-171.5147.4-8.6109.7
155S34.6Very low34.7Very low98 Ų98139.2 Ų139.269%0.68575%0.745SS**  trans50.6129.2139.159.40000121.5
156S35.4Very low34.9Very low98 Ų98138.6 Ų138.669%0.68574%0.737SS**  179.2120.886.1168.30000114.7
157L38.4Very low35Very low132 Ų132137.9 Ų137.969%0.69173%0.733SS**  trans44.6141.8138.2-66.6107000120
158Q40.1Very low35.2Very low152 Ų152134.1 Ų134.171%0.7172%0.718SS**  cis-169.8129.229.8-137.3150.917.200106.7
159Q37.3Very low35.6Very low170 Ų170135.6 Ų135.679%0.79473%0.725SS**  44.2134.6100-64.1-176.4-15.800114.6
160T31.3Very low36.3Very low104 Ų104137.2 Ų137.264%0.63873%0.726SS**  cis-163.2149.849.745.10000112.1
161D29.8Very low36.8Very low145 Ų145138.7 Ų138.778%0.77573%0.73SS**  trans51.5157.8130.5-52.3-20.6000122
162S33.3Very low37.8Very low91 Ų91143.2 Ų143.264%0.63674%0.741SS**  cis-177.9136.1-29.354.90000104.3
163D35.7Very low39Very low166 Ų166139 Ų13989%0.88874%0.737SS**  trans148.7132.5140-80.6-22.7000114
164G36.4Very low40.1Very low74 Ų74139.3 Ų139.376%0.76375%0.75SS**  trans-98.8159.2-167.700000115.4
165H38.2Very low41Very low178 Ų178139.5 Ų139.582%0.82476%0.757SS**  trans-160.5103.7146.8-152.471.6000112.1
166V36.3Very low41.7Very low95 Ų95140.7 Ų140.758%0.57676%0.762SS**  32.4119.8127.8-170.90000120
167Q34.5Very low42.5Very low167 Ų167145.4 Ų145.478%0.7877%0.77SS**  trans94.1123.2139.1-81.817866.800124.7
168T40.6Very low43.3Very low101 Ų101145.3 Ų145.362%0.6278%0.778SS**  trans101.3124.8145.172.80000119.5K170T168-K170 PolarHBondContact O-N 3Å
169P41.2Very low43.6Very low130 Ų130149.5 Ų149.584%0.84479%0.787SS**  trans-87.4109.1173.433-28.8000110.5K171P169-K171 PolarHBondContact O-N 3Å
170K47.8Very low43.7Very low181 Ų181150.2 Ų150.279%0.78779%0.787SS**  trans-87.9102.6170.2-73179.8179173.30109.9T168 R172T168-K170 PolarHBondContact O-N 3Å; K170-R172 PolarHBondContact O-N 3.28Å; K170-R172 VanDerWaalsContact O-N 3.11Å
171K46.1Very low44.4Very low209 Ų209151.6 Ų151.691%0.90980%0.795SS**  trans-52.5111.4162.8-68.2-173.5177-177.30108.8P169P169-K171 PolarHBondContact O-N 3Å
172R51.5Low44.8Very low244 Ų244150.7 Ų150.792%0.92179%0.791SS**  trans-89.8113.6168.7-68.7-171.4-177.7-151.82.5107.9K170K170-R172 PolarHBondContact O-N 3.28Å; K170-R172 VanDerWaalsContact O-N 3.11Å
173G61.6Low45.1Very low59 Ų59154.2 Ų154.261%0.60880%0.803SS**  trans-66.3176.4173.800000112.9K175G173-K175 PolarHBondContact O-N 3.05Å
174P57.7Low45.2Very low136 Ų136152.6 Ų152.688%0.88379%0.794SS**PPolyproline II helixtrans-58.1133-171.8-22.333000112.7
175K53.1Low45.1Very low200 Ų200158.7 Ų158.787%0.8780%0.8SS**PPolyproline II helixtrans-61.2136.3178.6-68.5-179178.6177.70111.2G173G173-K175 PolarHBondContact O-N 3.05Å
176P49.7Very low45.2Very low123 Ų123155.6 Ų155.680%0.79980%0.798SS**PPolyproline II helixtrans-75.3140.9170.829.4-31.3000111.4
177K52.2Low46Very low196 Ų196156.7 Ų156.785%0.85281%0.807SS**PPolyproline II helixtrans-68.6135.3176.7-62.6179.8177.5-176.50110.5R179K177-R179 PolarHBondContact O-N 3.19Å
178P54.5Low46Very low131 Ų131155.1 Ų155.185%0.85181%0.808SS**PPolyproline II helixtrans-70.3130.9173.928-31.1000110.1
179R45.8Very low45.6Very low240 Ų240156.2 Ų156.291%0.90682%0.815SS**PPolyproline II helixtrans-81.1128.8170.7-66.9-174.6-179.7128.3-1.2108.4K177K177-R179 PolarHBondContact O-N 3.19Å
180F39.5Very low45.3Very low184 Ų184155.3 Ų155.381%0.80781%0.812SS**PPolyproline II helixtrans-73136.3172.2-148-103.1000108.5
181V47.4Very low44.9Very low133 Ų133154 Ų15481%0.80681%0.809SS**  trans-112.5124.9164.9175.40000106.2
182D37.9Very low45.1Very low127 Ų127149.4 Ų149.468%0.67980%0.8SS**  trans-67.6141.5-178.5-59.7-63.3000111.8
183D40.2Very low44.2Very low165 Ų165148.1 Ų148.188%0.88280%0.795SS**  trans-130.4130.1147.9-126.2-27.7000109.7
184N38Very low43.3Very low131 Ų131155.4 Ų155.470%0.70181%0.81SS**  trans-68.8142.9-172.4-86.3-32.4000112.1
185F34.2Very low42.6Very low202 Ų202159.3 Ų159.389%0.88681%0.807SS**  173.3120.6109.4-90.9-72.8000109.9
186S39.4Very low42.4Very low114 Ų114151.7 Ų151.780%0.79779%0.785SS**  trans-131.2152.4161.4-75.50000106.8
187P52.3Low41.9Very low117 Ų117150.3 Ų150.376%0.7678%0.775SS**  -149.4141.587.536.7-17000113.5
188V34.9Very low41.6Very low134 Ų134148.2 Ų148.281%0.81277%0.768SS**  133.8126.878.5135.20000104.9
189V33.4Very low41.3Very low124 Ų124147.6 Ų147.675%0.75275%0.754SS**  -167.5122.181.4172.90000111.3
190S34.9Very low41.2Very low111 Ų111141.9 Ų141.978%0.77674%0.737SS**  trans52.1127.5148.163.90000126.2
191E39.3Very low41.7Very low155 Ų155138.7 Ų138.772%0.72473%0.725SS**  trans-81.8174.1165-126.9-168.8-162.100112.6
192P49.3Very low42Very low112 Ų112138.5 Ų138.573%0.72772%0.715SS**  -145.6141.757.133.8-10.3000119.8
193R33.8Very low42.8Very low216 Ų216138 Ų13882%0.81571%0.709SS**  79.5111.3126.4-66-176.3-176.5-156.21.3122.7
194K42.7Very low43.5Very low213 Ų213136.2 Ų136.293%0.92670%0.695SS**  trans-62.6130.4158.1-61.7178.8176-1760112.2
195R42.8Very low44.4Very low217 Ų217136.4 Ų136.482%0.81969%0.692SS**  trans-132.2114.8149.2-170.3-172.2-61.5171.20.7103.6
196G47.5Very low45.6Very low40 Ų40129.2 Ų129.241%0.41266%0.661SS.*  trans171.347.3-169.600000111.2
197T39.5Very low46.4Very low94 Ų94130.5 Ų130.558%0.57765%0.654SS**SBendtrans-136.1-35.5174.8-44.70000109.4E201T197-E201 WeakPolarHBondContact O-CG 3.5Å; T197-E201 PolarHBondContact O-N 3.19Å
198E46Very low46.8Very low152 Ų152131.6 Ų131.671%0.7165%0.65SS**Hα-helixtrans-73-37.1170.1-66.1178159.700112.3Q200 E202E198-Q200 VanDerWaalsContact C-N 3.27Å; E198-Q200 PolarHBondContact O-N 3.09Å; E198-E202 WeakPolarHBondContact O-CG 3.43Å; E198-E202 PolarHBondContact O-N 3.49Å; E198-E202 VanDerWaalsContact O-N 3.13Å
199E47.7Very low48Very low118 Ų118131.5 Ų131.555%0.55164%0.64SS**Hα-helixtrans-71.1-21.6-179.5-65.1176-172.100113.3E203E199-E203 WeakPolarHBondContact O-CG 3.33Å; E199-E203 PolarHBondContact O-N 3.19Å
200Q44.4Very low49.2Very low120 Ų120129.5 Ų129.556%0.56162%0.622SS**Hα-helixtrans-89.7-32.6-177.8-159.3159.350.600111.5E198 E204E198-Q200 VanDerWaalsContact C-N 3.27Å; E198-Q200 PolarHBondContact O-N 3.09Å; Q200-E204 WeakPolarHBondContact O-CG 3.03Å; Q200-E204 PolarHBondContact O-N 2.83Å
201E50.7Low50.3Low118 Ų118131.3 Ų131.355%0.55162%0.619SS**Hα-helixtrans-72.3-34.2171.5-68.8175.4-177.400111.2T197 E205T197-E201 WeakPolarHBondContact O-CG 3.5Å; T197-E201 PolarHBondContact O-N 3.19Å; E201-E205 WeakPolarHBondContact O-CB 3.41Å; E201-E205 WeakPolarHBondContact O-CG 3.45Å; E201-E205 PolarHBondContact O-N 3.24Å; E201-E205 VanDerWaalsContact O-N 3.09Å
202E54Low51.2Low128 Ų128130.9 Ų130.960%0.59862%0.617SS**Hα-helixtrans-70.7-31.3173.7-73-177.2-179.300112.9E198 E206E198-E202 WeakPolarHBondContact O-CG 3.43Å; E198-E202 PolarHBondContact O-N 3.49Å; E198-E202 VanDerWaalsContact O-N 3.13Å; E202-E206 WeakPolarHBondContact O-CB 3.45Å; E202-E206 VanDerWaalsContact O-CG 3.31Å; E202-E206 WeakPolarHBondContact O-CG 3.27Å; E202-E206 PolarHBondContact O-N 3.49Å
203E53.8Low51.6Low117 Ų117132.2 Ų132.255%0.54761%0.613SS.*Hα-helixtrans-73.9-37.1175.4-79.3-178.9171.300112.3E199 E207E199-E203 WeakPolarHBondContact O-CG 3.33Å; E199-E203 PolarHBondContact O-N 3.19Å; E203-E207 PolarHBondContact O-N 3.5Å
204E55.6Low52.6Low127 Ų127128.2 Ų128.259%0.59360%0.604SS**Hα-helixtrans-71.8-36.9176.5-71.6179.1-175.400112.1Q200 E208Q200-E204 WeakPolarHBondContact O-CG 3.03Å; Q200-E204 PolarHBondContact O-N 2.83Å; E204-E208 PolarHBondContact O-N 3.29Å
205E56.7Low53.1Low136 Ų136125.2 Ų125.264%0.63659%0.593SS**Hα-helixtrans-70.5-32.3174.7-73.4-175.8176.200112.6E201 E209E201-E205 WeakPolarHBondContact O-CB 3.41Å; E201-E205 WeakPolarHBondContact O-CG 3.45Å; E201-E205 PolarHBondContact O-N 3.24Å; E201-E205 VanDerWaalsContact O-N 3.09Å; E205-E209 PolarHBondContact O-N 3.1Å
206E58.5Low53.5Low51 Ų51120.1 Ų120.124%0.23858%0.579CS.*Hα-helixtrans-72.5-32.6175.4-76.7-172.5161.300112.6K18 R64 E202 E210K18-E206 IonicContact NZ-OE2 3.13Å; K18-E206 PolarHBondContact NZ-OE2 3.25Å; K18-E206 VanDerWaalsContact NZ-OE2 3.13Å; R64-E206 IonicContact CZ-OE1 2.9Å; R64-E206 IonicContact NH1-OE1 3.69Å; R64-E206 PolarHBondContact NH1-OE1 3.13Å; R64-E206 IonicContact NH2-OE1 2.7Å; R64-E206 PolarHBondContact NH2-OE1 2.7Å; E202-E206 WeakPolarHBondContact O-CB 3.45Å; E202-E206 VanDerWaalsContact O-CG 3.31Å; E202-E206 WeakPolarHBondContact O-CG 3.27Å; E202-E206 PolarHBondContact O-N 3.49Å; E206-E210 PolarHBondContact O-N 2.9Å
207E57.1Low53.7Low140 Ų140126.3 Ų126.365%0.65460%0.597SS**Hα-helixtrans-71.7-36.4175.6-75.2-172.8172.500112.2E203 E211E203-E207 PolarHBondContact O-N 3.5Å; E207-E211 PolarHBondContact O-N 3.26Å
208E59.6Low54.1Low141 Ų141130.1 Ų130.166%0.65961%0.608SS**Hα-helixtrans-69.4-35.9175.9-71.9-172174.300112.7E204 E212E204-E208 PolarHBondContact O-N 3.29Å; E208-E212 PolarHBondContact O-N 3.29Å
209E59.8Low54.1Low132 Ų132128 Ų12862%0.61761%0.606SS**Hα-helixtrans-70.6-33175.6-74-172.8171.600112.7E205 E213E205-E209 PolarHBondContact O-N 3.1Å; E209-E213 PolarHBondContact O-N 3.46Å
210E59.9Low54.2Low81 Ų81131.2 Ų131.238%0.37961%0.613SS.*Hα-helixtrans-71.4-33.1176-74.3-167.4172.700112.5E206 E214E206-E210 PolarHBondContact O-N 2.9Å; E210-E214 PolarHBondContact O-N 2.67Å
211E58.3Low53.9Low149 Ų149127.8 Ų127.870%0.69661%0.61SS**Hα-helixtrans-70.7-35.2174.8-72.9-169.6172.400112.7E207 E215E207-E211 PolarHBondContact O-N 3.26Å; E211-E215 PolarHBondContact O-N 2.96Å
212E58.1Low53.9Low146 Ų146128.5 Ų128.568%0.68263%0.625SS**Hα-helixtrans-70.2-33.8175.6-73.1-167.2169.300112.8E208 E216E208-E212 PolarHBondContact O-N 3.29Å; E212-E216 PolarHBondContact O-N 2.92Å
213E57.4Low53.1Low141 Ų141131.6 Ų131.666%0.65964%0.639SS**Hα-helixtrans-71.8-33.6175.9-74.4-167.2171.400112.8E209 E216 E217E209-E213 PolarHBondContact O-N 3.46Å; E213-E216 PolarHBondContact O-N 2.8Å; E213-E217 PolarHBondContact O-N 2.9Å
214E54.7Low52.3Low131 Ų131135.6 Ų135.661%0.61265%0.654SS**Hα-helixtrans-68-36175.3-75.5-168.5174.500112.2E210 E218E210-E214 PolarHBondContact O-N 2.67Å; E214-E218 PolarHBondContact O-N 3.11Å
215E52.7Low51.4Low151 Ų151138.2 Ų138.271%0.70667%0.671SS**Hα-helixtrans-69.4-34.7173.7-87.3-157.8155.800113.1E211E211-E215 PolarHBondContact O-N 2.96Å
216E52.1Low50.2Low110 Ų110137 Ų13751%0.51468%0.678SS.*Hα-helixtrans-70.9-29.7177.5-89.1-133.4-176.300113.2E212 E213 T219 R220E212-E216 PolarHBondContact O-N 2.92Å; E213-E216 PolarHBondContact O-N 2.8Å; E216-T219 PolarHBondContact O-OG1 3.2Å; E216-R220 IonicContact OE2-CZ 3.13Å; E216-R220 IonicContact OE2-NH1 3.52Å; E216-R220 PolarHBondContact OE2-NH1 3.25Å; E216-R220 IonicContact OE2-NH2 3.05Å; E216-R220 PolarHBondContact OE2-NH2 2.62Å
217E50.3Low49.5Very low169 Ų169143.4 Ų143.479%0.7971%0.705SS**Hα-helixtrans-76.8-30.9177.7-134.7-170.7-177.200112.4E213 T219E213-E217 PolarHBondContact O-N 2.9Å; E217-T219 VanDerWaalsContact C-N 3.31Å; E217-T219 PolarHBondContact O-N 2.92Å
218E49.7Very low48.4Very low174 Ų174146.9 Ų146.981%0.81372%0.718SS**Hα-helixtrans-71.9-21.1179.7-165.5168.4-16800113.3E214E214-E218 PolarHBondContact O-N 3.11Å
219T44.3Very low47.2Very low108 Ų108149 Ų14966%0.66373%0.728SS**THydrogen-bonded Turntrans-85-4.2-179.759.40000115.1E216 E217E216-T219 PolarHBondContact O-OG1 3.2Å; E217-T219 VanDerWaalsContact C-N 3.31Å; E217-T219 PolarHBondContact O-N 2.92Å
220R50Low45.8Very low185 Ų185145.6 Ų145.670%0.69873%0.729SS**  trans-107.262.1-177.8-63.9-172.9-178.3118.48.1112.9E216E216-R220 IonicContact OE2-CZ 3.13Å; E216-R220 IonicContact OE2-NH1 3.52Å; E216-R220 PolarHBondContact OE2-NH1 3.25Å; E216-R220 IonicContact OE2-NH2 3.05Å; E216-R220 PolarHBondContact OE2-NH2 2.62Å
221G38.8Very low44.5Very low49 Ų49149.5 Ų149.551%0.50575%0.752SS.*PPolyproline II helixtrans-95.3157.9165.200000113.7
222P50.2Low43.4Very low133 Ų133151.7 Ų151.786%0.86476%0.763SS**PPolyproline II helixtrans-89.3132.4-147.733.9-34000114.7
223H37.8Very low42.6Very low192 Ų192153.4 Ų153.489%0.88977%0.771SS**PPolyproline II helixtrans-96.4142.2169.3-75.8-84.5000112.9
224K37.9Very low41.7Very low201 Ų201155.1 Ų155.187%0.87478%0.78SS**PPolyproline II helixtrans-66.6143.8-165.2-63.9171.8177.8175.40114.5
225L34.8Very low40.9Very low182 Ų182159.7 Ų159.795%0.95379%0.792SS**PPolyproline II helixtrans-51128.3161.6-83.7143.7000112.1
226S32.2Very low40.3Very low110 Ų110160.5 Ų160.577%0.76980%0.8SS**  trans-128.7143.7154720000110.2
227K44.2Very low39.6Very low186 Ų186163.2 Ų163.281%0.80981%0.813SS**  trans-95.5127.9-158.7-154.8170.3-173.7174.30108.3
228F34.2Very low39Very low214 Ų214164.1 Ų164.194%0.93982%0.815SS**  trans-140.7133.4156.1-88.5-76.1000111
229Q33.9Very low38.4Very low185 Ų185163.2 Ų163.286%0.86481%0.814SS**  trans-125.4142.6-177179.7162.914.500106.4
230G30.1Very low38.1Very low61 Ų61162.2 Ų162.263%0.62982%0.817SS**  trans13496.4179.100000109.8
231D33.6Very low37.5Very low162 Ų162162.2 Ų162.287%0.86683%0.825SS**  73.4103.994.5-79.4-15000112.5
232E34.4Very low37.5Very low196 Ų196171.3 Ų171.392%0.91684%0.844SS**  176.9120.9109.8-106.7-172.9151.500111.3
233E40.7Very low36.9Very low182 Ų182173 Ų17385%0.8584%0.84SS**  trans-73.2129.9161.3-176.7-178.4-151.700108.6
234M38.8Very low37.1Very low176 Ų176169 Ų16987%0.86783%0.833SS**  trans158.398.5147.5-86.5-89.9-8500112
235R39Very low37.2Very low228 Ų228166.8 Ų166.886%0.8683%0.826SS**  -177.799.8120.6-113178.1148.7106.5-5.2111.8
236L40.5Very low37.5Very low167 Ų167165.6 Ų165.687%0.87482%0.82SS**  trans-62.1129.9148.1-88.5154.6000109.9
237Q36.6Very low38.3Very low167 Ų167167.9 Ų167.978%0.7882%0.819SS**  trans-177102.1134.2-98161.842.100107.9
238K38.4Very low38.2Very low189 Ų189168.2 Ų168.282%0.82282%0.82SS**  79.6108.487.6-164.2179.4-167.4179.20111.4
239L36.3Very low38.4Very low154 Ų154168.7 Ų168.781%0.80682%0.816SS**  -179.3115.1125-94.7155.3000109.9
240A38.2Very low38.6Very low87 Ų87168.1 Ų168.172%0.71981%0.813SS**  trans-81.6133164.800000108.9
241H37.2Very low39.1Very low186 Ų186173.4 Ų173.486%0.86182%0.821SS**  trans-147.5129.3147-87-46.2000110.8
242R38Very low39.4Very low239 Ų239173.9 Ų173.990%0.90282%0.817SS**  trans-64.5146.9178.2-63.6170.4169.2179.6-4.7111.4
243H37.4Very low39.6Very low169 Ų169172.9 Ų172.978%0.78281%0.812SS**  -169.6128.5114.9-132.3-98.3000111.2
244S43.8Very low39.6Very low107 Ų107172.4 Ų172.475%0.74881%0.81SS**  trans-79.9125.7165.553.20000108.7
245E39.7Very low39.4Very low155 Ų155174.4 Ų174.472%0.72481%0.809SS**  trans-134111.5168.6-156.8146.4-156.100111.2H247E245-H247 PolarHBondContact O-N 3.47Å
246N41.3Very low39.3Very low157 Ų157174 Ų17484%0.8481%0.809SS**  trans-66114174.6-79.7-50.3000109.9
247H47.7Very low39.2Very low159 Ų159173.8 Ų173.874%0.73680%0.803SS**  trans-102.797.2161.1-75.2-53.4000110.6E245 R249E245-H247 PolarHBondContact O-N 3.47Å; H247-R249 PolarHBondContact O-N 3.05Å
248K42.9Very low39.3Very low193 Ų193174.5 Ų174.584%0.83981%0.806SS**  trans-58.7110.4158.1-73.2176.3176.6178.10108.1
249R38.3Very low39.2Very low224 Ų224173.3 Ų173.385%0.84580%0.804SS**  trans-91.9117.3167.5-71.8-171.9177-174.20.5108.7H247 H251H247-R249 PolarHBondContact O-N 3.05Å; R249-H251 PolarHBondContact O-N 3.35Å
250H38Very low39.3Very low173 Ų173174.9 Ų174.980%0.80181%0.806SS**  trans-68.1120.9170.9-77.3-89.3000109.6
251H39.5Very low39.2Very low171 Ų171179.3 Ų179.379%0.79281%0.812SS**  trans-80.9111.6167-72.8-76.7000109.1R249 H253R249-H251 PolarHBondContact O-N 3.35Å; H251-H253 PolarHBondContact O-N 3.29Å
252H40Very low39.1Very low173 Ų173177.7 Ų177.780%0.80180%0.804SS**  trans-81107.9166.1-93-59.4000109.2H254H252-H254 PolarHBondContact O-N 3.44Å
253H38.8Very low39.2Very low174 Ų174172.7 Ų172.781%0.80680%0.801SS**  trans-72.1114166.2-81.6-83000109.5H251H251-H253 PolarHBondContact O-N 3.29Å
254H41.4Very low39.1Very low173 Ų173171.9 Ų171.980%0.80180%0.797SS**  trans-85.8108.3164.5-86.5-72.8000109.4H252 Y256H252-H254 PolarHBondContact O-N 3.44Å; H254-Y256 PolarHBondContact O-N 3.28Å
255Y35.1Very low38.9Very low218 Ų218176.9 Ų176.986%0.85581%0.805SS**  trans-67.8120.9164.5-110.6-99.3000108.9H257Y255-H257 PolarHBondContact O-N 3.27Å
256Y36.6Very low38.9Very low218 Ų218175.6 Ų175.686%0.85581%0.808SS**  trans-70.3116.6167.9-95.4-94.4000109.4H254H254-Y256 PolarHBondContact O-N 3.28Å
257H38.8Very low38.4Very low163 Ų163172.8 Ų172.876%0.75580%0.801SS**  trans-85.7114.7166-99.2-3.6000109.6Y255Y255-H257 PolarHBondContact O-N 3.27Å
258H38.8Very low37.8Very low182 Ų182176.8 Ų176.884%0.84381%0.809SS**  trans-79.6116.4166.1-96.4-62.4000109.8
259H35.6Very low37.2Very low165 Ų165171.4 Ų171.476%0.76481%0.808SS**  trans-88.4111.4166.4-80.7-66.6000109.9
260H38Very low36.8Very low187 Ų187166.4 Ų166.487%0.86681%0.807SS**PPolyproline II helixtrans-84.7121.4165.1-105.4-63.3000109.5H262H260-H262 PolarHBondContact O-N 3.15Å
261H36.4Very low36.7Very low179 Ų179163 Ų16383%0.82980%0.803SS**PPolyproline II helixtrans-77.9118.6168.6-79.5-81.8000110.2
262H34.9Very low36.3Very low152 Ų152162 Ų16270%0.70480%0.799SS**PPolyproline II helixtrans-92.5117.5171.4-176.665.5000108.9H260H260-H262 PolarHBondContact O-N 3.15Å
263T40Very low36.2Very low135 Ų135162.3 Ų162.383%0.82880%0.798SS**  trans-99.4104.8168.147.30000109.1
264Q36.4Very low36.2Very low151 Ų151161.2 Ų161.271%0.70679%0.793SS**  trans-75.2121.9174.9-124.4168.935.600109.5
265K39Very low36Very low212 Ų212160.6 Ų160.692%0.92280%0.795SS**  trans-108.2114.2154.5-75.5-166.3178.1-176.10108
266V38.8Very low35.9Very low129 Ų129157.1 Ų157.178%0.78279%0.786SS**  trans-83.8134.4171.1-94.40000109.8
267S31.9Very low35.7Very low98 Ų98152.4 Ų152.469%0.68579%0.785SS**  176.5112.7127.8172.30000113.5
268R34.6Very low35.6Very low243 Ų243152.9 Ų152.992%0.91779%0.787SS**  trans66.2124.1133.1-58.6170.377.4163.52.8120.6
269G30.2Very low35.3Very low79 Ų79154.8 Ų154.881%0.81479%0.787SS**  trans165.282.5154.800000117.3
270S30.8Very low35.3Very low119 Ų119151.9 Ų151.983%0.83279%0.785SS**  trans32.5119.1141.5-150.90000123.5
271S34.4Very low35.1Very low102 Ų102150.8 Ų150.871%0.71378%0.782SS**  62.8124.9120.1-145.50000124.6
272H32.5Very low35.2Very low150 Ų150150.3 Ų150.369%0.69478%0.78SS**  trans95.8132.4133.7-133.7-40.3000122.7
273K38.3Very low36.3Very low180 Ų180146.9 Ų146.978%0.78377%0.771SS**  trans10797.8152.6-58.7-171.8-177.3-171.30113.1
274Q37.9Very low36Very low151 Ų151148.7 Ų148.771%0.70677%0.77SS**  59.3114.771.8-157.5178.118.900112.4
275L37.5Very low35.8Very low160 Ų160152.1 Ų152.184%0.83878%0.777SS**  trans-177.1117.4133-91.9166.5000111.4
276H32.4Very low35.7Very low144 Ų144147.6 Ų147.667%0.66777%0.767SS**  trans2.8137.7149.8-55.577.8000121.2
277S32.6Very low35.7Very low119 Ų119150.1 Ų150.183%0.83277%0.767SS**  -169.9129.1102.5-172.80000112.4
278H35.9Very low35.9Very low174 Ų174152.5 Ų152.581%0.80677%0.772SS**  trans-62.2150.9167-80.6-115.6000112
279R33.3Very low35.8Very low222 Ų222144.3 Ų144.384%0.83876%0.764SS**  -179.2123.1100.8-161.5168.4-167.9171.83.1111.1
280S34.8Very low36.2Very low103 Ų103147 Ų14772%0.7277%0.77SS**  trans-83.9146167.3-179.80000109.8
281M35.2Very low36.3Very low164 Ų164144.8 Ų144.881%0.80877%0.766SS**  trans-150127.6151.6-77.5-55.9-139.800109.4
282E36.9Very low36.5Very low170 Ų170150.3 Ų150.379%0.79477%0.773SS**  trans-132.2-178.6165.1-146.8-150.2-171.500106.7
283P58.8Low37.1Very low79 Ų79151.9 Ų151.951%0.51379%0.785SS.*  -105.7-163.5-92.634.8-17.5000113.3
284H34.3Very low37Very low173 Ų173148.8 Ų148.880%0.80178%0.781SS**  trans146.9108.2149.9-62.8-34.7000110.5
285R32.3Very low37Very low224 Ų224146.5 Ų146.585%0.84579%0.788SS**  87.3118.180.6-148.5-161173.9141.6-1.5115.4
286T36.7Very low37.1Very low117 Ų117146.3 Ų146.372%0.71878%0.783SS**  trans130.5130.1132.559.10000119.6
287K39.1Very low37.3Very low181 Ų181149.6 Ų149.679%0.78780%0.795SS**  trans92.9116.5140-83.9-171.5169-176.20124
288D35.6Very low37.7Very low148 Ų148153.1 Ų153.179%0.79180%0.796SS**  65.2133.5126.4-60.6-21.8000124.1
289G33.2Very low37.9Very low72 Ų72152.1 Ų152.174%0.74279%0.792SS**  trans120.389.8155.100000114.6
290S37Very low38.7Very low134 Ų134147.8 Ų147.894%0.93779%0.792SS**  67116.989.5-168.40000115.6
291G33.7Very low38.9Very low73 Ų73150.5 Ų150.575%0.75379%0.793SS**  trans145.177.5161.200000116.2
292Y39.3Very low39.2Very low218 Ų218152.1 Ų152.186%0.85580%0.796SS**  trans-86.5135164.4-75.2-89.4000110.3
293L44.9Very low39.2Very low183 Ų183148.5 Ų148.596%0.95880%0.795SS**  trans-141.2118.6150.4-75-178.6000111.1
294V35.6Very low38Very low115 Ų115149.2 Ų149.270%0.69780%0.802SS**  trans-96.9133.1165.7168.70000106.9
295A38.1Very low38.1Very low103 Ų103152.9 Ų152.985%0.85181%0.808SS**  trans-89.4125.7176.900000111.5
296H39.2Very low38Very low156 Ų156146.1 Ų146.172%0.72281%0.808SS**  trans-120.5138.3168.6-79.5-73.9000109.3
297F36.2Very low38Very low213 Ų213152.1 Ų152.193%0.93482%0.818SS**  trans-161.6100.1151.8-100.3-80.4000106.9
298K41.1Very low38.6Very low194 Ų194147.7 Ų147.784%0.84381%0.807SS**  65.5110.375.7-75.3-165.4177.6-1780116.3
299Q40.2Very low38.4Very low153 Ų153146 Ų14672%0.71580%0.802SS**  trans-70.7174.4160.3-65.1-176.2-33.100112.8H301Q299-H301 PolarHBondContact OE1-NE2 2.85Å
300P51.1Low38.4Very low130 Ų130150.5 Ų150.584%0.84480%0.804SS**  trans-125.5152.614035.1-22000114.2
301H39.2Very low38.8Very low160 Ų160152.1 Ų152.174%0.74180%0.801SS**  trans-116.2150.1174-80.6-86000111.4Q299Q299-H301 PolarHBondContact OE1-NE2 2.85Å
302K41.4Very low39.4Very low199 Ų199153.8 Ų153.887%0.86580%0.799SS**  173.3117.3126.7-97.2176.4178.8-176.70110
303A35.4Very low39.9Very low94 Ų94148.4 Ų148.478%0.77779%0.791SS**  75.2136.69600000113.5
304S34.7Very low39.3Very low94 Ų94146.9 Ų146.966%0.65778%0.78SS**  cis-175163.5-1.562.90000109
305R36.4Very low39.3Very low250 Ų250148.3 Ų148.394%0.94378%0.78SS**  trans87.3124.2153.6-64.6174.5172.6-166.7-3.3120.5
306G30.8Very low39.6Very low81 Ų81153.3 Ų153.384%0.83578%0.782SS**  trans136.298.9149.800000116.7
307R36.5Very low40.2Very low244 Ų244149.6 Ų149.692%0.92177%0.772SS**  trans-78.1172.3154-135.6-163.7172.5-141.8-0.4108
308P51.2Low40.3Very low88 Ų88149.3 Ų149.357%0.57177%0.766SS**  cis-137.1-162.4-1.532.2-7000114.1
309T31.4Very low40.5Very low112 Ų112149.7 Ų149.769%0.68777%0.768SS**  trans88.1130.8157.2-40.50000112.6
310E32.8Very low40.9Very low166 Ų166150.7 Ų150.778%0.77678%0.778SS**  cis-165.714515.3-131.7164.1173.100106.2
311L45.5Very low40.7Very low168 Ų168150.7 Ų150.788%0.8877%0.77SS**  trans-89.9138.7153.8-73.9170.3000106.6
312P46.4Very low40.8Very low109 Ų109154.5 Ų154.571%0.70878%0.778SS**  -150.1-167.1115.943.5-25.4000111.9
313P50.8Low40.6Very low105 Ų105155.4 Ų155.468%0.68278%0.776SS**  -132.2-164.3-90.138.9-18.1000112.6
314M31.7Very low40.8Very low150 Ų150156.3 Ų156.374%0.73978%0.777SS**  trans79141.1160.4-80.3156.862.900116.4
315E34.5Very low41.6Very low146 Ų146157.3 Ų157.368%0.68278%0.781SS**  cis-165.8131.730.3-132.4163.3-166.400110.9
316K45.7Very low41.8Very low208 Ų208151.3 Ų151.390%0.90477%0.772SS**  trans-115.9134.4139.8-77.3179179.4176.50103.6
317P51.3Low42.4Very low78 Ų78158.4 Ų158.451%0.50677%0.774SS.*  -139.9175.272.4215.1000110.9
318Y38.2Very low42.7Very low207 Ų207155 Ų15581%0.81277%0.773SS**  -171137.584-78-74.9000111.6
319F45.7Very low42.4Very low202 Ų202158.2 Ų158.289%0.88679%0.785SS**  trans-42.2130150.5-84.3-111000111.9
320L47.6Very low43Very low174 Ų174160.2 Ų160.291%0.91179%0.792SS**  trans-135108.4143.8-82.8176000110
321D47.5Very low43.8Very low129 Ų129157 Ų15769%0.6979%0.788SS**  trans-44.2126.2156.3-177.412.2000111.2
322R40.8Very low43.7Very low241 Ų241157.7 Ų157.791%0.90979%0.786SS**  trans-137.9101.4162.2-152.3176.8-170.9-144.41.7109.7
323R38.3Very low44.1Very low217 Ų217160.4 Ų160.482%0.81980%0.795SS**  trans-56.2144.1164.8-72.2176171.5162.1-2.7111.8
324S39Very low43.9Very low113 Ų113164 Ų16479%0.7980%0.803SS**  trans-60.3166.5177.9-38.10000114.4
325P51.8Low45Very low116 Ų116163.5 Ų163.575%0.75381%0.808SS**  -142.2134114.420.41.9000116.4
326T39.6Very low46.1Very low123 Ų123159.6 Ų159.676%0.75580%0.801SS**  82.9111.6128.6-38.50000122.4
327R45.2Very low46.9Very low230 Ų230160.1 Ų160.187%0.86880%0.798SS**  trans25.6120.2139.8-78.5-175.3154.2160.1-5.3120.4
328L41.3Very low47.3Very low172 Ų172166.5 Ų166.590%0.90181%0.812SS**  -141.999.5124.5-67.8177.8000105.2
329D45.8Very low48Very low156 Ų156160.1 Ų160.183%0.83480%0.796SS**  31.488.4103.7-148.844.7000113.8
330D43.4Very low48.2Very low155 Ų155155.9 Ų155.983%0.82979%0.79SS**  trans-143.8123.5142.5-155.512000108.9Q332D330-Q332 PolarHBondContact O-N 2.92Å
331S50Low48.6Very low99 Ų99154.2 Ų154.269%0.69278%0.781SS**  trans-83109-172.144.70000110.6
332Q44.2Very low48.9Very low181 Ų181152.8 Ų152.885%0.84678%0.781SS**  trans-148.4124.3152.1-133.8170.318.100109.7D330 Q334D330-Q332 PolarHBondContact O-N 2.92Å; Q332-Q334 PolarHBondContact O-N 2.88Å
333D52.8Low49.6Very low167 Ų167147.8 Ų147.889%0.89377%0.773SS**  trans-43.192.7-178-71.1-50.9000113.2
334Q47.1Very low50.5Low179 Ų179143.1 Ų143.184%0.83677%0.768SS**  trans-90.8108.9154.4-73.3-173.258.400106.2Q332 A336Q332-Q334 PolarHBondContact O-N 2.88Å; Q334-A336 PolarHBondContact O-N 3.39Å
335T54.7Low51.6Low140 Ų140140.2 Ų140.286%0.85974%0.742SS**  trans-59.769.5163.1-47.10000108.8W337T335-W337 VanDerWaalsContact C-N 3.32Å; T335-W337 PolarHBondContact O-N 3.17Å
336A57.7Low52.3Low65 Ų65142.1 Ų142.154%0.53774%0.738SS.*  trans-71.296.1173.600000105.5Q334 R338Q334-A336 PolarHBondContact O-N 3.39Å; A336-R338 PolarHBondContact O-N 3.41Å
337W62.2Low54Low218 Ų218139.3 Ų139.383%0.82672%0.721SS**  trans-51.8110171.2-178.586.3000108.3T335 P339T335-W337 VanDerWaalsContact C-N 3.32Å; T335-W337 PolarHBondContact O-N 3.17Å; W337-P339 HydrophobicContact CE3-CG 4.35Å; W337-P339 HydrophobicContact CH2-CB 3.62Å; W337-P339 HydrophobicContact CH2-CG 3.94Å; W337-P339 HydrophobicContact CZ2-CB 4.08Å; W337-P339 HydrophobicContact CZ3-CB 3.92Å; W337-P339 HydrophobicContact CZ3-CG 3.71Å
338R59.6Low55.6Low213 Ų213131.8 Ų131.880%0.80470%0.698SS**  trans-107112.7174.1-74.3179.8177.3-108.5-0.2106.5A336 C340A336-R338 PolarHBondContact O-N 3.41Å; R338-C340 PolarHBondContact O-N 3.11Å; R338-C340 VanDerWaalsContact O-N 3.15Å
339P53.3Low57.8Low73 Ų73127.9 Ų127.947%0.47468%0.681SS.*  trans-61.6122.8174.121.5-26.2000108.6W337 L341W337-P339 HydrophobicContact CE3-CG 4.35Å; W337-P339 HydrophobicContact CH2-CB 3.62Å; W337-P339 HydrophobicContact CH2-CG 3.94Å; W337-P339 HydrophobicContact CZ2-CB 4.08Å; W337-P339 HydrophobicContact CZ3-CB 3.92Å; W337-P339 HydrophobicContact CZ3-CG 3.71Å; P339-L341 PolarHBondContact O-N 3.33Å; P339-L341 VanDerWaalsContact O-N 3.13Å
340C50Low60Low113 Ų113123.6 Ų123.676%0.76466%0.66SS**  trans-66.6107.1173.418.60000109R338 S342R338-C340 PolarHBondContact O-N 3.11Å; R338-C340 VanDerWaalsContact O-N 3.15Å; C340-S342 PolarHBondContact O-N 3.43Å; C340-S342 VanDerWaalsContact O-N 3.11Å
341L56.1Low62.5Low138 Ų138121 Ų12172%0.72365%0.646SS**G310 helixtrans-75.614.7177.9-61.9175.3000113.5P339 N343 V344P339-L341 PolarHBondContact O-N 3.33Å; P339-L341 VanDerWaalsContact O-N 3.13Å; L341-N343 PolarHBondContact O-N 2.95Å; L341-V344 HydrophobicContact CB-CG2 4.14Å; L341-V344 HydrophobicContact CD2-CG2 4.29Å; L341-V344 WeakPolarHBondContact O-CG2 3.41Å
342S53.8Low64.5Low100 Ų100119.8 Ų119.870%0.69964%0.635SS**G310 helixtrans-75.1-7.8-174.261.80000113.9C340C340-S342 PolarHBondContact O-N 3.43Å; C340-S342 VanDerWaalsContact O-N 3.11Å
343N55.6Low66.8Low135 Ų135115.5 Ų115.572%0.72262%0.621SS**G310 helixtrans-139.973.7168.5-67.6-63.1000108L341 E345L341-N343 PolarHBondContact O-N 2.95Å; N343-E345 HydrophobicContact CB-CG 4.41Å; N343-E345 PolarHBondContact O-N 3.13Å
344V56.3Low68.7Low119 Ų119110.5 Ų110.572%0.72160%0.603SS**  trans-7168.8166.2-164.20000107.6L341 K346L341-V344 HydrophobicContact CB-CG2 4.14Å; L341-V344 HydrophobicContact CD2-CG2 4.29Å; L341-V344 WeakPolarHBondContact O-CG2 3.41Å; V344-K346 PolarHBondContact O-N 2.87Å
345E62.8Low70.3Confident52 Ų52109.2 Ų109.224%0.24360%0.602CS.*  trans-63.1130.3164-69.1-151.6105.700107.5N343 V347 S365 T366N343-E345 HydrophobicContact CB-CG 4.41Å; N343-E345 PolarHBondContact O-N 3.13Å; E345-V347 PolarHBondContact O-N 3.05Å; E345-S365 PolarHBondContact OE1-OG 2.79Å; E345-T366 WeakPolarHBondContact OE1-CB 3.35Å; E345-T366 PolarHBondContact OE1-N 3.11Å; E345-T366 PolarHBondContact OE1-OG1 2.88Å; E345-T366 WeakPolarHBondContact OE2-CB 3.45Å
346K66.6Low71.8Confident156 Ų156112.6 Ų112.668%0.67861%0.605SS**  trans-6884.5178.9-171.1178.1176.8-178.60107.7V344 L348V344-K346 PolarHBondContact O-N 2.87Å; K346-L348 HydrophobicContact CG-CD2 4.17Å; K346-L348 HydrophobicContact CG-CG 4.21Å; K346-L348 PolarHBondContact O-N 3.07Å
347V75.7Confident73Confident65 Ų65115.5 Ų115.539%0.39461%0.611SS.*  trans-72.2114.7168.51760000106.4E345 V349 K362 E363E345-V347 PolarHBondContact O-N 3.05Å; V347-V349 HydrophobicContact CG1-CG2 4.15Å; V347-K362 HydrophobicContact CG1-CD 4.04Å; V347-K362 HydrophobicContact CG1-CG 3.55Å; V347-E363 WeakPolarHBondContact CA-O 3.27Å
348L78.9Confident74.5Confident72 Ų72108.9 Ų108.938%0.37760%0.595SS.*EExtended strand (participates in β ladder)trans-98.1132.6171.4-63.3167.6000107.7K346 K362 E363K346-L348 HydrophobicContact CG-CD2 4.17Å; K346-L348 HydrophobicContact CG-CG 4.21Å; K346-L348 PolarHBondContact O-N 3.07Å; L348-K362 WeakPolarHBondContact O-CA 3.23Å; L348-E363 HydrophobicContact CB-CG 3.52Å; L348-E363 WeakPolarHBondContact CB-OE1 3.26Å; L348-E363 HydrophobicContact CD1-CG 4.36Å; L348-E363 WeakPolarHBondContact CD1-OE1 3.42Å; L348-E363 HydrophobicContact CG-CG 4.41Å; L348-E363 PolarHBondContact N-O 3.48Å; L348-E363 PolarHBondContact O-N 2.95Å
349V87Confident76.1Confident90 Ų90103.1 Ų103.155%0.54558%0.583SS.*EExtended strand (participates in β ladder)trans-115.7117.4176-176.70000106.2V347 T360 I361 K362V347-V349 HydrophobicContact CG1-CG2 4.15Å; V349-T360 HydrophobicContact CG1-CG2 3.52Å; V349-I361 WeakPolarHBondContact CA-O 3.15Å; V349-K362 HydrophobicContact CG2-CG 4.28Å
350T92.6Very high77.9Confident66 Ų66103.9 Ų103.941%0.40559%0.586SS.*EExtended strand (participates in β ladder)trans-123118.9-177.6-55.80000108.4V352 I361T350-V352 HydrophobicContact CG2-CG2 4.23Å; T350-I361 PolarHBondContact N-O 3.24Å; T350-I361 PolarHBondContact O-N 3.09Å
351D94.7Very high79.7Confident100 Ų100102.6 Ų102.654%0.53557%0.571SS.*EExtended strand (participates in β ladder)trans-88.4122.5172-67.9-35.6000109.3T358 T360D351-T358 HydrophobicContact CB-CG2 3.9Å; D351-T360 WeakPolarHBondContact OD1-CA 3.32Å; D351-T360 VanDerWaalsContact OD1-CB 3.23Å; D351-T360 WeakPolarHBondContact OD1-CB 3.35Å; D351-T360 VanDerWaalsContact OD1-CG2 3.26Å; D351-T360 WeakPolarHBondContact OD1-CG2 3.18Å; D351-T360 PolarHBondContact OD1-OG1 3.2Å
352V91.9Very high81.2Confident74 Ų74101.6 Ų101.645%0.44856%0.561SS.*EExtended strand (participates in β ladder)trans-111.6114.5174.8-176.30000108T350 T358 V359 I361T350-V352 HydrophobicContact CG2-CG2 4.23Å; V352-T358 WeakPolarHBondContact O-CA 3.33Å; V352-V359 PolarHBondContact N-O 3.21Å; V352-V359 PolarHBondContact O-N 3.18Å; V352-I361 HydrophobicContact CG2-CD1 4.09Å
353T93.4Very high82.6Confident91 Ų91101.6 Ų101.656%0.55855%0.55SS*.EExtended strand (participates in β ladder)trans-105.9123.6178.2-51.50000110.6L357 T358T353-L357 CarbonylContact C-O 3.56Å; T353-L357 VanDerWaalsContact CA-O 3.27Å; T353-L357 WeakPolarHBondContact CA-O 3.46Å; T353-T358 WeakPolarHBondContact CG2-OG1 3.42Å; T353-T358 WeakPolarHBondContact OG1-CG2 3.19Å; T353-T358 PolarHBondContact OG1-OG1 3.38Å
354A91.9Very high83.8Confident62 Ų6297.2 Ų97.251%0.51253%0.529SS..EExtended strand (participates in β ladder)trans-142.3140.417200000109.7F356 L357A354-F356 VanDerWaalsContact C-N 3.27Å; A354-F356 PolarHBondContact O-N 2.74Å; A354-L357 PolarHBondContact N-O 3.45Å; A354-L357 PolarHBondContact O-N 2.74Å; A354-L357 VanDerWaalsContact O-O 3.09Å
355N81.6Confident84.7Confident152 Ų15296.1 Ų96.181%0.81353%0.527SS*.THydrogen-bonded Turntrans48.845178.6-59-23.8000113.7L357N355-L357 PolarHBondContact O-N 2.92Å; N355-L357 VanDerWaalsContact O-N 3.11Å
356F86.4Confident85.2Confident210 Ų21096.4 Ų96.492%0.92153%0.532SS*.THydrogen-bonded Turntrans63.37.4-177.3-54.3-83.4000116.1A354A354-F356 VanDerWaalsContact C-N 3.27Å; A354-F356 PolarHBondContact O-N 2.74Å
357L83Confident85.3Confident127 Ų12793.1 Ų93.167%0.66553%0.529SS*.EExtended strand (participates in β ladder)trans-103.9130.7172-64.3174.3000109.3T353 A354 N355T353-L357 CarbonylContact C-O 3.56Å; T353-L357 VanDerWaalsContact CA-O 3.27Å; T353-L357 WeakPolarHBondContact CA-O 3.46Å; A354-L357 PolarHBondContact N-O 3.45Å; A354-L357 PolarHBondContact O-N 2.74Å; A354-L357 VanDerWaalsContact O-O 3.09Å; N355-L357 PolarHBondContact O-N 2.92Å; N355-L357 VanDerWaalsContact O-N 3.11Å
358T93.4Very high85Confident79 Ų7998.9 Ų98.949%0.48555%0.549SS..EExtended strand (participates in β ladder)trans-109.7122.3173.6-56.30000109.2D351 V352 T353D351-T358 HydrophobicContact CB-CG2 3.9Å; V352-T358 WeakPolarHBondContact O-CA 3.33Å; T353-T358 WeakPolarHBondContact CG2-OG1 3.42Å; T353-T358 WeakPolarHBondContact OG1-CG2 3.19Å; T353-T358 PolarHBondContact OG1-OG1 3.38Å
359V92.5Very high84.4Confident92 Ų9299.3 Ų99.356%0.55857%0.57SS**EExtended strand (participates in β ladder)trans-105.8121.3172.6-178.30000108.1V352 I361V352-V359 PolarHBondContact N-O 3.21Å; V352-V359 PolarHBondContact O-N 3.18Å; V359-I361 HydrophobicContact CG1-CG1 4.28Å
360T91.7Very high83.4Confident88 Ų8899.9 Ų99.954%0.5457%0.566SS.*EExtended strand (participates in β ladder)trans-88.2113.7173.9-57.60000109.3V349 D351V349-T360 HydrophobicContact CG1-CG2 3.52Å; D351-T360 WeakPolarHBondContact OD1-CA 3.32Å; D351-T360 VanDerWaalsContact OD1-CB 3.23Å; D351-T360 WeakPolarHBondContact OD1-CB 3.35Å; D351-T360 VanDerWaalsContact OD1-CG2 3.26Å; D351-T360 WeakPolarHBondContact OD1-CG2 3.18Å; D351-T360 PolarHBondContact OD1-OG1 3.2Å
361I88.4Confident82.2Confident86 Ų86103.6 Ų103.644%0.44158%0.577SS.*EExtended strand (participates in β ladder)trans-98.5122.1176-55.8174.5000107.9V349 T350 V352 V359V349-I361 WeakPolarHBondContact CA-O 3.15Å; T350-I361 PolarHBondContact N-O 3.24Å; T350-I361 PolarHBondContact O-N 3.09Å; V352-I361 HydrophobicContact CG2-CD1 4.09Å; V359-I361 HydrophobicContact CG1-CG1 4.28Å
362K86.3Confident81.1Confident118 Ų118108.5 Ų108.551%0.51359%0.593SS.*EExtended strand (participates in β ladder)trans-106110.8172.7-173.9-177.3-175.3-1730108.4V347 L348 V349 F370V347-K362 HydrophobicContact CG1-CD 4.04Å; V347-K362 HydrophobicContact CG1-CG 3.55Å; L348-K362 WeakPolarHBondContact O-CA 3.23Å; V349-K362 HydrophobicContact CG2-CG 4.28Å; K362-F370 VanDerWaalsContact O-CE2 3.32Å; K362-F370 WeakPolarHBondContact O-CE2 2.96Å
363E84.1Confident80.1Confident100 Ų100112.7 Ų112.747%0.46761%0.613SS.*EExtended strand (participates in β ladder)trans-105.1139.1176.264.8-175.5165.900110.3V347 L348V347-E363 WeakPolarHBondContact CA-O 3.27Å; L348-E363 HydrophobicContact CB-CG 3.52Å; L348-E363 WeakPolarHBondContact CB-OE1 3.26Å; L348-E363 HydrophobicContact CD1-CG 4.36Å; L348-E363 WeakPolarHBondContact CD1-OE1 3.42Å; L348-E363 HydrophobicContact CG-CG 4.41Å; L348-E363 PolarHBondContact N-O 3.48Å; L348-E363 PolarHBondContact O-N 2.95Å
364S81.2Confident78.7Confident42 Ų42118.6 Ų118.629%0.29463%0.631SS.*  trans-136.7148.1174.5600000110.3T366S364-T366 VanDerWaalsContact C-N 3.31Å; S364-T366 PolarHBondContact O-N 3.2Å; S364-T366 PolarHBondContact OG-O 2.46Å
365S73.7Confident76.9Confident96 Ų96130.6 Ų130.667%0.67166%0.663SS**SBendtrans-70.1-22.1179.345.70000114.4E345E345-S365 PolarHBondContact OE1-OG 2.79Å
366T73.6Confident76.7Confident58 Ų58129.5 Ų129.536%0.35666%0.655SS.*  trans-115.8145.6174.3-59.40000111.2E345 S364 K368E345-T366 WeakPolarHBondContact OE1-CB 3.35Å; E345-T366 PolarHBondContact OE1-N 3.11Å; E345-T366 PolarHBondContact OE1-OG1 2.88Å; E345-T366 WeakPolarHBondContact OE2-CB 3.45Å; S364-T366 VanDerWaalsContact C-N 3.31Å; S364-T366 PolarHBondContact O-N 3.2Å; S364-T366 PolarHBondContact OG-O 2.46Å; T366-K368 HydrophobicContact CG2-CB 3.6Å
367S70.3Confident76.2Confident87 Ų87125.3 Ų125.361%0.60864%0.642SS**  trans-80.6-16.617853.70000113.7G369 F370S367-G369 PolarHBondContact O-N 2.99Å; S367-F370 PolarHBondContact O-N 3.09Å
368K67.8Low75.8Confident186 Ų186125.2 Ų125.281%0.80964%0.64SS**BIsolated β-bridgetrans-63.5112.6-178.7-167.5177.5-177177.60110.7T366T366-K368 HydrophobicContact CG2-CB 3.6Å
369G66.7Low74.7Confident81 Ų81127.9 Ų127.984%0.83565%0.649SS**THydrogen-bonded Turntrans91.6-4.4179.100000115.1S367S367-G369 PolarHBondContact O-N 2.99Å
370F66.2Low73.6Confident102 Ų102130.1 Ų130.145%0.44766%0.655SS.*THydrogen-bonded Turntrans-87.5-37.5173.2-163.2-87.6000111.9K362 S367K362-F370 VanDerWaalsContact O-CE2 3.32Å; K362-F370 WeakPolarHBondContact O-CE2 2.96Å; S367-F370 PolarHBondContact O-N 3.09Å
371F67.6Low72.4Confident145 Ų145132.9 Ų132.964%0.63666%0.663SS**BIsolated β-bridgetrans-112.4129.7176.6-56.3-76000109.6
372K71.7Confident71.3Confident203 Ų203136.3 Ų136.388%0.88368%0.679SS**  trans-77.1128.7166.5-65.3179.8-179.6178.90106.9K374K372-K374 PolarHBondContact O-N 3.09Å
373D70.4Confident70.1Confident161 Ų161137.7 Ų137.786%0.86169%0.691SS**  trans-54.6126.1172.8-72.1-37.3000108.8R375D373-R375 PolarHBondContact O-N 3.19Å; D373-R375 VanDerWaalsContact O-N 3.09Å
374K63.5Low69Low216 Ų216140.8 Ų140.894%0.93971%0.71SS**  trans-66.6110.8174.7-69.6-174.4177.9-177.50106.9K372K372-K374 PolarHBondContact O-N 3.09Å
375R55Low67.9Low313 Ų313149.8 Ų149.8100%1.18175%0.748SS**  trans-79.70175.8-172.5-178.2-113.8-174.4-2.7110.8D373D373-R375 PolarHBondContact O-N 3.19Å; D373-R375 VanDerWaalsContact O-N 3.09Å

Retrieved 375 of 375 residues in 694.1 ms (Link to these results)