A0A077YYC6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YYC6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 151 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
1M39.9Very low31.6Very low248 Ų248157.7 Ų157.7100%1.22281%0.813SS**  0104.10-73.1170.6170.200107.3
2S41.8Very low31Very low127 Ų127154.9 Ų154.989%0.88879%0.794SS**PPolyproline II helixtrans-90.6120.6-179.1-870000110.4C4S2-C4 PolarHBondContact O-N 3.19Å
3A39.7Very low30.8Very low97 Ų97152.2 Ų152.280%0.80279%0.789SS**PPolyproline II helixtrans-72.1120.8173.700000109.8P5A3-P5 WeakPolarHBondContact O-CD 3.38Å
4C33.4Very low30.8Very low120 Ų120149.7 Ų149.781%0.81178%0.784SS**PPolyproline II helixtrans-69123.5171.7-70.90000109.3S2 R6S2-C4 PolarHBondContact O-N 3.19Å; C4-R6 PolarHBondContact O-N 3.06Å
5P33.8Very low30.5Very low85 Ų85142.8 Ų142.855%0.55276%0.763SS**PPolyproline II helixtrans-64132.1177.8-1022000110.3A3 Y7A3-P5 WeakPolarHBondContact O-CD 3.38Å; P5-Y7 HydrophobicContact CB-CD1 4.39Å; P5-Y7 HydrophobicContact CB-CE1 3.7Å; P5-Y7 HydrophobicContact CG-CE1 4.19Å; P5-Y7 VanDerWaalsContact O-CE2 3.26Å; P5-Y7 WeakPolarHBondContact O-CE2 3.08Å
6R31.6Very low30.2Very low228 Ų228137.8 Ų137.886%0.8675%0.747SS**  trans-86.1112170.5-78.3-177.4178146.1-1.4108.9C4C4-R6 PolarHBondContact O-N 3.06Å
7Y27.9Very low30.1Very low185 Ų185135.5 Ų135.573%0.72574%0.735SS**  trans-89.8127.1173.2-30.5-81.4000108.9P5P5-Y7 HydrophobicContact CB-CD1 4.39Å; P5-Y7 HydrophobicContact CB-CE1 3.7Å; P5-Y7 HydrophobicContact CG-CE1 4.19Å; P5-Y7 VanDerWaalsContact O-CE2 3.26Å; P5-Y7 WeakPolarHBondContact O-CE2 3.08Å
8W25.9Very low30Very low236 Ų236133.2 Ų133.289%0.89472%0.721SS**  trans-94.2113.2170.5-64.484.6000107.9K10W8-K10 PolarHBondContact O-N 3.1Å
9V25.4Very low30Very low125 Ų125128.6 Ų128.676%0.75871%0.708SS**  trans-86.2106.6172.4-178.90000107.4V11V9-V11 HydrophobicContact CG1-CG2 4.33Å; V9-V11 PolarHBondContact O-N 3.38Å; V9-V11 VanDerWaalsContact O-N 3.16Å
10K22.7Very low30Very low166 Ų166130.4 Ų130.472%0.72271%0.709SS**  trans-72.4103.6170.5-164.9-173.1-175.6-165.60107.7W8 E12W8-K10 PolarHBondContact O-N 3.1Å; K10-E12 VanDerWaalsContact C-N 3.35Å; K10-E12 HydrophobicContact CD-CG 4.01Å; K10-E12 VanDerWaalsContact CE-OE1 3.24Å; K10-E12 WeakPolarHBondContact CE-OE1 3.43Å; K10-E12 HydrophobicContact CG-CG 4.13Å; K10-E12 IonicContact NZ-OE1 2.68Å; K10-E12 PolarHBondContact NZ-OE1 3.14Å; K10-E12 PolarHBondContact O-N 3.04Å; K10-E12 VanDerWaalsContact O-N 3.14Å
11V25.7Very low30.2Very low118 Ų118126.6 Ų126.672%0.71570%0.699SS**  trans-80.788.9170.8-174.90000106.9V9 T13V9-V11 HydrophobicContact CG1-CG2 4.33Å; V9-V11 PolarHBondContact O-N 3.38Å; V9-V11 VanDerWaalsContact O-N 3.16Å; V11-T13 PolarHBondContact O-N 3.42Å
12E24.2Very low29.9Very low124 Ų124125.8 Ų125.858%0.57968%0.683SS**  trans-72.5112163.9-69-175.1167.500106.9K10 V14K10-E12 VanDerWaalsContact C-N 3.35Å; K10-E12 HydrophobicContact CD-CG 4.01Å; K10-E12 VanDerWaalsContact CE-OE1 3.24Å; K10-E12 WeakPolarHBondContact CE-OE1 3.43Å; K10-E12 HydrophobicContact CG-CG 4.13Å; K10-E12 IonicContact NZ-OE1 2.68Å; K10-E12 PolarHBondContact NZ-OE1 3.14Å; K10-E12 PolarHBondContact O-N 3.04Å; K10-E12 VanDerWaalsContact O-N 3.14Å; E12-V14 HydrophobicContact CB-CG2 4.24Å; E12-V14 PolarHBondContact O-N 3.39Å
13T28.3Very low29.7Very low119 Ų119121.3 Ų121.373%0.7366%0.656SS**  trans-67.977.6168.833.60000108.6V11 G15V11-T13 PolarHBondContact O-N 3.42Å; T13-G15 VanDerWaalsContact C-N 3.25Å; T13-G15 PolarHBondContact O-N 2.94Å
14V30.6Very low29.7Very low118 Ų118122.5 Ų122.572%0.71565%0.648SS**  trans-67.890.1167.6-174.80000106E12E12-V14 HydrophobicContact CB-CG2 4.24Å; E12-V14 PolarHBondContact O-N 3.39Å
15G26.5Very low30.1Very low46 Ų46124.1 Ų124.147%0.47464%0.644SS.*  trans39.484.2175.800000113.7T13 N17T13-G15 VanDerWaalsContact C-N 3.25Å; T13-G15 PolarHBondContact O-N 2.94Å; G15-N17 PolarHBondContact O-N 2.91Å
16A26.3Very low30.5Very low62 Ų62121.6 Ų121.651%0.51263%0.625SS.*  trans-57.8100.9177.600000109.8I18A16-I18 VanDerWaalsContact C-N 3.3Å; A16-I18 HydrophobicContact CB-CG1 4.32Å; A16-I18 PolarHBondContact O-N 3.11Å
17N27.4Very low31.2Very low100 Ų100114.4 Ų114.454%0.53561%0.608SS.*  trans-69.195.9160.9-82.7-57000106.1G15 G19 Q49G15-N17 PolarHBondContact O-N 2.91Å; N17-G19 PolarHBondContact O-N 2.75Å; N17-Q49 HydrophobicContact CB-CG 4.11Å; N17-Q49 PolarHBondContact ND2-NE2 2.98Å; N17-Q49 PolarHBondContact OD1-NE2 2.95Å
18I29.2Very low32.1Very low94 Ų94111.2 Ų111.248%0.48260%0.598SS.*EExtended strand (participates in β ladder)trans-76.388.2172.2-56.5175.2000105.7A16 F20 T50A16-I18 VanDerWaalsContact C-N 3.3Å; A16-I18 HydrophobicContact CB-CG1 4.32Å; A16-I18 PolarHBondContact O-N 3.11Å; I18-F20 HydrophobicContact CG2-CD2 3.94Å; I18-F20 HydrophobicContact CG2-CE2 3.5Å; I18-F20 VanDerWaalsContact CG2-CE2 3.5Å; I18-F20 HydrophobicContact CG2-CZ 4.2Å; I18-T50 PolarHBondContact N-O 3.12Å; I18-T50 PolarHBondContact O-N 3.25Å; I18-T50 PolarHBondContact O-OG1 3.43Å; I18-T50 VanDerWaalsContact O-OG1 3.12Å
19G29.6Very low32.9Very low46 Ų46101 Ų10147%0.47456%0.561SS.*EExtended strand (participates in β ladder)trans-92.9106.3172.200000111.2N17 G21 I48N17-G19 PolarHBondContact O-N 2.75Å; G19-G21 VanDerWaalsContact C-N 3.33Å; G19-G21 PolarHBondContact O-N 3.3Å; G19-G21 VanDerWaalsContact O-N 3.09Å; G19-I48 WeakPolarHBondContact CA-O 3.45Å
20F30.7Very low34Very low164 Ų164100.6 Ų100.672%0.71955%0.551SS**EExtended strand (participates in β ladder)trans-79.987.1166.3-74.7-83.2000108.4I18 G47 I48I18-F20 HydrophobicContact CG2-CD2 3.94Å; I18-F20 HydrophobicContact CG2-CE2 3.5Å; I18-F20 VanDerWaalsContact CG2-CE2 3.5Å; I18-F20 HydrophobicContact CG2-CZ 4.2Å; F20-G47 WeakPolarHBondContact O-CA 3.34Å; F20-I48 PolarHBondContact N-O 2.71Å; F20-I48 PolarHBondContact O-N 2.71Å
21G34.4Very low35.4Very low50 Ų5099.2 Ų99.252%0.51555%0.551SS.*EExtended strand (participates in β ladder)trans-92.4110.2171.700000112.6G19 G23 R46G19-G21 VanDerWaalsContact C-N 3.33Å; G19-G21 PolarHBondContact O-N 3.3Å; G19-G21 VanDerWaalsContact O-N 3.09Å; G21-G23 PolarHBondContact O-N 3.07Å; G21-R46 CarbonylContact C-O 3.47Å; G21-R46 WeakPolarHBondContact CA-O 3.32Å
22R32.7Very low36.5Very low232 Ų23297.3 Ų97.388%0.87554%0.536SS*.EExtended strand (participates in β ladder)trans-84.188159.9-77.3-170.7175.7-171.4-0.8107.4R46R22-R46 PolarHBondContact N-O 2.72Å; R22-R46 PolarHBondContact O-N 2.83Å; R22-R46 VanDerWaalsContact O-N 3.07Å
23G37.4Very low37.5Very low32 Ų3297.3 Ų97.333%0.3355%0.547SS..EExtended strand (participates in β ladder)trans-87.8143.5167.100000111.8G21 E25 I44G21-G23 PolarHBondContact O-N 3.07Å; G23-E25 PolarHBondContact O-N 2.9Å; G23-I44 CarbonylContact C-O 3.56Å; G23-I44 WeakPolarHBondContact CA-O 3.33Å
24I39.2Very low38.4Very low123 Ų12394.2 Ų94.263%0.63154%0.539SS*.EExtended strand (participates in β ladder)trans-79.5109.8159.6-59.6173.3000105S43 I44I24-S43 CarbonylContact O-C 3.55Å; I24-S43 VanDerWaalsContact O-CA 3.29Å; I24-S43 WeakPolarHBondContact O-CA 3.36Å; I24-I44 PolarHBondContact N-O 2.62Å; I24-I44 PolarHBondContact O-N 3.05Å
25E42.3Very low38.7Very low154 Ų15490.8 Ų90.872%0.7252%0.516SS*.EExtended strand (participates in β ladder)trans-63.5133.6168.9-68179.617900109.2G23 P27G23-E25 PolarHBondContact O-N 2.9Å; E25-P27 WeakPolarHBondContact O-CD 3.47Å
26L41.5Very low39.5Very low31 Ų3197.7 Ų97.716%0.16253%0.527CS..  trans-108.374.6173-62.3164.8000107.7F28 L29 A42 I44 L70L26-F28 HydrophobicContact CB-CD1 4.27Å; L26-F28 HydrophobicContact CB-CE1 3.79Å; L26-F28 HydrophobicContact CB-CZ 4.13Å; L26-F28 HydrophobicContact CD2-CE1 3.48Å; L26-F28 VanDerWaalsContact CD2-CE1 3.48Å; L26-F28 HydrophobicContact CD2-CZ 3.89Å; L26-F28 HydrophobicContact CG-CE1 4.19Å; L26-F28 HydrophobicContact CG-CZ 4.45Å; L26-F28 PolarHBondContact O-N 3.21Å; L26-F28 VanDerWaalsContact O-N 3.1Å; L26-L29 HydrophobicContact CB-CD1 3.68Å; L26-L29 HydrophobicContact CB-CG 3.95Å; L26-L29 HydrophobicContact CD1-CD1 3.8Å; L26-L29 HydrophobicContact CG-CD1 4.42Å; L26-L29 WeakPolarHBondContact O-CB 3.29Å; L26-L29 PolarHBondContact O-N 3.1Å; L26-A42 WeakPolarHBondContact CA-O 3.47Å; L26-A42 VanDerWaalsContact CB-O 3.3Å; L26-A42 WeakPolarHBondContact CB-O 3.21Å; L26-A42 PolarHBondContact N-O 3.09Å; L26-I44 HydrophobicContact CD1-CD1 3.8Å; L26-I44 HydrophobicContact CD1-CG1 3.78Å; L26-L70 HydrophobicContact CD1-CD2 3.59Å
27P47Very low40.6Very low77 Ų77101.9 Ų101.950%0.554%0.541SS..G310 helixtrans-60.4-27.4-172.424.3-35.1000112.5E25 L29 Q30E25-P27 WeakPolarHBondContact O-CD 3.47Å; P27-L29 PolarHBondContact O-N 2.73Å; P27-Q30 WeakPolarHBondContact O-CB 3.3Å; P27-Q30 PolarHBondContact O-N 2.9Å
28F47.4Very low41.3Very low119 Ų119101.4 Ų101.452%0.52254%0.542SS..G310 helixtrans-61.6-25.6178.267.1-95.7000113.4L26 Q30 N31L26-F28 HydrophobicContact CB-CD1 4.27Å; L26-F28 HydrophobicContact CB-CE1 3.79Å; L26-F28 HydrophobicContact CB-CZ 4.13Å; L26-F28 HydrophobicContact CD2-CE1 3.48Å; L26-F28 VanDerWaalsContact CD2-CE1 3.48Å; L26-F28 HydrophobicContact CD2-CZ 3.89Å; L26-F28 HydrophobicContact CG-CE1 4.19Å; L26-F28 HydrophobicContact CG-CZ 4.45Å; L26-F28 PolarHBondContact O-N 3.21Å; L26-F28 VanDerWaalsContact O-N 3.1Å; F28-Q30 PolarHBondContact O-N 2.89Å; F28-N31 WeakPolarHBondContact O-CB 3.28Å; F28-N31 PolarHBondContact O-N 2.96Å; F28-N31 VanDerWaalsContact O-N 3.14Å
29L41.6Very low41.9Very low20 Ų2097.6 Ų97.611%0.10552%0.522CS..G310 helixtrans-68-27.8176.9-63176.7000111.8L26 P27 N31 I32 M35 A42 L70L26-L29 HydrophobicContact CB-CD1 3.68Å; L26-L29 HydrophobicContact CB-CG 3.95Å; L26-L29 HydrophobicContact CD1-CD1 3.8Å; L26-L29 HydrophobicContact CG-CD1 4.42Å; L26-L29 WeakPolarHBondContact O-CB 3.29Å; L26-L29 PolarHBondContact O-N 3.1Å; P27-L29 PolarHBondContact O-N 2.73Å; L29-N31 PolarHBondContact O-N 2.84Å; L29-I32 PolarHBondContact O-N 2.62Å; L29-M35 HydrophobicContact CB-CE 3.61Å; L29-M35 HydrophobicContact CD2-CE 3.21Å; L29-M35 HydrophobicContact CG-CE 3.94Å; L29-A42 HydrophobicContact CB-CB 3.98Å; L29-A42 HydrophobicContact CD1-CB 4.13Å; L29-L70 HydrophobicContact CD1-CD1 4.31Å; L29-L70 HydrophobicContact CD1-CD2 3.24Å; L29-L70 HydrophobicContact CD1-CG 4.37Å
30Q49.5Very low42.7Very low118 Ų11899.3 Ų99.355%0.55153%0.525SS*.G310 helixtrans-70.4-22.4175.1-55.5-175.78.300112.1P27 F28 A42P27-Q30 WeakPolarHBondContact O-CB 3.3Å; P27-Q30 PolarHBondContact O-N 2.9Å; F28-Q30 PolarHBondContact O-N 2.89Å; Q30-A42 HydrophobicContact CG-CB 4.31Å
31N51.4Low43.2Very low137 Ų13795.4 Ų95.473%0.73351%0.511SS*.G310 helixtrans-84.5-7.7178.8-68-23.4000113.4F28 L29 P33F28-N31 WeakPolarHBondContact O-CB 3.28Å; F28-N31 PolarHBondContact O-N 2.96Å; F28-N31 VanDerWaalsContact O-N 3.14Å; L29-N31 PolarHBondContact O-N 2.84Å; N31-P33 WeakPolarHBondContact O-CD 3.25Å
32I49.6Very low43.6Very low77 Ų7793.3 Ų93.340%0.39549%0.489SS..SBendtrans-86.8117.4177.2-51.8-166.2000109.1L29 G34 M35L29-I32 PolarHBondContact O-N 2.62Å; I32-G34 PolarHBondContact O-N 3.44Å; I32-M35 HydrophobicContact CB-CB 4.25Å; I32-M35 HydrophobicContact CB-CE 3.87Å; I32-M35 HydrophobicContact CB-CG 4.03Å; I32-M35 HydrophobicContact CB-SD 4.46Å; I32-M35 HydrophobicContact CD1-CE 3.6Å; I32-M35 HydrophobicContact CD1-SD 4.35Å; I32-M35 HydrophobicContact CG1-CE 3.92Å; I32-M35 HydrophobicContact CG2-CE 4.44Å; I32-M35 HydrophobicContact CG2-CG 3.93Å; I32-M35 HydrophobicContact CG2-SD 4.43Å; I32-M35 PolarHBondContact O-N 2.93Å; I32-M35 VanDerWaalsContact O-N 3.11Å
33P45.3Very low44.1Very low124 Ų12483 Ų8381%0.80545%0.452SS*.THydrogen-bonded Turntrans-54.9130.2175.3-21.532.2000110.5N31N31-P33 WeakPolarHBondContact O-CD 3.25Å
34G46.6Very low44.2Very low54 Ų5485 Ų8556%0.55746%0.455SS*.THydrogen-bonded Turntrans93.4-27.3-178.300000114.9I32 V38I32-G34 PolarHBondContact O-N 3.44Å; G34-V38 WeakPolarHBondContact O-CG2 3.5Å
35M36.6Very low44.4Very low47 Ų4779.5 Ų79.523%0.23243%0.429CS..G310 helixtrans-81.7-22.6179.3-64.5-149.5-38.900114.1L29 I32 N37 V38 I39L29-M35 HydrophobicContact CB-CE 3.61Å; L29-M35 HydrophobicContact CD2-CE 3.21Å; L29-M35 HydrophobicContact CG-CE 3.94Å; I32-M35 HydrophobicContact CB-CB 4.25Å; I32-M35 HydrophobicContact CB-CE 3.87Å; I32-M35 HydrophobicContact CB-CG 4.03Å; I32-M35 HydrophobicContact CB-SD 4.46Å; I32-M35 HydrophobicContact CD1-CE 3.6Å; I32-M35 HydrophobicContact CD1-SD 4.35Å; I32-M35 HydrophobicContact CG1-CE 3.92Å; I32-M35 HydrophobicContact CG2-CE 4.44Å; I32-M35 HydrophobicContact CG2-CG 3.93Å; I32-M35 HydrophobicContact CG2-SD 4.43Å; I32-M35 PolarHBondContact O-N 2.93Å; I32-M35 VanDerWaalsContact O-N 3.11Å; M35-N37 PolarHBondContact O-N 3.37Å; M35-N37 VanDerWaalsContact O-N 3.15Å; M35-V38 PolarHBondContact O-N 2.87Å; M35-I39 HydrophobicContact CE-CD1 4.25Å; M35-I39 PolarHBondContact O-N 2.97Å; M35-I39 HydrophobicContact SD-CD1 4.17Å
36R43.6Very low44.2Very low190 Ų19079.7 Ų79.772%0.71742%0.423SS*.G310 helixtrans-55.1-32.9176.8-167.9178.9-177.6-171.51.6113.1
37N49.6Very low44.3Very low151 Ų15179.2 Ų79.281%0.80743%0.426SS*.G310 helixtrans-87.4-18.9178.8-66.1-14.9000113M35M35-N37 PolarHBondContact O-N 3.37Å; M35-N37 VanDerWaalsContact O-N 3.15Å
38V41.6Very low44Very low89 Ų8980.4 Ų80.454%0.53943%0.427SS..THydrogen-bonded Turntrans-92.9-37.8-176.3-1780000111G34 M35 P40G34-V38 WeakPolarHBondContact O-CG2 3.5Å; M35-V38 PolarHBondContact O-N 2.87Å; V38-P40 WeakPolarHBondContact O-CD 3.12Å
39I42.8Very low43.9Very low15 Ų1578 Ų788%0.07742%0.417CS..  trans-121.580.3-176-57163.6000108.1M35 D41 A42 L70M35-I39 HydrophobicContact CE-CD1 4.25Å; M35-I39 PolarHBondContact O-N 2.97Å; M35-I39 HydrophobicContact SD-CD1 4.17Å; I39-D41 WeakPolarHBondContact CG2-O 3.43Å; I39-D41 PolarHBondContact O-N 3.15Å; I39-A42 HydrophobicContact CG2-CB 4.01Å; I39-L70 HydrophobicContact CD1-CB 4.31Å; I39-L70 HydrophobicContact CD1-CD1 4.17Å; I39-L70 HydrophobicContact CG1-CB 4.38Å; I39-L70 HydrophobicContact CG2-CB 3.96Å; I39-L70 HydrophobicContact CG2-CD2 4.44Å; I39-L70 WeakPolarHBondContact CG2-O 3.33Å
40P45.3Very low43.8Very low82 Ų8278.7 Ų78.753%0.53242%0.423SS..SBendtrans-69.4-21177.429.1-36.4000112.4V38V38-P40 WeakPolarHBondContact O-CD 3.12Å
41D42.4Very low43.4Very low81 Ų8173.7 Ų73.743%0.43340%0.403SS..  trans-119.886.3173.5-165.3-12.7000108.4I39 S43 L70I39-D41 WeakPolarHBondContact CG2-O 3.43Å; I39-D41 PolarHBondContact O-N 3.15Å; D41-S43 PolarHBondContact O-N 3.48Å; D41-S43 WeakPolarHBondContact OD1-CB 3.37Å; D41-S43 PolarHBondContact OD1-N 3.44Å; D41-S43 PolarHBondContact OD1-OG 2.79Å; D41-L70 CarbonylContact O-C 3.46Å
42A41.5Very low42.9Very low6 Ų674 Ų745%0.0540%0.398CS..  trans-75.437.7178.400000111.6L26 L29 Q30 I39L26-A42 WeakPolarHBondContact CA-O 3.47Å; L26-A42 VanDerWaalsContact CB-O 3.3Å; L26-A42 WeakPolarHBondContact CB-O 3.21Å; L26-A42 PolarHBondContact N-O 3.09Å; L29-A42 HydrophobicContact CB-CB 3.98Å; L29-A42 HydrophobicContact CD1-CB 4.13Å; Q30-A42 HydrophobicContact CG-CB 4.31Å; I39-A42 HydrophobicContact CG2-CB 4.01Å
43S43.1Very low42.8Very low15 Ų1573 Ų7311%0.10539%0.393CS..EExtended strand (participates in β ladder)trans-109143.8176.170.70000111.1I24 D41 L70I24-S43 CarbonylContact O-C 3.55Å; I24-S43 VanDerWaalsContact O-CA 3.29Å; I24-S43 WeakPolarHBondContact O-CA 3.36Å; D41-S43 PolarHBondContact O-N 3.48Å; D41-S43 WeakPolarHBondContact OD1-CB 3.37Å; D41-S43 PolarHBondContact OD1-N 3.44Å; D41-S43 PolarHBondContact OD1-OG 2.79Å; S43-L70 PolarHBondContact O-N 3.18Å
44I40.5Very low42.6Very low74 Ų7472.4 Ų72.438%0.37939%0.387SS..EExtended strand (participates in β ladder)trans-9192.5157.7-63.9173.6000106G23 I24 L26 N68G23-I44 CarbonylContact C-O 3.56Å; G23-I44 WeakPolarHBondContact CA-O 3.33Å; I24-I44 PolarHBondContact N-O 2.62Å; I24-I44 PolarHBondContact O-N 3.05Å; L26-I44 HydrophobicContact CD1-CD1 3.8Å; L26-I44 HydrophobicContact CD1-CG1 3.78Å; I44-N68 CarbonylContact C-O 3.45Å; I44-N68 VanDerWaalsContact CA-O 3.25Å; I44-N68 WeakPolarHBondContact CA-O 3.24Å
45G42.4Very low42.5Very low9 Ų975.3 Ų75.39%0.09339%0.387CS..EExtended strand (participates in β ladder)trans-78.1134.2-178.500000112.5R67 N68G45-R67 CarbonylContact O-C 3.45Å; G45-R67 WeakPolarHBondContact O-CA 3.41Å; G45-N68 PolarHBondContact N-O 3.09Å; G45-N68 PolarHBondContact O-N 2.79Å
46R37.9Very low42.8Very low157 Ų15779.5 Ų79.559%0.59242%0.417SS*.EExtended strand (participates in β ladder)trans-104.7118.3141.2-68.4-157.5-173.8179.810.8107.4G21 R22 G66 R67G21-R46 CarbonylContact C-O 3.47Å; G21-R46 WeakPolarHBondContact CA-O 3.32Å; R22-R46 PolarHBondContact N-O 2.72Å; R22-R46 PolarHBondContact O-N 2.83Å; R22-R46 VanDerWaalsContact O-N 3.07Å; R46-G66 CarbonylContact C-O 3.49Å; R46-G66 VanDerWaalsContact CA-O 3.28Å; R46-G66 WeakPolarHBondContact CA-O 3.38Å; R46-R67 HydrophobicContact CG-CG 4.06Å; R46-R67 VanDerWaalsContact CZ-NH2 3.32Å; R46-R67 VanDerWaalsContact NH2-CZ 3.32Å
47G44Very low42.9Very low21 Ų2172.4 Ų72.422%0.21640%0.403CS..EExtended strand (participates in β ladder)trans-129139.9176.800000113.7F20 G65 G66F20-G47 WeakPolarHBondContact O-CA 3.34Å; G47-G65 CarbonylContact O-C 3.53Å; G47-G65 WeakPolarHBondContact O-CA 3.34Å; G47-G66 PolarHBondContact N-O 2.68Å; G47-G66 PolarHBondContact O-N 3.18Å
48I40.8Very low42.6Very low102 Ų10271 Ų7152%0.52339%0.392SS..EExtended strand (participates in β ladder)trans-97.3105.7163.7-57.1172.3000105.7G19 F20 T50 S64G19-I48 WeakPolarHBondContact CA-O 3.45Å; F20-I48 PolarHBondContact N-O 2.71Å; F20-I48 PolarHBondContact O-N 2.71Å; I48-T50 HydrophobicContact CG2-CG2 4.07Å; I48-S64 CarbonylContact C-O 3.28Å
49Q46.6Very low42.8Very low68 Ų6873 Ų7332%0.31840%0.395SS..EExtended strand (participates in β ladder)trans-84.9110.2169.9178.7174.4-18.700108.9N17 L63 S64N17-Q49 HydrophobicContact CB-CG 4.11Å; N17-Q49 PolarHBondContact ND2-NE2 2.98Å; N17-Q49 PolarHBondContact OD1-NE2 2.95Å; Q49-L63 CarbonylContact O-C 3.48Å; Q49-L63 VanDerWaalsContact O-CA 3.32Å; Q49-L63 WeakPolarHBondContact O-CA 2.97Å; Q49-S64 WeakPolarHBondContact CB-OG 3.33Å; Q49-S64 PolarHBondContact N-O 3.05Å; Q49-S64 PolarHBondContact O-N 3.25Å
50T37.9Very low43.1Very low36 Ų3673.1 Ų73.122%0.22140%0.4CS..EExtended strand (participates in β ladder)trans-96.4118.5167.570.80000107.2I18 I48 G62 L63I18-T50 PolarHBondContact N-O 3.12Å; I18-T50 PolarHBondContact O-N 3.25Å; I18-T50 PolarHBondContact O-OG1 3.43Å; I18-T50 VanDerWaalsContact O-OG1 3.12Å; I48-T50 HydrophobicContact CG2-CG2 4.07Å; T50-G62 CarbonylContact C-O 3.37Å; T50-G62 VanDerWaalsContact CA-O 3.27Å; T50-G62 WeakPolarHBondContact CA-O 3.19Å; T50-L63 HydrophobicContact CG2-CD2 3.19Å
51G41.8Very low43.2Very low13 Ų1374.6 Ų74.613%0.13440%0.398CS..EExtended strand (participates in β ladder)trans-119.9126.1176.900000109.4F61 G62G51-F61 CarbonylContact O-C 3.45Å; G51-F61 WeakPolarHBondContact O-CA 3.3Å; G51-G62 PolarHBondContact N-O 3.02Å; G51-G62 PolarHBondContact O-N 3.18Å
52F40.6Very low43.4Very low142 Ų14271.6 Ų71.662%0.62339%0.386SS*.EExtended strand (participates in β ladder)trans-101.3109.9161.6-66.9-87.3000106.7T54 G60 F61F52-T54 HydrophobicContact CB-CG2 4.4Å; F52-G60 CarbonylContact C-O 3.4Å; F52-G60 VanDerWaalsContact CA-O 3.3Å; F52-G60 WeakPolarHBondContact CA-O 3.12Å; F52-F61 HydrophobicContact CD1-CB 3.93Å; F52-F61 HydrophobicContact CE1-CB 3.83Å
53N47.5Very low43.7Very low56 Ų5675.5 Ų75.530%0.29941%0.406SS..EExtended strand (participates in β ladder)trans-80114.2164.1-1676000107Q55 Q58 Q59 G60N53-Q55 WeakPolarHBondContact OD1-CB 3.45Å; N53-Q55 VanDerWaalsContact OD1-CG 3.25Å; N53-Q55 WeakPolarHBondContact OD1-CG 3.38Å; N53-Q55 PolarHBondContact OD1-N 2.82Å; N53-Q58 CarbonylContact C-O 3.25Å; N53-Q58 PolarHBondContact ND2-OE1 3.42Å; N53-Q59 CarbonylContact O-C 3.41Å; N53-Q59 VanDerWaalsContact O-CA 3.26Å; N53-Q59 WeakPolarHBondContact O-CA 2.75Å; N53-G60 PolarHBondContact N-O 2.74Å; N53-G60 PolarHBondContact O-N 2.72Å
54T42.1Very low44.1Very low112 Ų11275.9 Ų75.969%0.68741%0.409SS*.EExtended strand (participates in β ladder)trans-109.717.2175.559.80000111.4F52F52-T54 HydrophobicContact CB-CG2 4.4Å
55Q44.6Very low44.5Very low116 Ų11673.7 Ų73.754%0.54240%0.404SS..EExtended strand (participates in β ladder)trans-61.1136.6178.7-75.3177.99.500110N53 G57 Q58N53-Q55 WeakPolarHBondContact OD1-CB 3.45Å; N53-Q55 VanDerWaalsContact OD1-CG 3.25Å; N53-Q55 WeakPolarHBondContact OD1-CG 3.38Å; N53-Q55 PolarHBondContact OD1-N 2.82Å; Q55-G57 PolarHBondContact O-N 2.69Å; Q55-Q58 CarbonylContact O-C 3.48Å; Q55-Q58 VanDerWaalsContact O-C 3.26Å; Q55-Q58 PolarHBondContact O-N 2.72Å
56P42.7Very low45Very low134 Ų13473.9 Ų73.987%0.8741%0.407SS*.THydrogen-bonded Turntrans-52.4123.9172.9-23.832.5000110.4
57G45Very low45.6Very low41 Ų4172.7 Ų72.742%0.42340%0.402SS..THydrogen-bonded Turntrans92.8-15.2-176.100000115.7Q55 D84 G85Q55-G57 PolarHBondContact O-N 2.69Å; G57-D84 WeakPolarHBondContact O-CA 3.43Å; G57-G85 PolarHBondContact O-N 2.74Å
58Q43.7Very low45.9Very low123 Ų12374.7 Ų74.758%0.57541%0.408SS*.EExtended strand (participates in β ladder)trans-140.279.5174.8-67.3-170.21.400110.3N53 Q55N53-Q58 CarbonylContact C-O 3.25Å; N53-Q58 PolarHBondContact ND2-OE1 3.42Å; Q55-Q58 CarbonylContact O-C 3.48Å; Q55-Q58 VanDerWaalsContact O-C 3.26Å; Q55-Q58 PolarHBondContact O-N 2.72Å
59Q45.3Very low46.2Very low130 Ų13072.6 Ų72.661%0.60740%0.4SS*.EExtended strand (participates in β ladder)trans-87.3108.1170.5-70.2-1751000109N53 G82 A83N53-Q59 CarbonylContact O-C 3.41Å; N53-Q59 VanDerWaalsContact O-CA 3.26Å; N53-Q59 WeakPolarHBondContact O-CA 2.75Å; Q59-G82 CarbonylContact O-C 3.48Å; Q59-G82 VanDerWaalsContact O-C 3.25Å; Q59-G82 WeakPolarHBondContact O-CA 3.3Å; Q59-A83 CarbonylContact C-O 3.46Å; Q59-A83 PolarHBondContact N-O 2.8Å; Q59-A83 PolarHBondContact O-N 2.77Å
60G49.7Very low46.2Very low17 Ų1771.1 Ų71.118%0.17539%0.394CS..EExtended strand (participates in β ladder)trans-141151.6179.300000114.1F52 N53 G81 G82F52-G60 CarbonylContact C-O 3.4Å; F52-G60 VanDerWaalsContact CA-O 3.3Å; F52-G60 WeakPolarHBondContact CA-O 3.12Å; N53-G60 PolarHBondContact N-O 2.74Å; N53-G60 PolarHBondContact O-N 2.72Å; G60-G81 CarbonylContact C-O 3.46Å; G60-G81 WeakPolarHBondContact CA-O 3.34Å; G60-G82 VanDerWaalsContact CA-CA 3.41Å
61F46.3Very low46.7Very low113 Ų11370.2 Ų70.250%0.49639%0.391SS..EExtended strand (participates in β ladder)trans-105.9145.1166.363.1-87.1000109.2G51 F52 G80 G81G51-F61 CarbonylContact O-C 3.45Å; G51-F61 WeakPolarHBondContact O-CA 3.3Å; F52-F61 HydrophobicContact CD1-CB 3.93Å; F52-F61 HydrophobicContact CE1-CB 3.83Å; F61-G80 CarbonylContact O-C 3.56Å; F61-G80 WeakPolarHBondContact O-CA 3.37Å; F61-G81 WeakPolarHBondContact CD1-O 3.3Å; F61-G81 PolarHBondContact N-O 2.85Å; F61-G81 PolarHBondContact O-N 2.76Å
62G47.8Very low47.2Very low18 Ų1871.9 Ų71.919%0.18640%0.397CS..EExtended strand (participates in β ladder)trans-144.5127.7175.500000109.5T50 G51 I79T50-G62 CarbonylContact C-O 3.37Å; T50-G62 VanDerWaalsContact CA-O 3.27Å; T50-G62 WeakPolarHBondContact CA-O 3.19Å; G51-G62 PolarHBondContact N-O 3.02Å; G51-G62 PolarHBondContact O-N 3.18Å; G62-I79 CarbonylContact C-O 3.46Å
63L47.3Very low47.6Very low88 Ų8870 Ų7046%0.46139%0.388SS..EExtended strand (participates in β ladder)trans-109.2103.1166.5-57.9175.2000106.5Q49 T50 G78 I79Q49-L63 CarbonylContact O-C 3.48Å; Q49-L63 VanDerWaalsContact O-CA 3.32Å; Q49-L63 WeakPolarHBondContact O-CA 2.97Å; T50-L63 HydrophobicContact CG2-CD2 3.19Å; L63-G78 CarbonylContact O-C 3.44Å; L63-G78 WeakPolarHBondContact O-CA 3.29Å; L63-I79 PolarHBondContact N-O 2.81Å; L63-I79 PolarHBondContact O-N 2.82Å
64S52.2Low48Very low24 Ų2467.5 Ų67.517%0.16838%0.376CS..EExtended strand (participates in β ladder)trans-105.1107.4168.948.10000110.9I48 Q49 R77I48-S64 CarbonylContact C-O 3.28Å; Q49-S64 WeakPolarHBondContact CB-OG 3.33Å; Q49-S64 PolarHBondContact N-O 3.05Å; Q49-S64 PolarHBondContact O-N 3.25Å; S64-R77 CarbonylContact C-O 3.5Å; S64-R77 WeakPolarHBondContact CA-O 3.45Å
65G47.3Very low48.5Very low27 Ų2765.8 Ų65.828%0.27837%0.366SS..EExtended strand (participates in β ladder)trans-87.4120.216800000111.4G47 R77G47-G65 CarbonylContact O-C 3.53Å; G47-G65 WeakPolarHBondContact O-CA 3.34Å; G65-R77 CarbonylContact C-O 3.4Å; G65-R77 WeakPolarHBondContact CA-O 3.46Å; G65-R77 PolarHBondContact N-O 3.43Å; G65-R77 CarbonylContact O-C 3.49Å; G65-R77 WeakPolarHBondContact O-CA 3.26Å; G65-R77 WeakPolarHBondContact O-CB 3.5Å; G65-R77 PolarHBondContact O-N 3.47Å
66G54.4Low49.1Very low14 Ų1463.5 Ų63.514%0.14436%0.355CS..EExtended strand (participates in β ladder)trans-144.6158.7-177.900000117.1R46 G47 T75R46-G66 CarbonylContact C-O 3.49Å; R46-G66 VanDerWaalsContact CA-O 3.28Å; R46-G66 WeakPolarHBondContact CA-O 3.38Å; G47-G66 PolarHBondContact N-O 2.68Å; G47-G66 PolarHBondContact O-N 3.18Å; G66-T75 CarbonylContact C-O 3.59Å; G66-T75 VanDerWaalsContact C-O 3.23Å; G66-T75 WeakPolarHBondContact CA-O 3.27Å
67R49.3Very low49.6Very low131 Ų13165.3 Ų65.349%0.49434%0.344SS..EExtended strand (participates in β ladder)trans-102124.3168.7-48.8-160-1761637.9110.2G45 R46 G74 T75G45-R67 CarbonylContact O-C 3.45Å; G45-R67 WeakPolarHBondContact O-CA 3.41Å; R46-R67 HydrophobicContact CG-CG 4.06Å; R46-R67 VanDerWaalsContact CZ-NH2 3.32Å; R46-R67 VanDerWaalsContact NH2-CZ 3.32Å; R67-G74 CarbonylContact O-C 3.46Å; R67-G74 VanDerWaalsContact O-CA 3.3Å; R67-G74 WeakPolarHBondContact O-CA 3.32Å; R67-T75 PolarHBondContact N-O 3.16Å; R67-T75 PolarHBondContact O-N 2.78Å; R67-T75 PolarHBondContact O-OG1 3.14Å
68N50Low50.2Low64 Ų6464.1 Ų64.134%0.34233%0.332SS..EExtended strand (participates in β ladder)trans-107.7127.7170.1-69.1-33.8000108.9I44 G45 F73 G74I44-N68 CarbonylContact C-O 3.45Å; I44-N68 VanDerWaalsContact CA-O 3.25Å; I44-N68 WeakPolarHBondContact CA-O 3.24Å; G45-N68 PolarHBondContact N-O 3.09Å; G45-N68 PolarHBondContact O-N 2.79Å; N68-F73 CarbonylContact C-O 3.57Å; N68-F73 VanDerWaalsContact CA-O 3.3Å; N68-F73 WeakPolarHBondContact CA-O 3.47Å; N68-G74 WeakPolarHBondContact OD1-CA 3.46Å
69V48.1Very low50.8Low58 Ų5862.4 Ų62.435%0.35233%0.326SS..EExtended strand (participates in β ladder)trans-102.7107.4170.5-177.80000106.7G71 L72 F73V69-G71 PolarHBondContact O-N 2.74Å; V69-G71 VanDerWaalsContact O-N 3.1Å; V69-L72 PolarHBondContact O-N 2.75Å; V69-F73 HydrophobicContact CB-CB 4.16Å; V69-F73 PolarHBondContact N-O 3.17Å; V69-F73 PolarHBondContact O-N 3.01Å
70L47.2Very low51.4Low37 Ų3756.5 Ų56.519%0.19430%0.3CS..THydrogen-bonded Turntrans59.724.4171.7-51.8-179.3000114.5L26 L29 I39 D41 S43 L72L26-L70 HydrophobicContact CD1-CD2 3.59Å; L29-L70 HydrophobicContact CD1-CD1 4.31Å; L29-L70 HydrophobicContact CD1-CD2 3.24Å; L29-L70 HydrophobicContact CD1-CG 4.37Å; I39-L70 HydrophobicContact CD1-CB 4.31Å; I39-L70 HydrophobicContact CD1-CD1 4.17Å; I39-L70 HydrophobicContact CG1-CB 4.38Å; I39-L70 HydrophobicContact CG2-CB 3.96Å; I39-L70 HydrophobicContact CG2-CD2 4.44Å; I39-L70 WeakPolarHBondContact CG2-O 3.33Å; D41-L70 CarbonylContact O-C 3.46Å; S43-L70 PolarHBondContact O-N 3.18Å; L70-L72 HydrophobicContact CB-CD1 4.47Å; L70-L72 HydrophobicContact CB-CG 4.48Å; L70-L72 PolarHBondContact O-N 2.84Å
71G48.4Very low51.6Low16 Ų1656.1 Ų56.117%0.16530%0.297CS..THydrogen-bonded Turntrans61.14.4-169.400000114.7V69 R101V69-G71 PolarHBondContact O-N 2.74Å; V69-G71 VanDerWaalsContact O-N 3.1Å; G71-R101 WeakPolarHBondContact O-CG 3.24Å
72L51.2Low52.2Low48 Ų4851.3 Ų51.325%0.25128%0.279SS..THydrogen-bonded Turntrans-96.2-40.1-179.1-66.5175.2000111.2V69 L70 V99 M100V69-L72 PolarHBondContact O-N 2.75Å; L70-L72 HydrophobicContact CB-CD1 4.47Å; L70-L72 HydrophobicContact CB-CG 4.48Å; L70-L72 PolarHBondContact O-N 2.84Å; L72-V99 CarbonylContact O-C 3.43Å; L72-V99 WeakPolarHBondContact O-CA 3.05Å; L72-M100 WeakPolarHBondContact O-CA 3.39Å; L72-M100 PolarHBondContact O-N 3.36Å
73F50.4Low52.5Low102 Ų10251.5 Ų51.545%0.44728%0.279SS..EExtended strand (participates in β ladder)trans-122.1109.6-179.7-56.4-98.3000110N68 V69 S98 V99N68-F73 CarbonylContact C-O 3.57Å; N68-F73 VanDerWaalsContact CA-O 3.3Å; N68-F73 WeakPolarHBondContact CA-O 3.47Å; V69-F73 HydrophobicContact CB-CB 4.16Å; V69-F73 PolarHBondContact N-O 3.17Å; V69-F73 PolarHBondContact O-N 3.01Å; F73-S98 CarbonylContact C-O 3.56Å; F73-S98 WeakPolarHBondContact CA-O 3.47Å; F73-V99 HydrophobicContact CD1-CB 4.21Å; F73-V99 HydrophobicContact CD1-CG1 3.77Å; F73-V99 HydrophobicContact CD1-CG2 3.76Å; F73-V99 HydrophobicContact CE1-CB 4.34Å; F73-V99 HydrophobicContact CE1-CG1 3.44Å; F73-V99 VanDerWaalsContact CE1-CG1 3.44Å; F73-V99 HydrophobicContact CE1-CG2 4.12Å; F73-V99 HydrophobicContact CZ-CG1 4.19Å
74G55.3Low53.1Low4 Ų450.2 Ų50.24%0.04127%0.272CS..EExtended strand (participates in β ladder)trans-102137172.800000111.2R67 N68 W97 S98R67-G74 CarbonylContact O-C 3.46Å; R67-G74 VanDerWaalsContact O-CA 3.3Å; R67-G74 WeakPolarHBondContact O-CA 3.32Å; N68-G74 WeakPolarHBondContact OD1-CA 3.46Å; G74-W97 CarbonylContact O-C 3.56Å; G74-W97 WeakPolarHBondContact O-CA 3.5Å; G74-W97 VanDerWaalsContact O-CB 3.24Å; G74-W97 WeakPolarHBondContact O-CB 3.16Å; G74-S98 PolarHBondContact N-O 2.95Å; G74-S98 PolarHBondContact O-N 2.84Å
75T53.1Low52.9Low76 Ų7652.2 Ų52.247%0.46630%0.296SS..EExtended strand (participates in β ladder)trans-118.1114.8159.447.40000105.9G66 R67 N96 W97G66-T75 CarbonylContact C-O 3.59Å; G66-T75 VanDerWaalsContact C-O 3.23Å; G66-T75 WeakPolarHBondContact CA-O 3.27Å; R67-T75 PolarHBondContact N-O 3.16Å; R67-T75 PolarHBondContact O-N 2.78Å; R67-T75 PolarHBondContact O-OG1 3.14Å; T75-N96 CarbonylContact C-O 3.23Å; T75-W97 HydrophobicContact CG2-CB 3.92Å
76E56.9Low53.4Low68 Ų6857.5 Ų57.532%0.31831%0.314SS..EExtended strand (participates in β ladder)trans-112.1103.3-179.5-69.6175.7-160.100110N95 N96E76-N95 CarbonylContact O-C 3.39Å; E76-N96 CarbonylContact C-O 3.33Å; E76-N96 HydrophobicContact CB-CB 4.25Å; E76-N96 PolarHBondContact N-O 2.71Å; E76-N96 WeakPolarHBondContact O-CA 3.27Å; E76-N96 PolarHBondContact O-N 2.68Å
77R53.7Low53.5Low172 Ų17258.2 Ų58.265%0.64932%0.322SS*.EExtended strand (participates in β ladder)trans-84.4113165.7169.5175.3-98.2-161.1-10.7109.2S64 G65 G94 N95S64-R77 CarbonylContact C-O 3.5Å; S64-R77 WeakPolarHBondContact CA-O 3.45Å; G65-R77 CarbonylContact C-O 3.4Å; G65-R77 WeakPolarHBondContact CA-O 3.46Å; G65-R77 PolarHBondContact N-O 3.43Å; G65-R77 CarbonylContact O-C 3.49Å; G65-R77 WeakPolarHBondContact O-CA 3.26Å; G65-R77 WeakPolarHBondContact O-CB 3.5Å; G65-R77 PolarHBondContact O-N 3.47Å; R77-G94 CarbonylContact C-O 3.6Å; R77-G94 WeakPolarHBondContact CA-O 3.39Å; R77-N95 WeakPolarHBondContact CB-OD1 3.43Å; R77-N95 VanDerWaalsContact CG-OD1 3.24Å; R77-N95 WeakPolarHBondContact CG-OD1 3.49Å; R77-N95 PolarHBondContact NE-OD1 2.87Å
78G57.6Low54.1Low16 Ų1652.1 Ų52.117%0.16530%0.299CS..EExtended strand (participates in β ladder)trans-127147.6177.500000116.4L63 I93 G94L63-G78 CarbonylContact O-C 3.44Å; L63-G78 WeakPolarHBondContact O-CA 3.29Å; G78-I93 CarbonylContact O-C 3.27Å; G78-I93 WeakPolarHBondContact O-CA 3.01Å; G78-G94 PolarHBondContact N-O 2.84Å; G78-G94 PolarHBondContact O-N 2.68Å
79I54.6Low54.5Low87 Ų8756 Ų5645%0.44631%0.31SS..EExtended strand (participates in β ladder)trans-110.7117.5162.7-59.9175.3000105.5G62 L63 R92 I93G62-I79 CarbonylContact C-O 3.46Å; L63-I79 PolarHBondContact N-O 2.81Å; L63-I79 PolarHBondContact O-N 2.82Å; I79-R92 CarbonylContact C-O 3.48Å; I79-R92 WeakPolarHBondContact CA-O 3.01Å; I79-I93 HydrophobicContact CB-CG1 4.33Å; I79-I93 HydrophobicContact CG1-CB 4.48Å; I79-I93 HydrophobicContact CG1-CD1 4.32Å; I79-I93 HydrophobicContact CG1-CG1 4Å; I79-I93 HydrophobicContact CG1-CG2 4.06Å; I79-I93 HydrophobicContact CG2-CD1 4.37Å; I79-I93 HydrophobicContact CG2-CG1 4.01Å
80G59.4Low55.2Low6 Ų656.3 Ų56.36%0.06232%0.315CS..EExtended strand (participates in β ladder)trans-129.9162.1168.600000111.1F61 G91 R92F61-G80 CarbonylContact O-C 3.56Å; F61-G80 WeakPolarHBondContact O-CA 3.37Å; G80-G91 CarbonylContact O-C 3.41Å; G80-G91 WeakPolarHBondContact O-CA 3.38Å; G80-R92 PolarHBondContact N-O 2.89Å; G80-R92 PolarHBondContact O-N 2.83Å; G80-R92 VanDerWaalsContact O-O 3.04Å
81G53.7Low55.9Low10 Ų1056.1 Ų56.110%0.10332%0.322CS..EExtended strand (participates in β ladder)trans-157152.3167.600000109G60 F61 S90G60-G81 CarbonylContact C-O 3.46Å; G60-G81 WeakPolarHBondContact CA-O 3.34Å; F61-G81 WeakPolarHBondContact CD1-O 3.3Å; F61-G81 PolarHBondContact N-O 2.85Å; F61-G81 PolarHBondContact O-N 2.76Å; G81-S90 CarbonylContact C-O 3.56Å; G81-S90 VanDerWaalsContact C-O 3.27Å; G81-S90 WeakPolarHBondContact CA-O 3.22Å
82G59.2Low56.6Low12 Ų1263.9 Ų63.912%0.12435%0.346CS..EExtended strand (participates in β ladder)trans-151.1143.8174.700000112.4Q59 G60 Y89 S90Q59-G82 CarbonylContact O-C 3.48Å; Q59-G82 VanDerWaalsContact O-C 3.25Å; Q59-G82 WeakPolarHBondContact O-CA 3.3Å; G60-G82 VanDerWaalsContact CA-CA 3.41Å; G82-Y89 CarbonylContact O-C 3.49Å; G82-S90 PolarHBondContact N-O 2.77Å; G82-S90 PolarHBondContact O-N 2.91Å; G82-S90 PolarHBondContact O-OG 3.3Å; G82-S90 VanDerWaalsContact O-OG 3.04Å
83A53Low57.3Low22 Ų2266.5 Ų66.518%0.18236%0.359CS..EExtended strand (participates in β ladder)trans-77.5127.7162.300000108.9Q59 G88 Y89Q59-A83 CarbonylContact C-O 3.46Å; Q59-A83 PolarHBondContact N-O 2.8Å; Q59-A83 PolarHBondContact O-N 2.77Å; A83-G88 CarbonylContact C-O 3.41Å; A83-G88 WeakPolarHBondContact CA-O 3.08Å; A83-Y89 HydrophobicContact CB-CD1 3.9Å; A83-Y89 HydrophobicContact CB-CE1 3.86Å
84D59.1Low57.9Low61 Ų6162.1 Ų62.133%0.32634%0.343SS..EExtended strand (participates in β ladder)trans-69.8161.9158.966.637.2000109.8G57 Q86 G87 G88G57-D84 WeakPolarHBondContact O-CA 3.43Å; D84-Q86 PolarHBondContact O-N 3.06Å; D84-Q86 WeakPolarHBondContact OD1-CA 3.4Å; D84-Q86 PolarHBondContact OD1-N 2.8Å; D84-G87 PolarHBondContact O-N 3.27Å; D84-G87 PolarHBondContact OD1-N 2.8Å; D84-G88 PolarHBondContact N-O 2.68Å; D84-G88 WeakPolarHBondContact OD1-CA 3.31Å; D84-G88 PolarHBondContact OD1-N 2.73Å; D84-G88 WeakPolarHBondContact OD2-CA 3.36Å
85G50Low58.3Low65 Ų6565.4 Ų65.467%0.6736%0.36SS*.THydrogen-bonded Turntrans-67.1-2.2178.400000114.8G57G57-G85 PolarHBondContact O-N 2.74Å
86Q56Low58.7Low138 Ų13865.5 Ų65.565%0.64536%0.358SS*.THydrogen-bonded Turntrans-105.42.3-178.3-63.1179.543.900112.3D84D84-Q86 PolarHBondContact O-N 3.06Å; D84-Q86 WeakPolarHBondContact OD1-CA 3.4Å; D84-Q86 PolarHBondContact OD1-N 2.8Å
87G57Low58.6Low30 Ų3066.3 Ų66.331%0.30936%0.358SS..SBendtrans95.91.9177.600000114.3D84 Y89 P116D84-G87 PolarHBondContact O-N 3.27Å; D84-G87 PolarHBondContact OD1-N 2.8Å; G87-Y89 VanDerWaalsContact O-CD2 3.3Å; G87-Y89 WeakPolarHBondContact O-CD2 3.27Å; G87-Y89 WeakPolarHBondContact O-CE2 3.38Å; G87-P116 VanDerWaalsContact O-CD 3.3Å; G87-P116 WeakPolarHBondContact O-CD 2.99Å
88G61.5Low58.8Low2 Ų259.3 Ų59.32%0.02134%0.335CS..  trans-78.5132.1172.600000111.9A83 D84 I114A83-G88 CarbonylContact C-O 3.41Å; A83-G88 WeakPolarHBondContact CA-O 3.08Å; D84-G88 PolarHBondContact N-O 2.68Å; D84-G88 WeakPolarHBondContact OD1-CA 3.31Å; D84-G88 PolarHBondContact OD1-N 2.73Å; D84-G88 WeakPolarHBondContact OD2-CA 3.36Å; G88-I114 CarbonylContact C-O 3.57Å; G88-I114 VanDerWaalsContact CA-O 3.32Å; G88-I114 WeakPolarHBondContact CA-O 3.33Å
89Y59.1Low58.6Low145 Ų14560 Ų6057%0.56934%0.336SS*.EExtended strand (participates in β ladder)trans-104.1129.9176.8-60.7-90.5000109.2G82 A83 G87 H113 I114G82-Y89 CarbonylContact O-C 3.49Å; A83-Y89 HydrophobicContact CB-CD1 3.9Å; A83-Y89 HydrophobicContact CB-CE1 3.86Å; G87-Y89 VanDerWaalsContact O-CD2 3.3Å; G87-Y89 WeakPolarHBondContact O-CD2 3.27Å; G87-Y89 WeakPolarHBondContact O-CE2 3.38Å; Y89-H113 CarbonylContact O-C 3.56Å; Y89-H113 WeakPolarHBondContact O-CA 3.23Å; Y89-I114 PolarHBondContact N-O 2.74Å; Y89-I114 PolarHBondContact O-N 2.77Å
90S63.3Low58.6Low66 Ų6661 Ų6146%0.46234%0.34SS..EExtended strand (participates in β ladder)trans-113.2146.1169.464.50000109.7G81 G82 G112G81-S90 CarbonylContact C-O 3.56Å; G81-S90 VanDerWaalsContact C-O 3.27Å; G81-S90 WeakPolarHBondContact CA-O 3.22Å; G82-S90 PolarHBondContact N-O 2.77Å; G82-S90 PolarHBondContact O-N 2.91Å; G82-S90 PolarHBondContact O-OG 3.3Å; G82-S90 VanDerWaalsContact O-OG 3.04Å; S90-G112 CarbonylContact C-O 3.51Å; S90-G112 WeakPolarHBondContact CA-O 3.48Å
91G61.3Low58.2Low33 Ų3368.8 Ų68.834%0.3437%0.368SS..EExtended strand (participates in β ladder)trans-131.2146.4171.200000108.5G80 G111 G112G80-G91 CarbonylContact O-C 3.41Å; G80-G91 WeakPolarHBondContact O-CA 3.38Å; G91-G111 CarbonylContact O-C 3.44Å; G91-G111 WeakPolarHBondContact O-CA 3.34Å; G91-G112 PolarHBondContact N-O 2.78Å; G91-G112 PolarHBondContact O-N 2.74Å
92R62.4Low58.1Low178 Ų17869.9 Ų69.967%0.67238%0.379SS*.EExtended strand (participates in β ladder)trans-143.2130.5174.664.1-178.4-176.6177.70.2109.7I79 G80 I110I79-R92 CarbonylContact C-O 3.48Å; I79-R92 WeakPolarHBondContact CA-O 3.01Å; G80-R92 PolarHBondContact N-O 2.89Å; G80-R92 PolarHBondContact O-N 2.83Å; G80-R92 VanDerWaalsContact O-O 3.04Å; R92-I110 CarbonylContact C-O 3.5Å; R92-I110 WeakPolarHBondContact CA-O 3.36Å
93I66.7Low57.9Low103 Ų10375.4 Ų75.453%0.52841%0.405SS..EExtended strand (participates in β ladder)trans-125.6118.4171.4-58.9-176.4000106.6G78 I79 G109 I110G78-I93 CarbonylContact O-C 3.27Å; G78-I93 WeakPolarHBondContact O-CA 3.01Å; I79-I93 HydrophobicContact CB-CG1 4.33Å; I79-I93 HydrophobicContact CG1-CB 4.48Å; I79-I93 HydrophobicContact CG1-CD1 4.32Å; I79-I93 HydrophobicContact CG1-CG1 4Å; I79-I93 HydrophobicContact CG1-CG2 4.06Å; I79-I93 HydrophobicContact CG2-CD1 4.37Å; I79-I93 HydrophobicContact CG2-CG1 4.01Å; I93-G109 CarbonylContact O-C 3.57Å; I93-G109 VanDerWaalsContact O-CA 3.3Å; I93-G109 WeakPolarHBondContact O-CA 3.11Å; I93-I110 PolarHBondContact N-O 2.87Å; I93-I110 PolarHBondContact O-N 2.94Å
94G63.3Low57.8Low11 Ų1176 Ų7611%0.11341%0.406CS..EExtended strand (participates in β ladder)trans-158161.4-177.400000114.2R77 G78 R108R77-G94 CarbonylContact C-O 3.6Å; R77-G94 WeakPolarHBondContact CA-O 3.39Å; G78-G94 PolarHBondContact N-O 2.84Å; G78-G94 PolarHBondContact O-N 2.68Å; G94-R108 CarbonylContact C-O 3.38Å; G94-R108 WeakPolarHBondContact CA-O 3.3Å
95N63.2Low57.9Low73 Ų7375.6 Ų75.639%0.3941%0.408SS..EExtended strand (participates in β ladder)trans-103.5106.2164.6-59.9-28.8000106.7E76 R77 G107 R108E76-N95 CarbonylContact O-C 3.39Å; R77-N95 WeakPolarHBondContact CB-OD1 3.43Å; R77-N95 VanDerWaalsContact CG-OD1 3.24Å; R77-N95 WeakPolarHBondContact CG-OD1 3.49Å; R77-N95 PolarHBondContact NE-OD1 2.87Å; N95-G107 CarbonylContact O-C 3.42Å; N95-G107 WeakPolarHBondContact O-CA 3.38Å; N95-R108 PolarHBondContact N-O 2.79Å; N95-R108 PolarHBondContact O-N 2.68Å
96N61.9Low58.3Low78 Ų7872.9 Ų72.942%0.41738%0.38SS..EExtended strand (participates in β ladder)trans-90.7159.6167-61.85.1000108.5T75 E76 G106T75-N96 CarbonylContact C-O 3.23Å; E76-N96 CarbonylContact C-O 3.33Å; E76-N96 HydrophobicContact CB-CB 4.25Å; E76-N96 PolarHBondContact N-O 2.71Å; E76-N96 WeakPolarHBondContact O-CA 3.27Å; E76-N96 PolarHBondContact O-N 2.68Å; N96-G106 CarbonylContact C-O 3.58Å; N96-G106 WeakPolarHBondContact CA-O 3.4Å
97W55.3Low58.7Low85 Ų8567 Ų6732%0.32236%0.357SS..EExtended strand (participates in β ladder)trans-149.3148.3169.756.3-97.4000108.2G74 T75 V99 V104 S105 G106 V129G74-W97 CarbonylContact O-C 3.56Å; G74-W97 WeakPolarHBondContact O-CA 3.5Å; G74-W97 VanDerWaalsContact O-CB 3.24Å; G74-W97 WeakPolarHBondContact O-CB 3.16Å; T75-W97 HydrophobicContact CG2-CB 3.92Å; W97-V99 HydrophobicContact CE3-CG2 3.86Å; W97-V99 HydrophobicContact CZ3-CG2 3.68Å; W97-V104 HydrophobicContact CH2-CG1 4.14Å; W97-V104 HydrophobicContact CZ3-CG1 3.91Å; W97-S105 CarbonylContact O-C 3.48Å; W97-S105 VanDerWaalsContact O-CA 3.31Å; W97-S105 WeakPolarHBondContact O-CA 3.45Å; W97-G106 VanDerWaalsContact CE2-CA 3.43Å; W97-G106 PolarHBondContact N-O 2.76Å; W97-G106 PolarHBondContact O-N 3.45Å; W97-V129 HydrophobicContact CH2-CB 4.2Å; W97-V129 HydrophobicContact CH2-CG1 3.44Å; W97-V129 VanDerWaalsContact CH2-CG1 3.44Å; W97-V129 HydrophobicContact CH2-CG2 3.84Å; W97-V129 HydrophobicContact CZ2-CB 4.25Å; W97-V129 HydrophobicContact CZ2-CG1 3.99Å; W97-V129 HydrophobicContact CZ2-CG2 3.48Å; W97-V129 VanDerWaalsContact CZ2-CG2 3.48Å; W97-V129 HydrophobicContact CZ3-CG1 4.31Å
98S56.4Low59.1Low24 Ų2472 Ų7217%0.16837%0.366CS..EExtended strand (participates in β ladder)trans-130141.1177600000108.7F73 G74 V104F73-S98 CarbonylContact C-O 3.56Å; F73-S98 WeakPolarHBondContact CA-O 3.47Å; G74-S98 PolarHBondContact N-O 2.95Å; G74-S98 PolarHBondContact O-N 2.84Å; S98-V104 CarbonylContact C-O 3.45Å; S98-V104 WeakPolarHBondContact CA-O 3.31Å
99V54.4Low59.4Low32 Ų3272.7 Ų72.719%0.19437%0.373CS..EExtended strand (participates in β ladder)trans-119.1141.9171.5178.20000107.1L72 F73 W97 R101 G102 L103 V104L72-V99 CarbonylContact O-C 3.43Å; L72-V99 WeakPolarHBondContact O-CA 3.05Å; F73-V99 HydrophobicContact CD1-CB 4.21Å; F73-V99 HydrophobicContact CD1-CG1 3.77Å; F73-V99 HydrophobicContact CD1-CG2 3.76Å; F73-V99 HydrophobicContact CE1-CB 4.34Å; F73-V99 HydrophobicContact CE1-CG1 3.44Å; F73-V99 VanDerWaalsContact CE1-CG1 3.44Å; F73-V99 HydrophobicContact CE1-CG2 4.12Å; F73-V99 HydrophobicContact CZ-CG1 4.19Å; W97-V99 HydrophobicContact CE3-CG2 3.86Å; W97-V99 HydrophobicContact CZ3-CG2 3.68Å; V99-R101 PolarHBondContact O-N 2.75Å; V99-G102 PolarHBondContact O-N 2.67Å; V99-L103 PolarHBondContact O-N 2.78Å; V99-V104 HydrophobicContact CB-CB 4.22Å; V99-V104 PolarHBondContact N-O 3.23Å; V99-V104 PolarHBondContact O-N 2.78Å
100M54.1Low59.7Low108 Ų10870.3 Ų70.353%0.53237%0.369SS..G310 helixtrans42.862.1-171.2-59.2172.8-174.500112.4L72 G102 L103L72-M100 WeakPolarHBondContact O-CA 3.39Å; L72-M100 PolarHBondContact O-N 3.36Å; M100-G102 PolarHBondContact O-N 2.73Å; M100-G102 VanDerWaalsContact O-N 3.09Å; M100-L103 HydrophobicContact CB-CB 4.08Å; M100-L103 HydrophobicContact CB-CD1 3.69Å; M100-L103 HydrophobicContact CB-CG 4.26Å; M100-L103 WeakPolarHBondContact O-CG 3.09Å; M100-L103 PolarHBondContact O-N 2.73Å; M100-L103 HydrophobicContact SD-CD1 4.06Å
101R51Low60Low169 Ų16967.9 Ų67.964%0.63835%0.354SS*.G310 helixtrans53.730.8178.5-67.2-172.6154.7-147.1-13.8114.9G71 V99G71-R101 WeakPolarHBondContact O-CG 3.24Å; V99-R101 PolarHBondContact O-N 2.75Å
102G51.9Low60.3Low33 Ų3367.3 Ų67.334%0.3435%0.348SS..G310 helixtrans973.5175.600000115.2V99 M100 V104V99-G102 PolarHBondContact O-N 2.67Å; M100-G102 PolarHBondContact O-N 2.73Å; M100-G102 VanDerWaalsContact O-N 3.09Å; G102-V104 PolarHBondContact O-N 2.78Å
103L55.8Low60.7Low128 Ų12862 Ų6267%0.6733%0.331SS*.THydrogen-bonded Turntrans-53.3-39.2167.4-79173.4000111.3V99 M100V99-L103 PolarHBondContact O-N 2.78Å; M100-L103 HydrophobicContact CB-CB 4.08Å; M100-L103 HydrophobicContact CB-CD1 3.69Å; M100-L103 HydrophobicContact CB-CG 4.26Å; M100-L103 WeakPolarHBondContact O-CG 3.09Å; M100-L103 PolarHBondContact O-N 2.73Å; M100-L103 HydrophobicContact SD-CD1 4.06Å
104V50.2Low60.6Low33 Ų3361.6 Ų61.620%0.233%0.329CS..EExtended strand (participates in β ladder)trans-122118.2166.9-176.30000106.5W97 S98 V99 G102 V129 A130 F132W97-V104 HydrophobicContact CH2-CG1 4.14Å; W97-V104 HydrophobicContact CZ3-CG1 3.91Å; S98-V104 CarbonylContact C-O 3.45Å; S98-V104 WeakPolarHBondContact CA-O 3.31Å; V99-V104 HydrophobicContact CB-CB 4.22Å; V99-V104 PolarHBondContact N-O 3.23Å; V99-V104 PolarHBondContact O-N 2.78Å; G102-V104 PolarHBondContact O-N 2.78Å; V104-V129 HydrophobicContact CG1-CG1 3.42Å; V104-V129 VanDerWaalsContact CG1-CG1 3.42Å; V104-A130 WeakPolarHBondContact CA-O 3.41Å; V104-A130 WeakPolarHBondContact CG1-O 3.01Å; V104-F132 HydrophobicContact CG1-CD2 4.42Å; V104-F132 HydrophobicContact CG1-CE2 4.14Å; V104-F132 HydrophobicContact CG2-CE2 3.93Å
105S60.8Low61Low54 Ų5461.5 Ų61.538%0.37833%0.326SS..EExtended strand (participates in β ladder)trans-122.3122.5175.454.90000108.7W97 V129 A130W97-S105 CarbonylContact O-C 3.48Å; W97-S105 VanDerWaalsContact O-CA 3.31Å; W97-S105 WeakPolarHBondContact O-CA 3.45Å; S105-V129 CarbonylContact O-C 3.51Å; S105-A130 PolarHBondContact N-O 2.83Å; S105-A130 WeakPolarHBondContact O-CA 3.4Å; S105-A130 VanDerWaalsContact O-CB 3.27Å; S105-A130 WeakPolarHBondContact O-CB 2.91Å; S105-A130 PolarHBondContact O-N 2.76Å
106G59.3Low60.9Low8 Ų862 Ų628%0.08233%0.333CS..EExtended strand (participates in β ladder)trans-116.2168.8173.300000111N96 W97 G128N96-G106 CarbonylContact C-O 3.58Å; N96-G106 WeakPolarHBondContact CA-O 3.4Å; W97-G106 VanDerWaalsContact CE2-CA 3.43Å; W97-G106 PolarHBondContact N-O 2.76Å; W97-G106 PolarHBondContact O-N 3.45Å; G106-G128 CarbonylContact C-O 3.56Å; G106-G128 WeakPolarHBondContact CA-O 3.08Å
107G64.5Low60.9Low14 Ų1462.1 Ų62.114%0.14435%0.345CS..EExtended strand (participates in β ladder)trans-177.6157.2174.800000112.2N95 T127 G128N95-G107 CarbonylContact O-C 3.42Å; N95-G107 WeakPolarHBondContact O-CA 3.38Å; G107-T127 CarbonylContact O-C 3.58Å; G107-T127 VanDerWaalsContact O-CA 3.27Å; G107-T127 WeakPolarHBondContact O-CA 3.49Å; G107-G128 PolarHBondContact N-O 3.07Å; G107-G128 PolarHBondContact O-N 3.2Å
108R64.5Low61.4Low136 Ų13665.8 Ų65.851%0.51336%0.359SS..EExtended strand (participates in β ladder)trans-124.8115.2166.2174.1169.8168.5-173.7-3107.6G94 N95 R125 N126 T127G94-R108 CarbonylContact C-O 3.38Å; G94-R108 WeakPolarHBondContact CA-O 3.3Å; N95-R108 PolarHBondContact N-O 2.79Å; N95-R108 PolarHBondContact O-N 2.68Å; R108-R125 VanDerWaalsContact NH2-CZ 3.28Å; R108-N126 CarbonylContact C-O 3.48Å; R108-N126 VanDerWaalsContact CA-O 3.29Å; R108-N126 WeakPolarHBondContact CA-O 3.14Å; R108-T127 HydrophobicContact CB-CG2 4.3Å; R108-T127 WeakPolarHBondContact CG-OG1 3.26Å
109G67.8Low61.6Low16 Ų1665.2 Ų65.217%0.16536%0.357CS..EExtended strand (participates in β ladder)trans-133.7154.4178.200000111.7I93 R125 N126I93-G109 CarbonylContact O-C 3.57Å; I93-G109 VanDerWaalsContact O-CA 3.3Å; I93-G109 WeakPolarHBondContact O-CA 3.11Å; G109-R125 CarbonylContact O-C 3.26Å; G109-R125 VanDerWaalsContact O-CA 3.23Å; G109-R125 WeakPolarHBondContact O-CA 3.3Å; G109-R125 WeakPolarHBondContact O-CG 3.45Å; G109-N126 PolarHBondContact N-O 2.75Å; G109-N126 PolarHBondContact O-N 2.7Å; G109-N126 VanDerWaalsContact O-O 3.12Å
110I66.2Low62.2Low95 Ų9564.2 Ų64.249%0.48735%0.351SS..EExtended strand (participates in β ladder)trans-116.1122.1166.2-59.8168.7000105.7R92 I93 S124 R125R92-I110 CarbonylContact C-O 3.5Å; R92-I110 WeakPolarHBondContact CA-O 3.36Å; I93-I110 PolarHBondContact N-O 2.87Å; I93-I110 PolarHBondContact O-N 2.94Å; I110-S124 CarbonylContact C-O 3.51Å; I110-S124 VanDerWaalsContact CA-O 3.31Å; I110-S124 WeakPolarHBondContact CA-O 3.25Å; I110-R125 HydrophobicContact CG1-CB 4.15Å; I110-R125 HydrophobicContact CG1-CG 3.86Å
111G70Confident63.1Low14 Ų1462.4 Ų62.414%0.14434%0.34CS..EExtended strand (participates in β ladder)trans-112.6151.1170.500000111.6G91 F123 S124G91-G111 CarbonylContact O-C 3.44Å; G91-G111 WeakPolarHBondContact O-CA 3.34Å; G111-F123 CarbonylContact O-C 3.45Å; G111-F123 WeakPolarHBondContact O-CA 3.16Å; G111-S124 PolarHBondContact N-O 3.28Å; G111-S124 PolarHBondContact O-N 2.77Å; G111-S124 VanDerWaalsContact O-O 3.04Å
112G67.3Low64.1Low21 Ų2154.4 Ų54.422%0.21631%0.31CS..EExtended strand (participates in β ladder)trans-119.7154.216500000108.8S90 G91 G122S90-G112 CarbonylContact C-O 3.51Å; S90-G112 WeakPolarHBondContact CA-O 3.48Å; G91-G112 PolarHBondContact N-O 2.78Å; G91-G112 PolarHBondContact O-N 2.74Å; G112-G122 CarbonylContact C-O 3.48Å; G112-G122 VanDerWaalsContact CA-O 3.24Å; G112-G122 WeakPolarHBondContact CA-O 3.24Å
113H70.1Confident65.1Low67 Ų6757.5 Ų57.531%0.3132%0.315SS..EExtended strand (participates in β ladder)trans-137.8150.6160.870.2-63.3000109.2Y89 F121 G122 N140Y89-H113 CarbonylContact O-C 3.56Å; Y89-H113 WeakPolarHBondContact O-CA 3.23Å; H113-F121 CarbonylContact O-C 3.54Å; H113-F121 WeakPolarHBondContact O-CA 3.31Å; H113-G122 VanDerWaalsContact CE1-CA 3.48Å; H113-G122 WeakPolarHBondContact CE1-CA 3.32Å; H113-G122 PolarHBondContact CE1-N 3.21Å; H113-G122 PolarHBondContact N-O 2.78Å; H113-G122 PolarHBondContact ND1-O 3.14Å; H113-G122 VanDerWaalsContact ND1-O 3.08Å; H113-G122 PolarHBondContact O-N 3.46Å; H113-N140 PolarHBondContact CE1-OD1 2.76Å; H113-N140 PolarHBondContact NE2-OD1 2.72Å
114I65.8Low65.7Low94 Ų9454.1 Ų54.148%0.48230%0.302SS..EExtended strand (participates in β ladder)trans-139.4108.8176.6-56.9175.2000105.2G88 Y89 P116 S120 F121G88-I114 CarbonylContact C-O 3.57Å; G88-I114 VanDerWaalsContact CA-O 3.32Å; G88-I114 WeakPolarHBondContact CA-O 3.33Å; Y89-I114 PolarHBondContact N-O 2.74Å; Y89-I114 PolarHBondContact O-N 2.77Å; I114-P116 VanDerWaalsContact O-CD 3.31Å; I114-P116 WeakPolarHBondContact O-CD 2.99Å; I114-S120 CarbonylContact C-O 3.48Å; I114-S120 WeakPolarHBondContact CA-O 3.3Å; I114-F121 HydrophobicContact CB-CB 4.43Å; I114-F121 HydrophobicContact CG1-CB 4.06Å; I114-F121 HydrophobicContact CG2-CB 4.43Å
115D69.7Low66.5Low10 Ų1057.5 Ų57.55%0.05331%0.311CS..EExtended strand (participates in β ladder)trans-105.993170.2-173.8-20.6000108.7A117 R118 G119 S120D115-A117 VanDerWaalsContact C-N 3.25Å; D115-A117 PolarHBondContact O-N 3.04Å; D115-A117 WeakPolarHBondContact OD1-CB 3.13Å; D115-A117 PolarHBondContact OD1-N 2.89Å; D115-A117 VanDerWaalsContact OD1-N 3.08Å; D115-R118 HydrophobicContact CB-CB 4.18Å; D115-R118 CarbonylContact O-C 3.41Å; D115-R118 PolarHBondContact O-N 2.91Å; D115-R118 PolarHBondContact OD1-N 3.17Å; D115-R118 WeakPolarHBondContact OD2-CD 3.18Å; D115-R118 VanDerWaalsContact OD2-CG 3.25Å; D115-R118 WeakPolarHBondContact OD2-CG 3.24Å; D115-G119 CarbonylContact O-C 3.58Å; D115-G119 WeakPolarHBondContact O-CA 3.32Å; D115-G119 PolarHBondContact O-N 2.7Å; D115-S120 CarbonylContact C-O 3.56Å; D115-S120 PolarHBondContact N-O 2.85Å; D115-S120 PolarHBondContact O-N 2.93Å
116P61.7Low66.7Low82 Ų8258.3 Ų58.353%0.53231%0.311SS..THydrogen-bonded Turntrans-67.4-26.8-179.827.4-32.1000112.3G87 I114 R118 G119G87-P116 VanDerWaalsContact O-CD 3.3Å; G87-P116 WeakPolarHBondContact O-CD 2.99Å; I114-P116 VanDerWaalsContact O-CD 3.31Å; I114-P116 WeakPolarHBondContact O-CD 2.99Å; P116-R118 VanDerWaalsContact C-N 3.33Å; P116-G119 PolarHBondContact O-N 2.73Å
117A63.2Low66.8Low81 Ų8160.2 Ų60.267%0.66932%0.321SS*.THydrogen-bonded Turntrans-69.2-35.9177.700000111.2D115D115-A117 VanDerWaalsContact C-N 3.25Å; D115-A117 PolarHBondContact O-N 3.04Å; D115-A117 WeakPolarHBondContact OD1-CB 3.13Å; D115-A117 PolarHBondContact OD1-N 2.89Å; D115-A117 VanDerWaalsContact OD1-N 3.08Å
118R64.1Low66.4Low162 Ų16260.4 Ų60.461%0.61132%0.323SS*.THydrogen-bonded Turntrans-88-7.4172.1-67.7-171.6158.8157.9-9.3114.2D115 P116 S120D115-R118 HydrophobicContact CB-CB 4.18Å; D115-R118 CarbonylContact O-C 3.41Å; D115-R118 PolarHBondContact O-N 2.91Å; D115-R118 PolarHBondContact OD1-N 3.17Å; D115-R118 WeakPolarHBondContact OD2-CD 3.18Å; D115-R118 VanDerWaalsContact OD2-CG 3.25Å; D115-R118 WeakPolarHBondContact OD2-CG 3.24Å; P116-R118 VanDerWaalsContact C-N 3.33Å; R118-S120 PolarHBondContact O-N 3.08Å
119G60.5Low65.8Low12 Ų1256 Ų5612%0.12431%0.311CS..THydrogen-bonded Turntrans63.224.2-171.400000113.2D115 P116 L143D115-G119 CarbonylContact O-C 3.58Å; D115-G119 WeakPolarHBondContact O-CA 3.32Å; D115-G119 PolarHBondContact O-N 2.7Å; P116-G119 PolarHBondContact O-N 2.73Å; G119-L143 WeakPolarHBondContact O-CA 3.48Å; G119-L143 WeakPolarHBondContact O-CB 3.19Å; G119-L143 VanDerWaalsContact O-CG 3.25Å; G119-L143 WeakPolarHBondContact O-CG 3.16Å; G119-L143 PolarHBondContact O-N 2.95Å
120S67.8Low64.9Low12 Ų1257.4 Ų57.48%0.08432%0.321CS..EExtended strand (participates in β ladder)trans-106.5143.8-179.166.50000112.1I114 D115 R118 V141I114-S120 CarbonylContact C-O 3.48Å; I114-S120 WeakPolarHBondContact CA-O 3.3Å; D115-S120 CarbonylContact C-O 3.56Å; D115-S120 PolarHBondContact N-O 2.85Å; D115-S120 PolarHBondContact O-N 2.93Å; R118-S120 PolarHBondContact O-N 3.08Å; S120-V141 CarbonylContact C-O 3.44Å; S120-V141 WeakPolarHBondContact CA-O 3.47Å; S120-V141 WeakPolarHBondContact CB-O 3.45Å
121F72.2Confident64.1Low69 Ų6957.7 Ų57.730%0.30333%0.329SS..EExtended strand (participates in β ladder)trans-143.6143.916768.3-86.7000109.5H113 I114 F123 F139 N140 V141 L143H113-F121 CarbonylContact O-C 3.54Å; H113-F121 WeakPolarHBondContact O-CA 3.31Å; I114-F121 HydrophobicContact CB-CB 4.43Å; I114-F121 HydrophobicContact CG1-CB 4.06Å; I114-F121 HydrophobicContact CG2-CB 4.43Å; F121-F123 HydrophobicContact CD2-CE2 4.21Å; F121-F139 HydrophobicContact CE2-CE2 4.31Å; F121-N140 PolarHBondContact O-OD1 2.9Å; F121-V141 HydrophobicContact CD1-CB 4.05Å; F121-V141 HydrophobicContact CD1-CG1 4.36Å; F121-V141 HydrophobicContact CD2-CB 4.38Å; F121-V141 HydrophobicContact CD2-CG2 4.44Å; F121-V141 HydrophobicContact CE1-CB 3.64Å; F121-V141 HydrophobicContact CE1-CG1 3.64Å; F121-V141 HydrophobicContact CE1-CG2 4.21Å; F121-V141 HydrophobicContact CE2-CB 4Å; F121-V141 HydrophobicContact CE2-CG2 3.76Å; F121-V141 HydrophobicContact CG-CB 4.4Å; F121-V141 HydrophobicContact CZ-CB 3.62Å; F121-V141 HydrophobicContact CZ-CG1 3.82Å; F121-V141 HydrophobicContact CZ-CG2 3.63Å; F121-V141 PolarHBondContact N-O 3.08Å; F121-V141 WeakPolarHBondContact O-CA 3.19Å; F121-V141 PolarHBondContact O-N 3.4Å; F121-L143 HydrophobicContact CD1-CD1 4.43Å; F121-L143 HydrophobicContact CE1-CD1 4.16Å; F121-L143 HydrophobicContact CE1-CD2 4.49Å; F121-L143 HydrophobicContact CE1-CG 4.35Å
122G71.8Confident63.5Low1 Ų163.6 Ų63.61%0.0135%0.351CS..EExtended strand (participates in β ladder)trans-155.1147.5-179.800000112.7G112 H113 F139G112-G122 CarbonylContact C-O 3.48Å; G112-G122 VanDerWaalsContact CA-O 3.24Å; G112-G122 WeakPolarHBondContact CA-O 3.24Å; H113-G122 VanDerWaalsContact CE1-CA 3.48Å; H113-G122 WeakPolarHBondContact CE1-CA 3.32Å; H113-G122 PolarHBondContact CE1-N 3.21Å; H113-G122 PolarHBondContact N-O 2.78Å; H113-G122 PolarHBondContact ND1-O 3.14Å; H113-G122 VanDerWaalsContact ND1-O 3.08Å; H113-G122 PolarHBondContact O-N 3.46Å; G122-F139 CarbonylContact C-O 3.51Å; G122-F139 WeakPolarHBondContact CA-O 3.25Å
123F73.1Confident63Low99 Ų9970.4 Ų70.443%0.43438%0.375SS..EExtended strand (participates in β ladder)trans-113.2126.8174.3-64.4-91.3000108.3G111 F121 G138 F139G111-F123 CarbonylContact O-C 3.45Å; G111-F123 WeakPolarHBondContact O-CA 3.16Å; F121-F123 HydrophobicContact CD2-CE2 4.21Å; F123-G138 CarbonylContact O-C 3.59Å; F123-G138 WeakPolarHBondContact O-CA 3.48Å; F123-F139 HydrophobicContact CB-CD1 4.47Å; F123-F139 HydrophobicContact CB-CE1 3.89Å; F123-F139 HydrophobicContact CB-CZ 4.04Å; F123-F139 HydrophobicContact CD2-CE1 4.12Å; F123-F139 AromaticContact CD2-CE2 3.81Å; F123-F139 HydrophobicContact CD2-CE2 3.81Å; F123-F139 AromaticContact CD2-CZ 3.39Å; F123-F139 HydrophobicContact CD2-CZ 3.39Å; F123-F139 HydrophobicContact CE2-CZ 4.23Å; F123-F139 HydrophobicContact CG-CE1 4.4Å; F123-F139 HydrophobicContact CG-CZ 4.09Å; F123-F139 PolarHBondContact N-O 2.96Å; F123-F139 PolarHBondContact O-N 3.33Å
124S68.2Low62.4Low56 Ų5670.1 Ų70.139%0.39239%0.39SS..EExtended strand (participates in β ladder)trans-120.2142.917566.70000110.2I110 G111I110-S124 CarbonylContact C-O 3.51Å; I110-S124 VanDerWaalsContact CA-O 3.31Å; I110-S124 WeakPolarHBondContact CA-O 3.25Å; G111-S124 PolarHBondContact N-O 3.28Å; G111-S124 PolarHBondContact O-N 2.77Å; G111-S124 VanDerWaalsContact O-O 3.04Å
125R68.6Low61.9Low104 Ų10469.1 Ų69.139%0.39239%0.388SS..EExtended strand (participates in β ladder)trans-119115.1169.6-179.9173.9163.1-159.2-17.1107.3R108 G109 I110 R137R108-R125 VanDerWaalsContact NH2-CZ 3.28Å; G109-R125 CarbonylContact O-C 3.26Å; G109-R125 VanDerWaalsContact O-CA 3.23Å; G109-R125 WeakPolarHBondContact O-CA 3.3Å; G109-R125 WeakPolarHBondContact O-CG 3.45Å; I110-R125 HydrophobicContact CG1-CB 4.15Å; I110-R125 HydrophobicContact CG1-CG 3.86Å; R125-R137 WeakPolarHBondContact CA-O 3.17Å; R125-R137 PolarHBondContact N-O 3.34Å; R125-R137 PolarHBondContact O-N 2.74Å
126N63.5Low61.4Low72 Ų7274.5 Ų74.539%0.38542%0.417SS..EExtended strand (participates in β ladder)trans-94.6136.8172-167.6-2.6000109.1R108 G109 T135 N136R108-N126 CarbonylContact C-O 3.48Å; R108-N126 VanDerWaalsContact CA-O 3.29Å; R108-N126 WeakPolarHBondContact CA-O 3.14Å; G109-N126 PolarHBondContact N-O 2.75Å; G109-N126 PolarHBondContact O-N 2.7Å; G109-N126 VanDerWaalsContact O-O 3.12Å; N126-T135 CarbonylContact C-O 3.46Å; N126-T135 WeakPolarHBondContact CA-O 3.4Å; N126-T135 PolarHBondContact OD1-O 3.26Å; N126-N136 WeakPolarHBondContact CA-OD1 3.34Å; N126-N136 WeakPolarHBondContact CB-OD1 3.43Å; N126-N136 PolarHBondContact ND2-OD1 3.32Å; N126-N136 PolarHBondContact OD1-OD1 2.99Å
127T61.2Low61.3Low48 Ų4880 Ų8029%0.29443%0.427SS..EExtended strand (participates in β ladder)trans-140.3124165.3-59.10000108.5G107 R108 T135G107-T127 CarbonylContact O-C 3.58Å; G107-T127 VanDerWaalsContact O-CA 3.27Å; G107-T127 WeakPolarHBondContact O-CA 3.49Å; R108-T127 HydrophobicContact CB-CG2 4.3Å; R108-T127 WeakPolarHBondContact CG-OG1 3.26Å; T127-T135 PolarHBondContact N-O 2.89Å; T127-T135 WeakPolarHBondContact O-CA 3.25Å; T127-T135 PolarHBondContact O-N 3.2Å; T127-T135 PolarHBondContact O-OG1 2.89Å
128G56.5Low61.4Low17 Ų1778.9 Ų78.918%0.17542%0.424CS..EExtended strand (participates in β ladder)trans-171171.2-178.100000114.5G106 G107 F133G106-G128 CarbonylContact C-O 3.56Å; G106-G128 WeakPolarHBondContact CA-O 3.08Å; G107-G128 PolarHBondContact N-O 3.07Å; G107-G128 PolarHBondContact O-N 3.2Å; G128-F133 CarbonylContact C-O 3.36Å; G128-F133 WeakPolarHBondContact CA-O 3.49Å
129V53.1Low61.6Low44 Ų4476.8 Ų76.827%0.26742%0.419SS..EExtended strand (participates in β ladder)trans-127.295.2167.1-174.40000107.1W97 V104 S105 F132 F133W97-V129 HydrophobicContact CH2-CB 4.2Å; W97-V129 HydrophobicContact CH2-CG1 3.44Å; W97-V129 VanDerWaalsContact CH2-CG1 3.44Å; W97-V129 HydrophobicContact CH2-CG2 3.84Å; W97-V129 HydrophobicContact CZ2-CB 4.25Å; W97-V129 HydrophobicContact CZ2-CG1 3.99Å; W97-V129 HydrophobicContact CZ2-CG2 3.48Å; W97-V129 VanDerWaalsContact CZ2-CG2 3.48Å; W97-V129 HydrophobicContact CZ3-CG1 4.31Å; V104-V129 HydrophobicContact CG1-CG1 3.42Å; V104-V129 VanDerWaalsContact CG1-CG1 3.42Å; S105-V129 CarbonylContact O-C 3.51Å; V129-F132 HydrophobicContact CG1-CD2 4.15Å; V129-F132 PolarHBondContact O-N 2.84Å; V129-F133 CarbonylContact C-O 3.45Å; V129-F133 VanDerWaalsContact C-O 3.28Å; V129-F133 PolarHBondContact N-O 2.73Å; V129-F133 PolarHBondContact O-N 3.28Å; V129-F133 VanDerWaalsContact O-O 3.09Å
130A48.6Very low62.2Low46 Ų4680.9 Ų80.938%0.3844%0.438SS..EExtended strand (participates in β ladder)trans-67.8141169.700000110.1V104 S105V104-A130 WeakPolarHBondContact CA-O 3.41Å; V104-A130 WeakPolarHBondContact CG1-O 3.01Å; S105-A130 PolarHBondContact N-O 2.83Å; S105-A130 WeakPolarHBondContact O-CA 3.4Å; S105-A130 VanDerWaalsContact O-CB 3.27Å; S105-A130 WeakPolarHBondContact O-CB 2.91Å; S105-A130 PolarHBondContact O-N 2.76Å
131P49Very low62.2Low100 Ų10082.5 Ų82.565%0.64945%0.447SS*.THydrogen-bonded Turncis-87.2-4.31.934-35.5000114.7
132F56.6Low62Low138 Ų13884 Ų8461%0.60546%0.459SS*.THydrogen-bonded Turntrans-73.4-48.3-165.3-54.3-75.6000115V104 V129V104-F132 HydrophobicContact CG1-CD2 4.42Å; V104-F132 HydrophobicContact CG1-CE2 4.14Å; V104-F132 HydrophobicContact CG2-CE2 3.93Å; V129-F132 HydrophobicContact CG1-CD2 4.15Å; V129-F132 PolarHBondContact O-N 2.84Å
133F57.6Low61.6Low165 Ų16586.9 Ų86.972%0.72447%0.474SS*.EExtended strand (participates in β ladder)trans-145.5136.7-172-61.7-74.5000110.9G128 V129G128-F133 CarbonylContact C-O 3.36Å; G128-F133 WeakPolarHBondContact CA-O 3.49Å; V129-F133 CarbonylContact C-O 3.45Å; V129-F133 VanDerWaalsContact C-O 3.28Å; V129-F133 PolarHBondContact N-O 2.73Å; V129-F133 PolarHBondContact O-N 3.28Å; V129-F133 VanDerWaalsContact O-O 3.09Å
134G58.2Low60.9Low60 Ų6083.9 Ų83.962%0.61947%0.471SS*.EExtended strand (participates in β ladder)trans-146.5134.8173.300000110.6
135T54.9Low60.2Low74 Ų7487.3 Ų87.345%0.45449%0.485SS..EExtended strand (participates in β ladder)trans-123.9111.917453.10000109.2N126 T127N126-T135 CarbonylContact C-O 3.46Å; N126-T135 WeakPolarHBondContact CA-O 3.4Å; N126-T135 PolarHBondContact OD1-O 3.26Å; T127-T135 PolarHBondContact N-O 2.89Å; T127-T135 WeakPolarHBondContact O-CA 3.25Å; T127-T135 PolarHBondContact O-N 3.2Å; T127-T135 PolarHBondContact O-OG1 2.89Å
136N58Low59.4Low122 Ų12287.8 Ų87.865%0.65249%0.494SS*.EExtended strand (participates in β ladder)trans-98.9112.2168.2-75.3-32.4000107.9N126N126-N136 WeakPolarHBondContact CA-OD1 3.34Å; N126-N136 WeakPolarHBondContact CB-OD1 3.43Å; N126-N136 PolarHBondContact ND2-OD1 3.32Å; N126-N136 PolarHBondContact OD1-OD1 2.99Å
137R61.6Low58.8Low198 Ų19890.6 Ų90.675%0.74751%0.509SS*.EExtended strand (participates in β ladder)trans-116121.7171.6-65.9-172.4-174.9-173.71.4108.5R125R125-R137 WeakPolarHBondContact CA-O 3.17Å; R125-R137 PolarHBondContact N-O 3.34Å; R125-R137 PolarHBondContact O-N 2.74Å
138G64.7Low58.2Low58 Ų5891.2 Ų91.260%0.59853%0.525SS*.EExtended strand (participates in β ladder)trans-160.7165.9179.600000111.3F123F123-G138 CarbonylContact O-C 3.59Å; F123-G138 WeakPolarHBondContact O-CA 3.48Å
139F68.6Low57.7Low117 Ų117100.5 Ų100.551%0.51355%0.554SS.*EExtended strand (participates in β ladder)trans-117139.4166.465.4-88.7000107.7F121 G122 F123 V141F121-F139 HydrophobicContact CE2-CE2 4.31Å; G122-F139 CarbonylContact C-O 3.51Å; G122-F139 WeakPolarHBondContact CA-O 3.25Å; F123-F139 HydrophobicContact CB-CD1 4.47Å; F123-F139 HydrophobicContact CB-CE1 3.89Å; F123-F139 HydrophobicContact CB-CZ 4.04Å; F123-F139 HydrophobicContact CD2-CE1 4.12Å; F123-F139 AromaticContact CD2-CE2 3.81Å; F123-F139 HydrophobicContact CD2-CE2 3.81Å; F123-F139 AromaticContact CD2-CZ 3.39Å; F123-F139 HydrophobicContact CD2-CZ 3.39Å; F123-F139 HydrophobicContact CE2-CZ 4.23Å; F123-F139 HydrophobicContact CG-CE1 4.4Å; F123-F139 HydrophobicContact CG-CZ 4.09Å; F123-F139 PolarHBondContact N-O 2.96Å; F123-F139 PolarHBondContact O-N 3.33Å; F139-V141 HydrophobicContact CD2-CG2 3.94Å; F139-V141 HydrophobicContact CE2-CG2 4.25Å
140N73Confident57.4Low98 Ų98105.8 Ų105.852%0.52458%0.581SS.*EExtended strand (participates in β ladder)trans-117.8128.4169.8-17033.6000107.1H113 F121H113-N140 PolarHBondContact CE1-OD1 2.76Å; H113-N140 PolarHBondContact NE2-OD1 2.72Å; F121-N140 PolarHBondContact O-OD1 2.9Å
141V66.8Low56.9Low46 Ų46110 Ų11028%0.27963%0.63SS.*EExtended strand (participates in β ladder)trans-105.9117.8174-1770000106.4S120 F121 F139 L143S120-V141 CarbonylContact C-O 3.44Å; S120-V141 WeakPolarHBondContact CA-O 3.47Å; S120-V141 WeakPolarHBondContact CB-O 3.45Å; F121-V141 HydrophobicContact CD1-CB 4.05Å; F121-V141 HydrophobicContact CD1-CG1 4.36Å; F121-V141 HydrophobicContact CD2-CB 4.38Å; F121-V141 HydrophobicContact CD2-CG2 4.44Å; F121-V141 HydrophobicContact CE1-CB 3.64Å; F121-V141 HydrophobicContact CE1-CG1 3.64Å; F121-V141 HydrophobicContact CE1-CG2 4.21Å; F121-V141 HydrophobicContact CE2-CB 4Å; F121-V141 HydrophobicContact CE2-CG2 3.76Å; F121-V141 HydrophobicContact CG-CB 4.4Å; F121-V141 HydrophobicContact CZ-CB 3.62Å; F121-V141 HydrophobicContact CZ-CG1 3.82Å; F121-V141 HydrophobicContact CZ-CG2 3.63Å; F121-V141 PolarHBondContact N-O 3.08Å; F121-V141 WeakPolarHBondContact O-CA 3.19Å; F121-V141 PolarHBondContact O-N 3.4Å; F139-V141 HydrophobicContact CD2-CG2 3.94Å; F139-V141 HydrophobicContact CE2-CG2 4.25Å; V141-L143 HydrophobicContact CG1-CD2 3.67Å; V141-L143 HydrophobicContact CG1-CG 4.19Å
142D67.8Low57.3Low101 Ų101110.6 Ų110.654%0.5463%0.629SS.*EExtended strand (participates in β ladder)trans-103.4112.2170.2-168.3-17.6000107.8G144D142-G144 VanDerWaalsContact C-N 3.3Å; D142-G144 WeakPolarHBondContact OD1-CA 3.48Å; D142-G144 PolarHBondContact OD1-N 3.18Å
143L64.2Low57.4Low62 Ų62109.1 Ų109.133%0.32563%0.63SS.*  trans-881.2176.2-52.7172.2000112G119 F121 V141 D145 L146 L147G119-L143 WeakPolarHBondContact O-CA 3.48Å; G119-L143 WeakPolarHBondContact O-CB 3.19Å; G119-L143 VanDerWaalsContact O-CG 3.25Å; G119-L143 WeakPolarHBondContact O-CG 3.16Å; G119-L143 PolarHBondContact O-N 2.95Å; F121-L143 HydrophobicContact CD1-CD1 4.43Å; F121-L143 HydrophobicContact CE1-CD1 4.16Å; F121-L143 HydrophobicContact CE1-CD2 4.49Å; F121-L143 HydrophobicContact CE1-CG 4.35Å; V141-L143 HydrophobicContact CG1-CD2 3.67Å; V141-L143 HydrophobicContact CG1-CG 4.19Å; L143-D145 PolarHBondContact O-N 2.85Å; L143-L146 HydrophobicContact CD2-CD1 3.71Å; L143-L146 PolarHBondContact O-N 3.04Å; L143-L147 PolarHBondContact O-N 2.93Å
144G58.3Low57.4Low36 Ų36106 Ų10637%0.37163%0.625SS.*Hα-helixtrans-53.7-36.8178.100000112.4D142 G148D142-G144 VanDerWaalsContact C-N 3.3Å; D142-G144 WeakPolarHBondContact OD1-CA 3.48Å; D142-G144 PolarHBondContact OD1-N 3.18Å; G144-G148 PolarHBondContact O-N 3.24Å
145D52.9Low57.3Low128 Ų128108.7 Ų108.768%0.68463%0.625SS**Hα-helixtrans-78-19.2178.5-128.618.7000113.5L143L143-D145 PolarHBondContact O-N 2.85Å
146L52.4Low57.5Low114 Ų114110.9 Ų110.960%0.59764%0.636SS**Hα-helixtrans-84.3-34.9175-84.7158.8000112.2L143L143-L146 HydrophobicContact CD2-CD1 3.71Å; L143-L146 PolarHBondContact O-N 3.04Å
147L51Low57.4Low131 Ų131110.1 Ų110.169%0.68664%0.635SS**Hα-helixtrans-72.5-31.9174.9-77.8162.7000111.9L143 R149L143-L147 PolarHBondContact O-N 2.93Å; L147-R149 VanDerWaalsContact C-N 3.34Å; L147-R149 PolarHBondContact O-N 3.43Å
148G48.6Very low57.1Low61 Ų61103.9 Ų103.963%0.62963%0.627SS**THydrogen-bonded Turntrans-73.5-14.8178.700000115.9G144G144-G148 PolarHBondContact O-N 3.24Å
149R45.7Very low56.6Low211 Ų211107.4 Ų107.480%0.79663%0.629SS**THydrogen-bonded Turntrans-99.6-7.2-177.6-83.6-171-176.6-173.43.6116.1L147L147-R149 VanDerWaalsContact C-N 3.34Å; L147-R149 PolarHBondContact O-N 3.43Å
150N46.6Very low55.5Low155 Ų155106.6 Ų106.683%0.82964%0.638SS**  trans-115.213.5179.3-77.8-39.4000113.9
151G39.2Very low54Low136 Ų136107.4 Ų107.4100%1.40265%0.649SS**  trans-104.20173.400000112.3

Retrieved 151 of 151 residues in 60.4 ms (Link to these results)