A0A077ZID9_TRITR Loading...

VWA 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZID9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 677 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
1M79.3Confident82.3Confident97 Ų97117.2 Ų117.248%0.47854%0.541SS..  0154.30-69.8-174.8-79.800109.4L8 I9 E10 L21M1-L8 HydrophobicContact CB-CB 4.2Å; M1-L8 HydrophobicContact CE-CB 4.24Å; M1-L8 HydrophobicContact CE-CD1 4.4Å; M1-L8 HydrophobicContact SD-CB 3.66Å; M1-I9 CarbonylContact C-O 3.57Å; M1-I9 WeakPolarHBondContact CA-O 3.42Å; M1-I9 VanDerWaalsContact CB-O 3.25Å; M1-I9 WeakPolarHBondContact CB-O 3.21Å; M1-E10 HydrophobicContact CG-CG 4.2Å; M1-L21 HydrophobicContact CE-CD1 3.56Å
2E82Confident82.1Confident91 Ų91118.2 Ų118.243%0.42555%0.553SS.*EExtended strand (participates in β ladder)trans-111.2143.4164.259.5-178.5-156.800109.1I9 K11E2-I9 PolarHBondContact N-O 3.2Å; E2-I9 PolarHBondContact O-N 3.03Å; E2-K11 HydrophobicContact CG-CG 4.4Å
3E81.7Confident82Confident157 Ų157117.6 Ų117.673%0.73455%0.548SS*.EExtended strand (participates in β ladder)trans-85.3121.6173.1-171.1-178165.300108.5W7 L8E3-W7 CarbonylContact C-O 3.5Å; E3-W7 VanDerWaalsContact CA-O 3.28Å; E3-W7 WeakPolarHBondContact CA-O 3.43Å; E3-L8 HydrophobicContact CB-CD2 4.12Å; E3-L8 HydrophobicContact CG-CD2 4.45Å
4K82Confident82Confident115 Ų115114.1 Ų114.150%0.554%0.539SS..EExtended strand (participates in β ladder)trans-144.4126.7177.3-173.9-177.5176.7-169.90109.1E6 W7 I9K4-E6 PolarHBondContact O-N 3.18Å; K4-W7 PolarHBondContact N-O 2.85Å; K4-W7 WeakPolarHBondContact O-CB 3.41Å; K4-W7 PolarHBondContact O-N 3.07Å; K4-I9 HydrophobicContact CB-CD1 4.03Å; K4-I9 HydrophobicContact CD-CD1 4.43Å
5E81.9Confident81.5Confident163 Ų163120 Ų12076%0.76257%0.566SS**THydrogen-bonded Turntrans51.442.2178.8-64.3175.2-160.100112.9W7E5-W7 VanDerWaalsContact O-CD1 3.31Å; E5-W7 PolarHBondContact O-N 3.41Å
6E79.7Confident81.2Confident190 Ų190119.3 Ų119.389%0.88858%0.577SS**THydrogen-bonded Turntrans69.13.7-177.3-48.1-176.2159.700115.3K4K4-E6 PolarHBondContact O-N 3.18Å
7W85.2Confident80.8Confident103 Ų103117.7 Ų117.739%0.3957%0.569SS.*EExtended strand (participates in β ladder)trans-97.7142.8171.9-70.584.7000112.1E3 K4 E5 I9 E37E3-W7 CarbonylContact C-O 3.5Å; E3-W7 VanDerWaalsContact CA-O 3.28Å; E3-W7 WeakPolarHBondContact CA-O 3.43Å; K4-W7 PolarHBondContact N-O 2.85Å; K4-W7 WeakPolarHBondContact O-CB 3.41Å; K4-W7 PolarHBondContact O-N 3.07Å; E5-W7 VanDerWaalsContact O-CD1 3.31Å; E5-W7 PolarHBondContact O-N 3.41Å; W7-I9 HydrophobicContact CB-CD1 4.16Å; W7-I9 HydrophobicContact CB-CG1 3.76Å; W7-E37 HydrophobicContact CH2-CB 4Å; W7-E37 HydrophobicContact CZ3-CB 3.78Å
8L86.1Confident80.6Confident81 Ų81121.7 Ų121.742%0.42459%0.587SS.*EExtended strand (participates in β ladder)trans-93.1105164.4-68173.6000108.7M1 E3 L21M1-L8 HydrophobicContact CB-CB 4.2Å; M1-L8 HydrophobicContact CE-CB 4.24Å; M1-L8 HydrophobicContact CE-CD1 4.4Å; M1-L8 HydrophobicContact SD-CB 3.66Å; E3-L8 HydrophobicContact CB-CD2 4.12Å; E3-L8 HydrophobicContact CG-CD2 4.45Å; L8-L21 HydrophobicContact CD1-CD1 3.5Å; L8-L21 VanDerWaalsContact CD1-CD1 3.5Å; L8-L21 HydrophobicContact CD1-CD2 3.66Å; L8-L21 HydrophobicContact CD1-CG 4.18Å
9I86.7Confident80Confident71 Ų71123.6 Ų123.636%0.36459%0.587SS.*EExtended strand (participates in β ladder)trans-105.3137.4-172.6-48.9179.7000109.7M1 E2 K4 W7M1-I9 CarbonylContact C-O 3.57Å; M1-I9 WeakPolarHBondContact CA-O 3.42Å; M1-I9 VanDerWaalsContact CB-O 3.25Å; M1-I9 WeakPolarHBondContact CB-O 3.21Å; E2-I9 PolarHBondContact N-O 3.2Å; E2-I9 PolarHBondContact O-N 3.03Å; K4-I9 HydrophobicContact CB-CD1 4.03Å; K4-I9 HydrophobicContact CD-CD1 4.43Å; W7-I9 HydrophobicContact CB-CD1 4.16Å; W7-I9 HydrophobicContact CB-CG1 3.76Å
10E81.6Confident79.9Confident75 Ų75126.6 Ų126.635%0.3560%0.601SS.*  trans-65.9138.2169.2-64.8-157.315000110.8M1 D12 T14M1-E10 HydrophobicContact CG-CG 4.2Å; E10-D12 VanDerWaalsContact C-N 3.33Å; E10-T14 PolarHBondContact OE2-OG1 3.42Å
11K78.8Confident79.8Confident146 Ų146124.9 Ų124.964%0.63560%0.595SS**SBendtrans-72.3-30.3-176.8-70.2-173.2174-173.90112.8E2E2-K11 HydrophobicContact CG-CG 4.4Å
12D79.9Confident79.8Confident129 Ų129126.4 Ų126.469%0.6961%0.61SS**SBendtrans-137.2147.5-177.5-57.7-62.3000108.3E10 T14E10-D12 VanDerWaalsContact C-N 3.33Å; D12-T14 PolarHBondContact O-N 2.87Å
13F81.6Confident79.5Confident111 Ų111126.2 Ų126.249%0.48761%0.61SS.*  trans-64.5131.7172.5-75-96.8000110.2N39 Q41F13-N39 HydrophobicContact CE1-CB 4.09Å; F13-N39 WeakPolarHBondContact CE1-O 3.15Å; F13-N39 HydrophobicContact CZ-CB 4.4Å; F13-Q41 HydrophobicContact CD1-CB 3.67Å; F13-Q41 HydrophobicContact CD2-CB 4.15Å; F13-Q41 VanDerWaalsContact CD2-OE1 3.32Å; F13-Q41 HydrophobicContact CE1-CB 3.63Å; F13-Q41 HydrophobicContact CE2-CB 4.13Å; F13-Q41 HydrophobicContact CG-CB 3.93Å; F13-Q41 HydrophobicContact CZ-CB 3.88Å
14T81.2Confident79.3Confident68 Ų68123.5 Ų123.542%0.41762%0.615SS.*  trans-114.5143.8177.861.60000111E10 D12 S16E10-T14 PolarHBondContact OE2-OG1 3.42Å; D12-T14 PolarHBondContact O-N 2.87Å; T14-S16 VanDerWaalsContact C-N 3.35Å
15H74.7Confident79Confident203 Ų203120.2 Ų120.294%0.9461%0.605SS**SBendtrans-71.4-32.2177.8-175.966.9000112.2
16S77Confident78.7Confident108 Ų108116.3 Ų116.376%0.75559%0.593SS**SBendtrans-169.1138176.3169.50000108.4T14T14-S16 VanDerWaalsContact C-N 3.35Å
17Q74.7Confident78.5Confident93 Ų93117.5 Ų117.544%0.43560%0.595SS.*  trans-153.6148173.2-171.5157.248.500112.2R19Q17-R19 VanDerWaalsContact CD-CZ 3.47Å; Q17-R19 VanDerWaalsContact CD-NH2 3.28Å; Q17-R19 HydrophobicContact CG-CG 4.15Å; Q17-R19 VanDerWaalsContact NE2-CZ 3.28Å; Q17-R19 VanDerWaalsContact OE1-CZ 3.29Å; Q17-R19 VanDerWaalsContact OE1-NE 3.07Å
18E76.5Confident78.1Confident190 Ų190122.3 Ų122.389%0.88862%0.619SS**  trans-108.7134.6168.2-169.9176.2175.600109.2
19R70.4Confident77.5Confident158 Ų158123.1 Ų123.160%0.59662%0.621SS**  trans-138.4142.8-177.7-69.1-73.4-172.3-173.4-3110.3Q17Q17-R19 VanDerWaalsContact CD-CZ 3.47Å; Q17-R19 VanDerWaalsContact CD-NH2 3.28Å; Q17-R19 HydrophobicContact CG-CG 4.15Å; Q17-R19 VanDerWaalsContact NE2-CZ 3.28Å; Q17-R19 VanDerWaalsContact OE1-CZ 3.29Å; Q17-R19 VanDerWaalsContact OE1-NE 3.07Å
20E77.6Confident77.1Confident183 Ų183125.7 Ų125.786%0.85563%0.631SS**  trans-105.7130.2168.2-166.8178.6167.600109.2
21L76.8Confident77Confident91 Ų91127.2 Ų127.248%0.47664%0.637SS.*  trans-116.2121.5178.5-162.786.1000110.1M1 L8 I23M1-L21 HydrophobicContact CE-CD1 3.56Å; L8-L21 HydrophobicContact CD1-CD1 3.5Å; L8-L21 VanDerWaalsContact CD1-CD1 3.5Å; L8-L21 HydrophobicContact CD1-CD2 3.66Å; L8-L21 HydrophobicContact CD1-CG 4.18Å; L21-I23 HydrophobicContact CD2-CD1 3.87Å; L21-I23 HydrophobicContact CD2-CG1 3.8Å; L21-I23 HydrophobicContact CG-CG1 4.41Å
22T79.1Confident77.1Confident129 Ų129122 Ų12279%0.79162%0.616SS**  trans-100.1114.6176.2-49.30000110.3
23I76Confident77.3Confident86 Ų86120.8 Ų120.844%0.44161%0.606SS.*  trans-107.7120.9175.6-55.1175.5000108.9L21 V25 L32L21-I23 HydrophobicContact CD2-CD1 3.87Å; L21-I23 HydrophobicContact CD2-CG1 3.8Å; L21-I23 HydrophobicContact CG-CG1 4.41Å; I23-V25 WeakPolarHBondContact O-CG2 3.43Å; I23-V25 PolarHBondContact O-N 2.81Å; I23-L32 HydrophobicContact CB-CD1 4.5Å; I23-L32 HydrophobicContact CG2-CD1 4.06Å
24A77.4Confident77.6Confident101 Ų101118.4 Ų118.484%0.83560%0.597SS**  trans-81.5115.9174.200000110.3
25V76Confident77.9Confident46 Ų46121.2 Ų121.228%0.27960%0.601SS.*  trans-109.4137.7-175.5-140.20000110.8I23 K27 Q29 L32 V70I23-V25 WeakPolarHBondContact O-CG2 3.43Å; I23-V25 PolarHBondContact O-N 2.81Å; V25-K27 PolarHBondContact O-N 2.67Å; V25-Q29 HydrophobicContact CG1-CB 3.9Å; V25-Q29 VanDerWaalsContact CG1-OE1 3.31Å; V25-L32 HydrophobicContact CB-CD1 4.35Å; V25-L32 HydrophobicContact CG1-CD1 3.77Å; V25-L32 HydrophobicContact CG1-CD2 3.67Å; V25-L32 HydrophobicContact CG1-CG 3.76Å; V25-L32 HydrophobicContact CG2-CD1 3.58Å; V25-L32 HydrophobicContact CG2-CG 4.42Å; V25-V70 HydrophobicContact CG2-CG2 4.23Å
26P76.8Confident78.5Confident81 Ų81114.9 Ų114.953%0.52657%0.574SS.*  trans-57.6136.2171.8-2433.6000111K28 Q29P26-K28 PolarHBondContact O-N 3.39Å; P26-Q29 PolarHBondContact O-N 3.02Å
27K73.8Confident78.9Confident214 Ų214114 Ų11493%0.9356%0.557SS**THydrogen-bonded Turntrans-52.9-19-177.6-71.9-172.5177.4-175.90115.8V25V25-K27 PolarHBondContact O-N 2.67Å
28K77.3Confident79.5Confident204 Ų204113.7 Ų113.789%0.88756%0.558SS**THydrogen-bonded Turntrans-83.4-13.8177.9-65.4-175.3179.3-178.80113.6P26P26-K28 PolarHBondContact O-N 3.39Å
29Q74.2Confident79.8Confident98 Ų98107.5 Ų107.546%0.45853%0.532SS..  trans-93.1116.5178.8-72.8-171.2-1600109.8V25 P26V25-Q29 HydrophobicContact CG1-CB 3.9Å; V25-Q29 VanDerWaalsContact CG1-OE1 3.31Å; P26-Q29 PolarHBondContact O-N 3.02Å
30E77.7Confident80.3Confident126 Ų126105.1 Ų105.159%0.58953%0.527SS*.  trans-88.5-16.3178-62.7-178.517000112.6V70E30-V70 PolarHBondContact O-N 2.75Å; E30-V70 VanDerWaalsContact O-N 3.08Å
31K78.9Confident80.2Confident107 Ų107100.3 Ų100.347%0.46551%0.505SS..EExtended strand (participates in β ladder)trans-142.4145.3-173.8-59.7-176-175.1172.40112.2W67 L68 K69K31-W67 HydrophobicContact CB-CE3 3.96Å; K31-W67 HydrophobicContact CB-CZ3 4.11Å; K31-W67 HydrophobicContact CD-CE3 4.39Å; K31-L68 CarbonylContact C-O 3.5Å; K31-L68 VanDerWaalsContact CA-O 3.23Å; K31-L68 WeakPolarHBondContact CA-O 3.38Å; K31-K69 HydrophobicContact CG-CG 4.24Å
32L81.5Confident79.8Confident36 Ų3699.8 Ų99.819%0.18850%0.502CS..EExtended strand (participates in β ladder)trans-123.1142.9172-74.1170.4000110.6I23 V25 W67 L68I23-L32 HydrophobicContact CB-CD1 4.5Å; I23-L32 HydrophobicContact CG2-CD1 4.06Å; V25-L32 HydrophobicContact CB-CD1 4.35Å; V25-L32 HydrophobicContact CG1-CD1 3.77Å; V25-L32 HydrophobicContact CG1-CD2 3.67Å; V25-L32 HydrophobicContact CG1-CG 3.76Å; V25-L32 HydrophobicContact CG2-CD1 3.58Å; V25-L32 HydrophobicContact CG2-CG 4.42Å; L32-W67 CarbonylContact O-C 3.38Å; L32-W67 WeakPolarHBondContact O-CA 3.33Å; L32-L68 HydrophobicContact CB-CB 4.21Å; L32-L68 PolarHBondContact N-O 3.35Å; L32-L68 PolarHBondContact O-N 2.88Å
33Q84.7Confident78.9Confident104 Ų10499.6 Ų99.649%0.48650%0.501SS..EExtended strand (participates in β ladder)trans-94.5134.1168.6-67.9178.5-5500109Y35 P65 L66 W67Q33-Y35 HydrophobicContact CB-CE2 4.45Å; Q33-P65 HydrophobicContact CB-CB 4.06Å; Q33-P65 HydrophobicContact CB-CG 4.43Å; Q33-P65 HydrophobicContact CG-CB 4.48Å; Q33-P65 HydrophobicContact CG-CG 4.35Å; Q33-L66 CarbonylContact C-O 3.58Å; Q33-W67 VanDerWaalsContact CD-CH2 3.45Å; Q33-W67 HydrophobicContact CG-CD2 3.93Å; Q33-W67 HydrophobicContact CG-CE3 3.66Å; Q33-W67 HydrophobicContact CG-CH2 3.3Å; Q33-W67 HydrophobicContact CG-CZ2 3.55Å; Q33-W67 HydrophobicContact CG-CZ3 3.34Å; Q33-W67 VanDerWaalsContact NE2-CH2 3.29Å
34M86.6Confident77.8Confident60 Ų60104.1 Ų104.130%0.29652%0.521SS..EExtended strand (participates in β ladder)trans-129.1123.4-179.4-174.3-178.660.200109.2L36 P65 L66 L68M34-L36 HydrophobicContact CE-CD1 3.48Å; M34-L36 VanDerWaalsContact CE-CD1 3.48Å; M34-L36 HydrophobicContact CG-CD1 3.52Å; M34-L36 HydrophobicContact SD-CD1 3.71Å; M34-P65 CarbonylContact O-C 3.45Å; M34-P65 WeakPolarHBondContact O-CA 3.49Å; M34-L66 HydrophobicContact CB-CB 4.38Å; M34-L66 HydrophobicContact CE-CB 3.9Å; M34-L66 HydrophobicContact CE-CD1 3.85Å; M34-L66 PolarHBondContact N-O 3.49Å; M34-L66 PolarHBondContact O-N 2.94Å; M34-L68 HydrophobicContact CB-CD1 4.35Å; M34-L68 HydrophobicContact CE-CD2 4.19Å; M34-L68 HydrophobicContact SD-CD1 4.1Å
35Y88.5Confident76Confident127 Ų127106.8 Ų106.850%0.49851%0.513SS..  trans-100.9134.9175.1-66.5-93.3000109Q33 P65Q33-Y35 HydrophobicContact CB-CE2 4.45Å; Y35-P65 HydrophobicContact CD1-CB 4.1Å; Y35-P65 HydrophobicContact CD2-CB 4.19Å; Y35-P65 HydrophobicContact CE1-CB 3.77Å; Y35-P65 HydrophobicContact CE1-CG 4.07Å; Y35-P65 HydrophobicContact CE2-CB 3.85Å; Y35-P65 HydrophobicContact CE2-CG 4.4Å; Y35-P65 HydrophobicContact CG-CB 4.31Å
36L87.1Confident74.2Confident71 Ų71109.5 Ų109.537%0.37253%0.526SS..  trans-123.5132.6179.5-91.669.6000109.2M34 L60 L62 L66M34-L36 HydrophobicContact CE-CD1 3.48Å; M34-L36 VanDerWaalsContact CE-CD1 3.48Å; M34-L36 HydrophobicContact CG-CD1 3.52Å; M34-L36 HydrophobicContact SD-CD1 3.71Å; L36-L60 HydrophobicContact CB-CD1 4.2Å; L36-L62 HydrophobicContact CB-CD1 4.23Å; L36-L66 HydrophobicContact CD1-CD1 3.98Å; L36-L66 HydrophobicContact CD2-CD1 4.17Å
37E85.7Confident72.4Confident88 Ų88115.4 Ų115.441%0.41155%0.547SS..  trans-127.3138.3172.9-175.3179.212900107.3W7 N39 D58W7-E37 HydrophobicContact CH2-CB 4Å; W7-E37 HydrophobicContact CZ3-CB 3.78Å; E37-N39 PolarHBondContact OE1-ND2 3.05Å; E37-N39 PolarHBondContact OE1-OD1 3.12Å; E37-D58 HydrophobicContact CG-CB 3.66Å
38L86.2Confident70.6Confident87 Ų87113.5 Ų113.546%0.45554%0.539SS..  trans-124.2123.3172.9-174.760000108.9D58 I59 L60L38-D58 CarbonylContact O-C 3.53Å; L38-D58 VanDerWaalsContact O-CA 3.26Å; L38-D58 WeakPolarHBondContact O-CA 3.39Å; L38-I59 HydrophobicContact CB-CD1 4.47Å; L38-I59 HydrophobicContact CB-CG1 3.83Å; L38-I59 HydrophobicContact CD2-CD1 3.59Å; L38-I59 HydrophobicContact CD2-CG1 3.85Å; L38-I59 HydrophobicContact CG-CD1 3.88Å; L38-I59 HydrophobicContact CG-CG1 3.76Å; L38-I59 VanDerWaalsContact O-CG1 3.3Å; L38-I59 WeakPolarHBondContact O-CG1 3.14Å; L38-I59 PolarHBondContact O-N 3.37Å; L38-L60 HydrophobicContact CB-CD1 3.69Å; L38-L60 HydrophobicContact CB-CD2 4.46Å; L38-L60 HydrophobicContact CB-CG 3.61Å; L38-L60 HydrophobicContact CD2-CD2 4.39Å; L38-L60 HydrophobicContact CD2-CG 4.41Å
39N83.2Confident68.5Low61 Ų61112.1 Ų112.133%0.32654%0.535SS..  trans-103.7136177.3-67.9-41.4000109.3F13 E37 T57 D58F13-N39 HydrophobicContact CE1-CB 4.09Å; F13-N39 WeakPolarHBondContact CE1-O 3.15Å; F13-N39 HydrophobicContact CZ-CB 4.4Å; E37-N39 PolarHBondContact OE1-ND2 3.05Å; E37-N39 PolarHBondContact OE1-OD1 3.12Å; N39-T57 WeakPolarHBondContact OD1-CA 3.42Å; N39-D58 PolarHBondContact OD1-N 3.29Å
40E80.6Confident66.4Low108 Ų108116.4 Ų116.451%0.50556%0.555SS.*EExtended strand (participates in β ladder)trans-106.8138.1176.4-173-179.8-114.100110.6A55 D56 I59E40-A55 WeakPolarHBondContact O-CA 3.35Å; E40-D56 PolarHBondContact N-O 3.31Å; E40-D56 PolarHBondContact O-N 3Å; E40-I59 HydrophobicContact CB-CD1 4.31Å; E40-I59 HydrophobicContact CB-CG2 3.9Å
41Q76.4Confident64.2Low82 Ų82115.3 Ų115.338%0.38357%0.567SS.*EExtended strand (participates in β ladder)trans-120.5115.7170.9-174.2177.541.300110.2F13 A53F13-Q41 HydrophobicContact CD1-CB 3.67Å; F13-Q41 HydrophobicContact CD2-CB 4.15Å; F13-Q41 VanDerWaalsContact CD2-OE1 3.32Å; F13-Q41 HydrophobicContact CE1-CB 3.63Å; F13-Q41 HydrophobicContact CE2-CB 4.13Å; F13-Q41 HydrophobicContact CG-CB 3.93Å; F13-Q41 HydrophobicContact CZ-CB 3.88Å; Q41-A53 HydrophobicContact CG-CB 4.36Å
42N67.4Low62.2Low79 Ų79113.3 Ų113.342%0.42258%0.577SS.*  trans-82118.1176.6-168.5-26.4000110.8E44N42-E44 PolarHBondContact OD1-N 3.39Å
43T61.3Low60.3Low126 Ų126114.3 Ų114.377%0.77359%0.591SS**SBendtrans-92.7-6.9-179.846.20000114.3
44E52.3Low58.1Low181 Ų181118.1 Ų118.185%0.84661%0.609SS**SBendtrans-88.7-9.5-178.7-68.6-165.1162.900114.1N42N42-E44 PolarHBondContact OD1-N 3.39Å
45K40.4Very low56.4Low157 Ų157117.4 Ų117.468%0.68361%0.613SS**SBendtrans-90.4110.3170.4-75.5-177.5179.2174.80110.4
46N37.3Very low54.7Low103 Ų103116.5 Ų116.555%0.55162%0.616SS**  trans107.873.6161.2-56-11.1000117K48 E49N46-K48 WeakPolarHBondContact CB-O 3.2Å; N46-K48 PolarHBondContact OD1-O 3.26Å; N46-E49 PolarHBondContact ND2-O 2.85Å
47Q39.1Very low53.8Low205 Ų205118.4 Ų118.496%0.95863%0.631SS**SBendtrans-78.21.7140.8-78.4-167.510.100113
48K36.2Very low53.4Low174 Ų174116.3 Ų116.376%0.75762%0.623SS**SBendtrans-141.8129171.9-68.7-176.7-179.7175.10108.2N46N46-K48 WeakPolarHBondContact CB-O 3.2Å; N46-K48 PolarHBondContact OD1-O 3.26Å
49E33.1Very low53Low175 Ų175115.9 Ų115.982%0.81862%0.62SS**SBendtrans88.6124.7174.1-56.2-177.9177.800116.5N46N46-E49 PolarHBondContact ND2-O 2.85Å
50Q30.3Very low52.9Low188 Ų188116.4 Ų116.488%0.87962%0.622SS**  trans-66153.3-174.2-75.6166.7-61.500112.8
51A32.8Very low52.7Low102 Ų102117.9 Ų117.984%0.84363%0.629SS**SBendtrans70.9104.7151.600000117.4
52G36.2Very low52.8Low65 Ų65117.9 Ų117.967%0.6763%0.631SS**  trans101.381.7162.800000112.8E54G52-E54 PolarHBondContact O-N 3.26Å
53A40.7Very low53.3Low58 Ų58119.1 Ų119.148%0.47965%0.646SS.*  trans-59.2108.3156.400000106.5Q41 A55Q41-A53 HydrophobicContact CG-CB 4.36Å; A53-A55 PolarHBondContact O-N 3.05Å
54E39.6Very low54Low183 Ų183119 Ų11986%0.85564%0.641SS**  trans-61104.9169.1-76.2177.3161.100106.7G52G52-E54 PolarHBondContact O-N 3.26Å
55A49.3Very low55.6Low46 Ų46111.5 Ų111.538%0.3861%0.608SS.*EExtended strand (participates in β ladder)trans-76.8130.8166.700000107.2E40 A53 T57E40-A55 WeakPolarHBondContact O-CA 3.35Å; A53-A55 PolarHBondContact O-N 3.05Å; A55-T57 PolarHBondContact O-N 2.7Å
56D53.2Low57.6Low107 Ų107108 Ų10857%0.57260%0.596SS**EExtended strand (participates in β ladder)trans-77122.9170-136.1-11.8000107.2E40 I59E40-D56 PolarHBondContact N-O 3.31Å; E40-D56 PolarHBondContact O-N 3Å; D56-I59 HydrophobicContact CB-CG2 4.21Å
57T68.8Low59.9Low112 Ų112108.7 Ų108.769%0.68759%0.591SS**SBendtrans-86.2118-178.8510000109.5N39 A55N39-T57 WeakPolarHBondContact OD1-CA 3.42Å; A55-T57 PolarHBondContact O-N 2.7Å
58D77.8Confident61.8Low44 Ų44102.3 Ų102.324%0.23556%0.563CS.*  trans60.580.4179.4-16718.2000116.6E37 L38 N39 L60 E61E37-D58 HydrophobicContact CG-CB 3.66Å; L38-D58 CarbonylContact O-C 3.53Å; L38-D58 VanDerWaalsContact O-CA 3.26Å; L38-D58 WeakPolarHBondContact O-CA 3.39Å; N39-D58 PolarHBondContact OD1-N 3.29Å; D58-L60 PolarHBondContact O-N 2.77Å; D58-L60 PolarHBondContact OD1-N 3.09Å; D58-E61 PolarHBondContact OD1-N 3.41Å
59I78.3Confident63.8Low77 Ų77100 Ų10040%0.39555%0.553SS.*THydrogen-bonded Turntrans-72.9-10.4173.464.1160000114L38 E40 D56L38-I59 HydrophobicContact CB-CD1 4.47Å; L38-I59 HydrophobicContact CB-CG1 3.83Å; L38-I59 HydrophobicContact CD2-CD1 3.59Å; L38-I59 HydrophobicContact CD2-CG1 3.85Å; L38-I59 HydrophobicContact CG-CD1 3.88Å; L38-I59 HydrophobicContact CG-CG1 3.76Å; L38-I59 VanDerWaalsContact O-CG1 3.3Å; L38-I59 WeakPolarHBondContact O-CG1 3.14Å; L38-I59 PolarHBondContact O-N 3.37Å; E40-I59 HydrophobicContact CB-CD1 4.31Å; E40-I59 HydrophobicContact CB-CG2 3.9Å; D56-I59 HydrophobicContact CB-CG2 4.21Å
60L79.6Confident65.8Low72 Ų7295.2 Ų95.238%0.37754%0.536SS..THydrogen-bonded Turntrans-82.1-26.3177.4-70.7174.5000112.1L36 L38 D58 L62L36-L60 HydrophobicContact CB-CD1 4.2Å; L38-L60 HydrophobicContact CB-CD1 3.69Å; L38-L60 HydrophobicContact CB-CD2 4.46Å; L38-L60 HydrophobicContact CB-CG 3.61Å; L38-L60 HydrophobicContact CD2-CD2 4.39Å; L38-L60 HydrophobicContact CD2-CG 4.41Å; D58-L60 PolarHBondContact O-N 2.77Å; D58-L60 PolarHBondContact OD1-N 3.09Å; L60-L62 HydrophobicContact CB-CD1 4.02Å; L60-L62 HydrophobicContact CB-CG 3.97Å; L60-L62 HydrophobicContact CD1-CD1 4.06Å; L60-L62 PolarHBondContact O-N 2.65Å
61E77.4Confident67.4Low140 Ų14095.2 Ų95.265%0.65454%0.536SS*.  trans48.639.3-175.8-58.3-177.5165.800112.8D58 S63 K499D58-E61 PolarHBondContact OD1-N 3.41Å; E61-S63 PolarHBondContact O-N 2.82Å; E61-K499 IonicContact OE2-NZ 3.32Å
62L78.1Confident68.4Low81 Ų8197.5 Ų97.542%0.42453%0.529SS..  trans-85.6103.2-178.4-74171.3000110.6L36 L60L36-L62 HydrophobicContact CB-CD1 4.23Å; L60-L62 HydrophobicContact CB-CD1 4.02Å; L60-L62 HydrophobicContact CB-CG 3.97Å; L60-L62 HydrophobicContact CD1-CD1 4.06Å; L60-L62 PolarHBondContact O-N 2.65Å
63S77.1Confident68.6Low105 Ų105103.6 Ų103.673%0.73454%0.54SS*.  trans-79.3-23.6175.263.70000114.1E61E61-S63 PolarHBondContact O-N 2.82Å
64D76.7Confident68.3Low123 Ų123105.3 Ų105.366%0.65855%0.554SS**SBendtrans-109.5141.1-174.2-69.5-17.3000111.5
65P86.3Confident67.8Low24 Ų24103.5 Ų103.516%0.15656%0.556CS.*PPolyproline II helixtrans-73.1149.2178.528.6-33.7000113Q33 M34 Y35Q33-P65 HydrophobicContact CB-CB 4.06Å; Q33-P65 HydrophobicContact CB-CG 4.43Å; Q33-P65 HydrophobicContact CG-CB 4.48Å; Q33-P65 HydrophobicContact CG-CG 4.35Å; M34-P65 CarbonylContact O-C 3.45Å; M34-P65 WeakPolarHBondContact O-CA 3.49Å; Y35-P65 HydrophobicContact CD1-CB 4.1Å; Y35-P65 HydrophobicContact CD2-CB 4.19Å; Y35-P65 HydrophobicContact CE1-CB 3.77Å; Y35-P65 HydrophobicContact CE1-CG 4.07Å; Y35-P65 HydrophobicContact CE2-CB 3.85Å; Y35-P65 HydrophobicContact CE2-CG 4.4Å; Y35-P65 HydrophobicContact CG-CB 4.31Å
66L82.8Confident66.7Low83 Ų83111 Ų11144%0.43558%0.58SS.*EExtended strand (participates in β ladder)trans-78134.6166.3-72.5161.7000110.1Q33 M34 L36Q33-L66 CarbonylContact C-O 3.58Å; M34-L66 HydrophobicContact CB-CB 4.38Å; M34-L66 HydrophobicContact CE-CB 3.9Å; M34-L66 HydrophobicContact CE-CD1 3.85Å; M34-L66 PolarHBondContact N-O 3.49Å; M34-L66 PolarHBondContact O-N 2.94Å; L36-L66 HydrophobicContact CD1-CD1 3.98Å; L36-L66 HydrophobicContact CD2-CD1 4.17Å
67W84.7Confident65.4Low118 Ų118115.6 Ų115.645%0.44760%0.595SS.*EExtended strand (participates in β ladder)trans-102.3116-178.9-73.188000111.6K31 L32 Q33K31-W67 HydrophobicContact CB-CE3 3.96Å; K31-W67 HydrophobicContact CB-CZ3 4.11Å; K31-W67 HydrophobicContact CD-CE3 4.39Å; L32-W67 CarbonylContact O-C 3.38Å; L32-W67 WeakPolarHBondContact O-CA 3.33Å; Q33-W67 VanDerWaalsContact CD-CH2 3.45Å; Q33-W67 HydrophobicContact CG-CD2 3.93Å; Q33-W67 HydrophobicContact CG-CE3 3.66Å; Q33-W67 HydrophobicContact CG-CH2 3.3Å; Q33-W67 HydrophobicContact CG-CZ2 3.55Å; Q33-W67 HydrophobicContact CG-CZ3 3.34Å; Q33-W67 VanDerWaalsContact NE2-CH2 3.29Å
68L79.7Confident63.2Low71 Ų71114.7 Ų114.737%0.37260%0.599SS.*EExtended strand (participates in β ladder)trans-91.7132.8173.7-54171.6000109.4K31 L32 M34K31-L68 CarbonylContact C-O 3.5Å; K31-L68 VanDerWaalsContact CA-O 3.23Å; K31-L68 WeakPolarHBondContact CA-O 3.38Å; L32-L68 HydrophobicContact CB-CB 4.21Å; L32-L68 PolarHBondContact N-O 3.35Å; L32-L68 PolarHBondContact O-N 2.88Å; M34-L68 HydrophobicContact CB-CD1 4.35Å; M34-L68 HydrophobicContact CE-CD2 4.19Å; M34-L68 HydrophobicContact SD-CD1 4.1Å
69K78.3Confident60.8Low127 Ų127119.2 Ų119.255%0.55263%0.628SS**EExtended strand (participates in β ladder)trans-106.9133.6175-71.7179.5-177.8173.40109.6K31 E71K31-K69 HydrophobicContact CG-CG 4.24Å; K69-E71 PolarHBondContact O-N 2.96Å
70V74Confident58Low74 Ų74124.6 Ų124.645%0.44865%0.649SS.*  trans-85110.1175.1-175.60000108.3V25 E30 Q72V25-V70 HydrophobicContact CG2-CG2 4.23Å; E30-V70 PolarHBondContact O-N 2.75Å; E30-V70 VanDerWaalsContact O-N 3.08Å; V70-Q72 PolarHBondContact O-N 2.96Å
71E63Low55.2Low187 Ų187129.9 Ų129.987%0.87467%0.668SS**PPolyproline II helixtrans-66.8123.7174.7-71.2-170164.200110.2K69K69-E71 PolarHBondContact O-N 2.96Å
72Q53.8Low52.7Low151 Ų151130.5 Ų130.571%0.70668%0.675SS**PPolyproline II helixtrans-83.1118.4171.1-65.9-173.810.800108.7V70 A74V70-Q72 PolarHBondContact O-N 2.96Å; Q72-A74 PolarHBondContact O-N 3.15Å; Q72-A74 VanDerWaalsContact O-N 3.09Å
73E40.4Very low50Low193 Ų193132.3 Ų132.390%0.90269%0.69SS**PPolyproline II helixtrans-54.5116.5174.6-78.1-171.414800110.7T75E73-T75 PolarHBondContact O-N 3.16Å; E73-T75 VanDerWaalsContact O-N 3.14Å
74A35Very low47.3Very low93 Ų93132.3 Ų132.377%0.76969%0.685SS**  trans-63.7112.4178.200000110.9Q72 K76Q72-A74 PolarHBondContact O-N 3.15Å; Q72-A74 VanDerWaalsContact O-N 3.09Å; A74-K76 PolarHBondContact O-N 3.42Å
75T30.1Very low44.7Very low146 Ų146134.2 Ų134.290%0.89669%0.69SS**  trans-60.2106.8172.933.10000111.5E73E73-T75 PolarHBondContact O-N 3.16Å; E73-T75 VanDerWaalsContact O-N 3.14Å
76K25Very low41.5Very low202 Ų202139.8 Ų139.888%0.87872%0.719SS**  trans-72.4122.9167.5-69.4175.2177.6172.40111.1A74A74-K76 PolarHBondContact O-N 3.42Å
77K26.8Very low38.7Very low204 Ų204141.7 Ų141.789%0.88774%0.739SS**  trans-175100.5154.2-105.6171-177.2-179.20108.1
78A23.2Very low35.7Very low94 Ų94145.6 Ų145.678%0.77776%0.762SS**  65.7101.374.100000115.4
79T25.5Very low32.9Very low139 Ų139145.8 Ų145.885%0.85378%0.781SS**  trans-160.6105.6141.8-270000107
80K20.4Very low30.2Very low189 Ų189146.5 Ų146.582%0.82279%0.791SS**  62.2111.272.1-98-176.2-179.1175.80117
81K20.9Very low27.7Very low183 Ų183150.6 Ų150.680%0.79681%0.805SS**  trans67.7128142.2-83.8-175.8168.7-173.30121
82L25.6Very low25.8Very low153 Ų153147.7 Ų147.780%0.80180%0.801SS**  -176.6126.4101.2-105.7103.8000108.2
83V21.2Very low24.3Very low119 Ų119147.3 Ų147.372%0.72181%0.809SS**  68.4132.984.5169.10000111.2
84T19.3Very low23.5Very low105 Ų105147.1 Ų147.164%0.64481%0.808SS**  cis-172.5168.4-13.4-43.90000105.1
85E22.4Very low23Very low164 Ų164146.3 Ų146.377%0.76680%0.802SS**  trans88.2112.7149.7-84164.2-154.400121.4
86D19.5Very low22.8Very low141 Ų141148.4 Ų148.475%0.75480%0.801SS**  trans54.5111.9131.5-62.7-9.6000121.1
87S24.7Very low22.8Very low122 Ų122142.1 Ų142.185%0.85379%0.794SS**  169.3144.799.3-71.50000112.5
88E20.6Very low22.6Very low200 Ų200138 Ų13894%0.93579%0.791SS**  trans-33.6141.4172.3-59172154.600117.2
89G21.5Very low22.6Very low75 Ų75140.7 Ų140.777%0.77379%0.785SS**  trans15980.4160.900000116.5
90N21.8Very low22.8Very low142 Ų142137.3 Ų137.376%0.75977%0.767SS**  trans53.7123.9144.1-109.9-4000121.6
91Q21.9Very low23.4Very low160 Ų160129.4 Ų129.475%0.74873%0.734SS**  trans51.891.8135.3-69.4-178.7-1.700118
92T21.4Very low24Very low127 Ų127122 Ų12278%0.77970%0.701SS**  172.1122.499.527.20000105.6E94T92-E94 VanDerWaalsContact C-N 3.34Å; T92-E94 PolarHBondContact O-N 2.8Å
93T22.4Very low24.2Very low143 Ų143120.3 Ų120.388%0.87770%0.702SS**  trans-58.4101.3171.3-1.90000107A95T93-A95 PolarHBondContact O-N 3.16Å
94E23.5Very low24.3Very low188 Ų188123.3 Ų123.388%0.87971%0.708SS**  trans-58.686.6152.9-74.6-175.216300105.4T92 E96T92-E94 VanDerWaalsContact C-N 3.34Å; T92-E94 PolarHBondContact O-N 2.8Å; E94-E96 PolarHBondContact O-N 3.41Å; E94-E96 VanDerWaalsContact O-N 3.12Å
95A25.9Very low24.7Very low77 Ų77126.8 Ų126.864%0.63672%0.717SS**  trans-53.4119.2163.800000105.8T93 G97T93-A95 PolarHBondContact O-N 3.16Å; A95-G97 PolarHBondContact O-N 3.07Å
96E26Very low24.8Very low189 Ų189126.2 Ų126.288%0.88372%0.72SS**  trans-35.9114.6167-64.3-177.3158.100108.3E94 S98E94-E96 PolarHBondContact O-N 3.41Å; E94-E96 VanDerWaalsContact O-N 3.12Å; E96-S98 PolarHBondContact O-N 2.81Å
97G23.7Very low24.9Very low70 Ų70124 Ų12472%0.72272%0.715SS**  trans-47.4111.3-161.500000112.1A95 F99A95-G97 PolarHBondContact O-N 3.07Å; G97-F99 PolarHBondContact O-N 2.84Å
98S23.3Very low24.9Very low118 Ų118128 Ų12883%0.82572%0.717SS**  trans-66.189.3166.550.20000107.8E96 S100E96-S98 PolarHBondContact O-N 2.81Å; S98-S100 PolarHBondContact O-N 2.85Å; S98-S100 VanDerWaalsContact O-N 3.12Å
99F23Very low25.1Very low150 Ų150123.9 Ų123.966%0.65871%0.71SS**  trans-73.8101.7179.7-158.5-65000108.6G97 T559G97-F99 PolarHBondContact O-N 2.84Å; F99-T559 HydrophobicContact CD1-CG2 3.59Å; F99-T559 HydrophobicContact CE1-CG2 2.93Å; F99-T559 HydrophobicContact CZ-CG2 3.64Å
100S29.5Very low25.1Very low69 Ų69130 Ų13048%0.48372%0.716SS.*  trans-78127.8174.2177.30000110.7S98 Y102S98-S100 PolarHBondContact O-N 2.85Å; S98-S100 VanDerWaalsContact O-N 3.12Å; S100-Y102 PolarHBondContact O-N 3.11Å; S100-Y102 PolarHBondContact OG-N 3.08Å; S100-Y102 PolarHBondContact OG-O 2.94Å
101L32.4Very low25.3Very low23 Ų23128.1 Ų128.112%0.1272%0.72CS.*SBendtrans-72.3-0.7174.7-88.4159.2000114.2N276 T559L101-N276 WeakPolarHBondContact CD1-O 3.44Å; L101-T559 HydrophobicContact CD2-CG2 3.69Å; L101-T559 WeakPolarHBondContact CD2-OG1 3.38Å; L101-T559 HydrophobicContact CG-CG2 4.42Å
102Y33.8Very low25.4Very low27 Ų27126.8 Ų126.811%0.10672%0.722CS.*SBendtrans-131.3129.1-167.9-60.1-93.8000112.4S100 S226 P278 Y282S100-Y102 PolarHBondContact O-N 3.11Å; S100-Y102 PolarHBondContact OG-N 3.08Å; S100-Y102 PolarHBondContact OG-O 2.94Å; Y102-S226 WeakPolarHBondContact CE1-OG 3.17Å; Y102-S226 VanDerWaalsContact OH-CB 3.28Å; Y102-S226 WeakPolarHBondContact OH-CB 3.34Å; Y102-S226 PolarHBondContact OH-OG 2.55Å; Y102-P278 HydrophobicContact CD2-CG 3.36Å; Y102-P278 HydrophobicContact CE2-CG 3.63Å; Y102-P278 HydrophobicContact CG-CG 4.17Å; Y102-Y282 AromaticContact CD1-CD2 3.98Å; Y102-Y282 HydrophobicContact CD1-CD2 3.98Å; Y102-Y282 AromaticContact CD1-CE2 3.59Å; Y102-Y282 HydrophobicContact CD1-CE2 3.59Å; Y102-Y282 AromaticContact CE1-CD2 3.74Å; Y102-Y282 HydrophobicContact CE1-CD2 3.74Å; Y102-Y282 AromaticContact CE1-CE2 3.78Å; Y102-Y282 HydrophobicContact CE1-CE2 3.78Å; Y102-Y282 HydrophobicContact CE1-CG 4.37Å; Y102-Y282 HydrophobicContact CG-CE2 4.18Å
103S29.8Very low25.4Very low118 Ų118128.3 Ų128.383%0.82573%0.725SS**  trans-81.6121.5170.158.90000110.7
104E25.1Very low25.6Very low181 Ų181129.5 Ų129.585%0.84673%0.726SS**  trans-73.2133.2173.3-60.7-173.7166.100111.5
105Q25.7Very low25.6Very low179 Ų179126 Ų12684%0.83672%0.719SS**  trans173.7124.3133.3-93.9168.211.600113.4
106N24.9Very low25.5Very low152 Ų152127.4 Ų127.481%0.81373%0.731SS**  trans49.1125.6145.7-77.2-6.7000126.2
107S22.8Very low25.6Very low93 Ų93125.5 Ų125.565%0.6573%0.726SS**  74.497127.6-540000123.9
108F24.2Very low25.7Very low208 Ų208126.3 Ų126.391%0.91273%0.726SS**  trans43.7120.9137.1-62.4-78.9000123.4
109S24.2Very low25.8Very low112 Ų112127 Ų12778%0.78372%0.72SS**  trans-143.2149.613557.20000111.1
110K22.5Very low26.3Very low204 Ų204122 Ų12289%0.88771%0.707SS**PPolyproline II helixtrans-71.7144.7-166.8-91.4176.2171.8177.60113.5
111A24.6Very low26.4Very low102 Ų102128.4 Ų128.484%0.84372%0.72SS**PPolyproline II helixtrans-62139.4174.400000112.6
112V24Very low26.6Very low132 Ų132130.6 Ų130.680%0.873%0.732SS**PPolyproline II helixtrans-95.2129.4171.41780000108.3L114V112-L114 PolarHBondContact O-N 2.87Å
113D22.1Very low26.7Very low159 Ų159132.5 Ų132.585%0.8574%0.744SS**PPolyproline II helixtrans-66.9123.3176.1-73.2-43.5000111.1
114L26.2Very low27.1Very low168 Ų168129.2 Ų129.288%0.8872%0.724SS**PPolyproline II helixtrans-97.1129.2173.6-84.7154.8000110.5V112V112-L114 PolarHBondContact O-N 2.87Å
115P23.8Very low28.2Very low115 Ų115124.7 Ų124.775%0.74770%0.699SS**PPolyproline II helixtrans-77.4148.5179.628.6-32000113.3L117P115-L117 PolarHBondContact O-N 2.84Å; P115-L117 VanDerWaalsContact O-N 3.14Å
116A24.5Very low29.3Very low107 Ų107119.7 Ų119.788%0.88468%0.681SS**  trans-59107.4-175.500000112.8
117L26.5Very low30.6Very low148 Ų148117.1 Ų117.178%0.77567%0.667SS**  trans-89.2109.3-179.7-163.766.8000110.8P115 N119P115-L117 PolarHBondContact O-N 2.84Å; P115-L117 VanDerWaalsContact O-N 3.14Å; L117-N119 PolarHBondContact O-N 3.17Å; L117-N119 VanDerWaalsContact O-N 3.16Å
118A26.2Very low32.8Very low87 Ų87116.3 Ų116.372%0.71966%0.661SS**  trans-7495.5176.300000111.1
119N26.5Very low35.5Very low133 Ų133107.4 Ų107.471%0.71162%0.622SS**  trans-179.799.3144.6-90.6-29.1000109.5L117 R121 N122L117-N119 PolarHBondContact O-N 3.17Å; L117-N119 VanDerWaalsContact O-N 3.16Å; N119-R121 VanDerWaalsContact C-N 3.27Å; N119-R121 PolarHBondContact O-N 3.37Å; N119-R121 VanDerWaalsContact O-N 3.12Å; N119-N122 PolarHBondContact O-N 2.83Å
120A33.3Very low38.4Very low45 Ų45106.8 Ų106.837%0.37261%0.613SS.*THydrogen-bonded Turntrans-71.7-3-164.200000116.6N122 D454A120-N122 PolarHBondContact O-N 3.32Å; A120-D454 HydrophobicContact CB-CB 3.89Å
121R32.3Very low41.7Very low203 Ų20399.8 Ų99.877%0.76659%0.586SS**THydrogen-bonded Turntrans-70-13.1171.8-77.2-171.2175.7-175-1.4113.5N119N119-R121 VanDerWaalsContact C-N 3.27Å; N119-R121 PolarHBondContact O-N 3.37Å; N119-R121 VanDerWaalsContact O-N 3.12Å
122N36.1Very low44.9Very low69 Ų6995.3 Ų95.337%0.36955%0.547SS..  trans-131.713.2-157.1-67-16.8000116.7N119 A120 R125 T126N119-N122 PolarHBondContact O-N 2.83Å; A120-N122 PolarHBondContact O-N 3.32Å; N122-R125 HydrophobicContact CB-CB 4.13Å; N122-R125 CarbonylContact O-C 3.57Å; N122-R125 WeakPolarHBondContact O-CA 3.46Å; N122-R125 WeakPolarHBondContact O-CB 3.43Å; N122-R125 PolarHBondContact O-N 2.82Å; N122-R125 WeakPolarHBondContact OD1-CD 3.2Å; N122-T126 PolarHBondContact O-N 2.82Å
123L36.4Very low48.3Very low67 Ų6794.5 Ų94.535%0.35154%0.535SS..SBendtrans-70-32.8175.1-10283000113.2R125 T126L123-R125 PolarHBondContact O-N 2.84Å; L123-T126 PolarHBondContact O-N 2.9Å; L123-T126 PolarHBondContact O-OG1 3.33Å
124A37.1Very low51.8Low49 Ų4987.5 Ų87.541%0.40550%0.498SS..THydrogen-bonded Turntrans-68.8-17.6168.300000112.5T488A124-T488 HydrophobicContact CB-CG2 4.47Å
125R48.4Very low55.2Low86 Ų8681.8 Ų81.833%0.32547%0.472SS..THydrogen-bonded Turntrans-96.910.9-180-59.5173.5108.2-113.5-6.5112.9N122 L123 N127 E628N122-R125 HydrophobicContact CB-CB 4.13Å; N122-R125 CarbonylContact O-C 3.57Å; N122-R125 WeakPolarHBondContact O-CA 3.46Å; N122-R125 WeakPolarHBondContact O-CB 3.43Å; N122-R125 PolarHBondContact O-N 2.82Å; N122-R125 WeakPolarHBondContact OD1-CD 3.2Å; L123-R125 PolarHBondContact O-N 2.84Å; R125-N127 PolarHBondContact O-N 2.87Å; R125-E628 IonicContact CZ-OE1 2.69Å; R125-E628 IonicContact NH1-OE1 4Å; R125-E628 PolarHBondContact NH1-OE1 2.85Å; R125-E628 IonicContact NH2-OE1 3.96Å; R125-E628 PolarHBondContact NH2-OE1 3.48Å
126T48.9Very low58.7Low74 Ų7479.3 Ų79.345%0.45445%0.448SS..SBendtrans-70.2131175.153.70000109.7N122 L123 S128N122-T126 PolarHBondContact O-N 2.82Å; L123-T126 PolarHBondContact O-N 2.9Å; L123-T126 PolarHBondContact O-OG1 3.33Å; T126-S128 PolarHBondContact O-N 3.38Å; T126-S128 VanDerWaalsContact O-N 3.1Å
127N52.8Low62.2Low98 Ų9878.2 Ų78.252%0.52442%0.424SS..  trans-49.7119.7167.4-76.62.2000109.1R125 D629R125-N127 PolarHBondContact O-N 2.87Å; N127-D629 WeakPolarHBondContact CA-OD1 3.29Å; N127-D629 WeakPolarHBondContact CB-OD1 3.19Å; N127-D629 VanDerWaalsContact CG-OD1 3.3Å
128S68.6Low65.6Low76 Ų7676.8 Ų76.853%0.53142%0.421SS..SBendtrans-77.7-16.6178.8-63.40000111.3T126 D629T126-S128 PolarHBondContact O-N 3.38Å; T126-S128 VanDerWaalsContact O-N 3.1Å; S128-D629 PolarHBondContact N-OD1 3.03Å; S128-D629 VanDerWaalsContact N-OD1 3.14Å; S128-D629 PolarHBondContact N-OD2 3.04Å
129Y80.4Confident68.9Low21 Ų2177.6 Ų77.68%0.08241%0.413CS..SBendtrans-129.3148-173.1-58.1-68.9000111.5D200 I201 D629 L631Y129-D200 HydrophobicContact CE1-CB 3.82Å; Y129-D200 WeakPolarHBondContact CE1-OD2 3.46Å; Y129-D200 WeakPolarHBondContact OH-CB 3.26Å; Y129-D200 PolarHBondContact OH-OD2 2.98Å; Y129-I201 HydrophobicContact CD2-CD1 4.37Å; Y129-I201 HydrophobicContact CE2-CD1 3.68Å; Y129-D629 HydrophobicContact CD2-CB 4.42Å; Y129-D629 PolarHBondContact N-OD1 3.37Å; Y129-L631 HydrophobicContact CD2-CD1 4.23Å; Y129-L631 HydrophobicContact CD2-CD2 4.34Å; Y129-L631 HydrophobicContact CG-CD2 4.28Å
130T85.3Confident72.1Confident99 Ų9975.5 Ų75.561%0.60740%0.402SS*.  trans-85.3119.1165.6-58.50000107.7K132 D164T130-K132 PolarHBondContact O-N 3.31Å; T130-D164 VanDerWaalsContact O-CB 3.28Å; T130-D164 WeakPolarHBondContact O-CB 3.29Å
131N91.6Very high75.1Confident57 Ų5774.4 Ų74.431%0.30540%0.395SS..  trans-65.1133.2176.6-177.945.8000111Y191 K630 D632N131-Y191 PolarHBondContact OD1-OH 3.21Å; N131-K630 VanDerWaalsContact CG-O 3.31Å; N131-K630 PolarHBondContact OD1-O 2.83Å; N131-D632 PolarHBondContact ND2-OD2 3.01Å; N131-D632 PolarHBondContact OD1-N 3.38Å
132K92.6Very high78.3Confident8 Ų869.4 Ų69.44%0.03538%0.379CS..  trans-104.887.8178.1-166.6-169.2-176.2680109.3T130 P134 K163 D164 T166 A167 V170 W171 I189 Y191T130-K132 PolarHBondContact O-N 3.31Å; K132-P134 VanDerWaalsContact O-CD 3.29Å; K132-P134 WeakPolarHBondContact O-CD 3.36Å; K132-K163 VanDerWaalsContact CD-O 3.3Å; K132-K163 WeakPolarHBondContact CD-O 3.36Å; K132-K163 WeakPolarHBondContact CE-O 3.48Å; K132-K163 PolarHBondContact NZ-O 2.86Å; K132-D164 HydrophobicContact CB-CB 4.46Å; K132-T166 PolarHBondContact NZ-OG1 2.9Å; K132-A167 PolarHBondContact NZ-O 2.9Å; K132-V170 WeakPolarHBondContact CE-O 3.49Å; K132-V170 PolarHBondContact NZ-O 2.79Å; K132-W171 HydrophobicContact CD-CE3 4.13Å; K132-W171 HydrophobicContact CD-CH2 3.64Å; K132-W171 HydrophobicContact CD-CZ2 4.36Å; K132-W171 HydrophobicContact CD-CZ3 3.49Å; K132-W171 VanDerWaalsContact CD-CZ3 3.49Å; K132-W171 VanDerWaalsContact CE-CE3 3.48Å; K132-W171 HydrophobicContact CG-CH2 3.75Å; K132-W171 HydrophobicContact CG-CZ2 4.37Å; K132-W171 HydrophobicContact CG-CZ3 4.13Å; K132-I189 HydrophobicContact CB-CG2 4.2Å; K132-I189 HydrophobicContact CD-CG2 4.03Å; K132-Y191 HydrophobicContact CB-CE1 4.11Å
133E94.5Very high81.3Confident115 Ų11567 Ų6754%0.53737%0.365SS..PPolyproline II helixtrans-70.9122.5-173.6-170.5159.7-144.300112.5K617E133-K617 IonicContact OE1-NZ 2.85Å; E133-K617 PolarHBondContact OE1-NZ 3.37Å
134P96.9Very high84.2Confident13 Ų1363.9 Ų63.98%0.08435%0.349CS..PPolyproline II helixtrans-63.8139.2173.8-26.438000112.8K132 Y136 H159 I189 D632 F633K132-P134 VanDerWaalsContact O-CD 3.29Å; K132-P134 WeakPolarHBondContact O-CD 3.36Å; P134-Y136 HydrophobicContact CB-CE2 3.81Å; P134-H159 WeakPolarHBondContact CB-NE2 3.31Å; P134-I189 HydrophobicContact CG-CD1 4.46Å; P134-D632 HydrophobicContact CG-CB 4.32Å; P134-F633 WeakPolarHBondContact CG-O 3.35Å
135S97Very high87.1Confident47 Ų4765.7 Ų65.733%0.32935%0.349SS..PPolyproline II helixtrans-100.5141.5175.8-62.80000111.7Q145S135-Q145 WeakPolarHBondContact O-CB 3.34Å; S135-Q145 PolarHBondContact O-N 3.09Å
136Y97.8Very high89.5Confident63 Ų6364 Ų6425%0.24734%0.343CS..EExtended strand (participates in β ladder)trans-125.1145.2-179.9-61.5-98.6000110.3P134 Y143 P144 V635P134-Y136 HydrophobicContact CB-CE2 3.81Å; Y136-Y143 WeakPolarHBondContact CA-O 3.35Å; Y136-P144 HydrophobicContact CD1-CG 4.24Å; Y136-P144 HydrophobicContact CE1-CG 3.85Å; Y136-V635 HydrophobicContact CE1-CB 4.28Å; Y136-V635 WeakPolarHBondContact CE1-O 3.37Å; Y136-V635 WeakPolarHBondContact OH-CA 3.32Å; Y136-V635 WeakPolarHBondContact OH-CB 3.31Å; Y136-V635 PolarHBondContact OH-N 3.38Å
137K96.9Very high91.8Very high84 Ų8461.6 Ų61.637%0.36533%0.329SS..EExtended strand (participates in β ladder)trans-113.8156.317257171.9158.8147.20111K142 Y143 Q145K137-K142 WeakPolarHBondContact O-CA 3.32Å; K137-Y143 HydrophobicContact CD-CE2 4Å; K137-Y143 VanDerWaalsContact CE-CZ 3.47Å; K137-Y143 VanDerWaalsContact CE-OH 3.27Å; K137-Y143 WeakPolarHBondContact CE-OH 3.44Å; K137-Y143 HydrophobicContact CG-CD2 4.4Å; K137-Y143 HydrophobicContact CG-CE1 4.28Å; K137-Y143 HydrophobicContact CG-CE2 3.97Å; K137-Y143 PolarHBondContact N-O 3.07Å; K137-Y143 PolarHBondContact NZ-OH 3.2Å; K137-Y143 PolarHBondContact O-N 3.44Å; K137-Y143 VanDerWaalsContact O-N 3.11Å; K137-Q145 HydrophobicContact CG-CB 4.38Å
138T97.5Very high94Very high119 Ų11957 Ų5773%0.7330%0.304SS*.EExtended strand (participates in β ladder)trans-113.2108.2177.3-55.10000109.1G141T138-G141 CarbonylContact C-O 3.55Å; T138-G141 VanDerWaalsContact CA-O 3.23Å; T138-G141 WeakPolarHBondContact CA-O 3.44Å
139D95.1Very high95.4Very high103 Ų10356.7 Ų56.755%0.55129%0.294SS*.SBendtrans-154.6106.6178.8173.426.6000108.3G141 Y143D139-G141 VanDerWaalsContact C-N 3.31Å; D139-G141 CarbonylContact C-O 3.54Å; D139-G141 PolarHBondContact N-O 3.47Å; D139-G141 PolarHBondContact O-N 2.79Å; D139-Y143 HydrophobicContact CB-CE1 4.05Å; D139-Y143 WeakPolarHBondContact O-CE1 3.32Å; D139-Y143 PolarHBondContact OD2-OH 3.28Å
140N95Very high96.2Very high89 Ų8955.8 Ų55.848%0.47629%0.291SS..SBendtrans49.151.1-166.2-175.232.1000112.5G609 S610 W611N140-G609 PolarHBondContact ND2-O 3.35Å; N140-S610 CarbonylContact O-C 3.4Å; N140-S610 VanDerWaalsContact O-CA 3.27Å; N140-S610 WeakPolarHBondContact O-CA 3.04Å; N140-S610 PolarHBondContact OD1-OG 3.04Å; N140-W611 PolarHBondContact O-N 3.28Å
141G96.9Very high96.8Very high22 Ų2256 Ų5623%0.22729%0.287CS..BIsolated β-bridgetrans105.9-174.4-172.700000112.8T138 D139 W611T138-G141 CarbonylContact C-O 3.55Å; T138-G141 VanDerWaalsContact CA-O 3.23Å; T138-G141 WeakPolarHBondContact CA-O 3.44Å; D139-G141 VanDerWaalsContact C-N 3.31Å; D139-G141 CarbonylContact C-O 3.54Å; D139-G141 PolarHBondContact N-O 3.47Å; D139-G141 PolarHBondContact O-N 2.79Å; G141-W611 CarbonylContact C-O 3.45Å; G141-W611 WeakPolarHBondContact CA-O 2.96Å
142K98.3Very high97.1Very high99 Ų9957 Ų5743%0.4331%0.311SS..EExtended strand (participates in β ladder)trans-115.1128.2-174.1-176.8179178.6-177.90111.3K137 W611 P613 S637K137-K142 WeakPolarHBondContact O-CA 3.32Å; K142-W611 PolarHBondContact N-O 3.36Å; K142-P613 HydrophobicContact CB-CG 4.11Å; K142-P613 HydrophobicContact CD-CG 4.07Å; K142-P613 HydrophobicContact CG-CG 4.17Å; K142-S637 WeakPolarHBondContact O-CB 3.43Å; K142-S637 PolarHBondContact O-OG 3.37Å
143Y98.4Very high97.3Very high19 Ų1958.4 Ų58.48%0.07532%0.318CS..EExtended strand (participates in β ladder)trans-151.8161.3-179.162.2-83.4000112.9Y136 K137 D139 Q145 I157 W611 S637Y136-Y143 WeakPolarHBondContact CA-O 3.35Å; K137-Y143 HydrophobicContact CD-CE2 4Å; K137-Y143 VanDerWaalsContact CE-CZ 3.47Å; K137-Y143 VanDerWaalsContact CE-OH 3.27Å; K137-Y143 WeakPolarHBondContact CE-OH 3.44Å; K137-Y143 HydrophobicContact CG-CD2 4.4Å; K137-Y143 HydrophobicContact CG-CE1 4.28Å; K137-Y143 HydrophobicContact CG-CE2 3.97Å; K137-Y143 PolarHBondContact N-O 3.07Å; K137-Y143 PolarHBondContact NZ-OH 3.2Å; K137-Y143 PolarHBondContact O-N 3.44Å; K137-Y143 VanDerWaalsContact O-N 3.11Å; D139-Y143 HydrophobicContact CB-CE1 4.05Å; D139-Y143 WeakPolarHBondContact O-CE1 3.32Å; D139-Y143 PolarHBondContact OD2-OH 3.28Å; Y143-Q145 PolarHBondContact O-N 3.14Å; Y143-I157 HydrophobicContact CD2-CD1 3.87Å; Y143-I157 HydrophobicContact CD2-CG2 4.2Å; Y143-I157 HydrophobicContact CE2-CD1 4.31Å; Y143-I157 HydrophobicContact CG-CD1 4.19Å; Y143-W611 HydrophobicContact CD1-CB 4.09Å; Y143-W611 AromaticContact CD1-CD1 3.71Å; Y143-W611 AromaticContact CD1-CG 3.97Å; Y143-W611 HydrophobicContact CD1-CG 3.97Å; Y143-W611 HydrophobicContact CG-CG 4.4Å; Y143-S637 WeakPolarHBondContact CA-OG 3.19Å
144P98.3Very high97.4Very high0 Ų056.8 Ų56.80%032%0.316CS..EExtended strand (participates in β ladder)trans-47.6129.8174.4-35.540.9000113Y136 Y146 H159 V635Y136-P144 HydrophobicContact CD1-CG 4.24Å; Y136-P144 HydrophobicContact CE1-CG 3.85Å; P144-Y146 VanDerWaalsContact C-N 3.33Å; P144-H159 HydrophobicContact CB-CB 4.14Å; P144-H159 HydrophobicContact CG-CB 4.02Å; P144-V635 WeakPolarHBondContact CG-O 3.42Å
145Q97.8Very high97.5Very high88 Ų8857.5 Ų57.541%0.41132%0.319SS..SBendtrans-68.1-37.7174176.6171.3-25.900111.4S135 K137 Y143S135-Q145 WeakPolarHBondContact O-CB 3.34Å; S135-Q145 PolarHBondContact O-N 3.09Å; K137-Q145 HydrophobicContact CG-CB 4.38Å; Y143-Q145 PolarHBondContact O-N 3.14Å
146Y97.9Very high97.6Very high51 Ų5155.3 Ų55.320%0.230%0.303CS..SBendtrans-106.7101.8176.9-56.8-81.9000108.3P144 Q160 N169 W171P144-Y146 VanDerWaalsContact C-N 3.33Å; Y146-Q160 PolarHBondContact O-N 3.36Å; Y146-N169 WeakPolarHBondContact CE1-O 3.36Å; Y146-N169 WeakPolarHBondContact OH-CA 3.3Å; Y146-N169 VanDerWaalsContact OH-CB 3.24Å; Y146-N169 WeakPolarHBondContact OH-CB 3.42Å; Y146-W171 AromaticContact CD1-CD1 3.4Å; Y146-W171 VanDerWaalsContact CD1-CD1 3.4Å; Y146-W171 HydrophobicContact CD1-CG 4.25Å; Y146-W171 AromaticContact CD2-CD1 3.24Å; Y146-W171 AromaticContact CD2-CE2 3.93Å; Y146-W171 HydrophobicContact CD2-CG 4.18Å; Y146-W171 AromaticContact CD2-NE1 3.03Å; Y146-W171 AromaticContact CE1-CD1 3.76Å; Y146-W171 AromaticContact CE2-CD1 3.62Å; Y146-W171 AromaticContact CE2-NE1 3.27Å; Y146-W171 VanDerWaalsContact CE2-NE1 3.27Å; Y146-W171 HydrophobicContact CG-CB 4.48Å; Y146-W171 AromaticContact CG-CD1 3.1Å; Y146-W171 AromaticContact CG-CG 3.84Å; Y146-W171 HydrophobicContact CG-CG 3.84Å; Y146-W171 AromaticContact CG-NE1 3.48Å; Y146-W171 AromaticContact CZ-CD1 3.86Å; Y146-W171 AromaticContact CZ-NE1 3.9Å
147S98.2Very high97.6Very high23 Ų2353 Ų5316%0.16130%0.295CS..EExtended strand (participates in β ladder)trans-137.6161.8-160.567.20000114.7I157 N158 Q160 Q175S147-I157 VanDerWaalsContact CB-CG2 3.41Å; S147-N158 CarbonylContact C-O 3.58Å; S147-N158 WeakPolarHBondContact CA-O 3.29Å; S147-N158 WeakPolarHBondContact CB-O 3.43Å; S147-Q160 PolarHBondContact O-NE2 2.9Å; S147-Q175 PolarHBondContact O-OE1 3.04Å
148W98.4Very high97.7Very high2 Ų249 Ų491%0.00828%0.278CS..EExtended strand (participates in β ladder)trans-141.6160.4170.764.7-84.6000111P150 N158 H159 L174 Q175 W177 T179 S187 Y206W148-P150 HydrophobicContact CH2-CG 4.31Å; W148-P150 HydrophobicContact CZ3-CB 4.13Å; W148-P150 HydrophobicContact CZ3-CG 3.85Å; W148-N158 HydrophobicContact CD2-CB 3.81Å; W148-N158 HydrophobicContact CE3-CB 4.47Å; W148-N158 HydrophobicContact CG-CB 4.2Å; W148-N158 HydrophobicContact CH2-CB 4.12Å; W148-N158 WeakPolarHBondContact CH2-ND2 3.49Å; W148-N158 HydrophobicContact CZ2-CB 3.4Å; W148-N158 VanDerWaalsContact CZ2-CB 3.4Å; W148-N158 VanDerWaalsContact CZ2-ND2 3.33Å; W148-N158 WeakPolarHBondContact CZ2-ND2 3.12Å; W148-N158 PolarHBondContact N-O 3.23Å; W148-N158 VanDerWaalsContact NE1-CB 3.35Å; W148-N158 PolarHBondContact O-N 2.85Å; W148-H159 PolarHBondContact NE1-O 2.95Å; W148-L174 WeakPolarHBondContact CB-O 3.24Å; W148-Q175 WeakPolarHBondContact CA-O 3.18Å; W148-Q175 VanDerWaalsContact CB-O 3.25Å; W148-Q175 WeakPolarHBondContact CB-O 3.46Å; W148-W177 AromaticContact CD2-CD1 3.81Å; W148-W177 AromaticContact CD2-NE1 3.4Å; W148-W177 AromaticContact CE2-CE2 3.89Å; W148-W177 AromaticContact CE2-NE1 3.27Å; W148-W177 VanDerWaalsContact CE2-NE1 3.27Å; W148-W177 AromaticContact CE3-CD1 3.62Å; W148-W177 HydrophobicContact CE3-CD2 4.45Å; W148-W177 HydrophobicContact CE3-CG 4.24Å; W148-W177 AromaticContact CE3-NE1 3.47Å; W148-W177 AromaticContact CH2-CD2 3.98Å; W148-W177 HydrophobicContact CH2-CD2 3.98Å; W148-W177 AromaticContact CH2-CE2 3.17Å; W148-W177 AromaticContact CH2-CH2 3.87Å; W148-W177 HydrophobicContact CH2-CH2 3.87Å; W148-W177 AromaticContact CH2-CZ2 3.13Å; W148-W177 HydrophobicContact CH2-CZ2 3.13Å; W148-W177 AromaticContact CH2-NE1 3.41Å; W148-W177 AromaticContact CZ2-CE2 3.39Å; W148-W177 HydrophobicContact CZ2-CH2 4.31Å; W148-W177 AromaticContact CZ2-CZ2 3.25Å; W148-W177 HydrophobicContact CZ2-CZ2 3.25Å; W148-W177 AromaticContact CZ2-NE1 3.31Å; W148-W177 VanDerWaalsContact CZ2-NE1 3.31Å; W148-W177 AromaticContact CZ3-CD1 3.84Å; W148-W177 AromaticContact CZ3-CD2 3.9Å; W148-W177 HydrophobicContact CZ3-CD2 3.9Å; W148-W177 AromaticContact CZ3-CE2 3.49Å; W148-W177 VanDerWaalsContact CZ3-CE2 3.49Å; W148-W177 HydrophobicContact CZ3-CG 4.12Å; W148-W177 AromaticContact CZ3-CZ2 3.94Å; W148-W177 HydrophobicContact CZ3-CZ2 3.94Å; W148-W177 AromaticContact CZ3-NE1 3.46Å; W148-W177 AromaticContact NE1-NE1 3.98Å; W148-T179 HydrophobicContact CH2-CG2 3.85Å; W148-T179 HydrophobicContact CZ3-CG2 3.99Å; W148-S187 PolarHBondContact NE1-OG 2.8Å; W148-Y206 HydrophobicContact CH2-CD2 4.13Å; W148-Y206 HydrophobicContact CH2-CG 4.33Å; W148-Y206 HydrophobicContact CZ2-CD2 4.37Å; W148-Y206 HydrophobicContact CZ2-CG 4.1Å
149Q98.4Very high97.7Very high69 Ų6943.5 Ų43.532%0.32224%0.244SC..EExtended strand (participates in β ladder)trans-119.1140.9173.9-59.9-165.2-83.500111.1T154 V156 I157 Q175 S176Q149-T154 PolarHBondContact NE2-O 2.88Å; Q149-V156 WeakPolarHBondContact CG-O 3.35Å; Q149-V156 PolarHBondContact NE2-O 2.71Å; Q149-I157 HydrophobicContact CG-CG1 4.06Å; Q149-Q175 PolarHBondContact N-O 3.04Å; Q149-S176 VanDerWaalsContact O-CA 3.28Å; Q149-S176 WeakPolarHBondContact O-CA 3.3Å; Q149-S176 VanDerWaalsContact O-CB 3.29Å; Q149-S176 WeakPolarHBondContact O-CB 3.29Å; Q149-S176 PolarHBondContact O-OG 2.91Å
150P98.2Very high97.9Very high2 Ų239 Ų391%0.01322%0.22CC..EExtended strand (participates in β ladder)trans-59.6143.4170.3-15.728.3000111.1W148 G152 Q153 T179 T208W148-P150 HydrophobicContact CH2-CG 4.31Å; W148-P150 HydrophobicContact CZ3-CB 4.13Å; W148-P150 HydrophobicContact CZ3-CG 3.85Å; P150-G152 PolarHBondContact O-N 3.22Å; P150-Q153 HydrophobicContact CB-CB 3.98Å; P150-Q153 HydrophobicContact CB-CG 4.15Å; P150-Q153 HydrophobicContact CG-CB 4.26Å; P150-Q153 PolarHBondContact O-N 2.87Å; P150-Q153 VanDerWaalsContact O-N 3.07Å; P150-T179 HydrophobicContact CB-CG2 3.84Å; P150-T179 HydrophobicContact CG-CG2 4.23Å; P150-T208 HydrophobicContact CG-CG2 4.31Å
151I97.7Very high97.9Very high102 Ų10234.8 Ų34.852%0.52320%0.197SC..THydrogen-bonded Turntrans-57.9125.7179.3-65.6175.8000109.8Q153 S176 W177 N178I151-Q153 VanDerWaalsContact C-N 3.29Å; I151-Q153 PolarHBondContact O-N 3.46Å; I151-S176 VanDerWaalsContact CG1-OG 3.29Å; I151-S176 WeakPolarHBondContact CG1-OG 3.28Å; I151-W177 PolarHBondContact N-O 3.22Å; I151-N178 HydrophobicContact CD1-CB 4.08Å
152G97Very high97.8Very high78 Ų7834.1 Ų34.180%0.80419%0.19SC*.THydrogen-bonded Turntrans77.86.1178.600000115.3P150P150-G152 PolarHBondContact O-N 3.22Å
153Q98Very high97.5Very high39 Ų3932.9 Ų32.918%0.18219%0.185CC..  trans-120116.4179.6-59.9-179.919.600109.6P150 I151 T208 E209P150-Q153 HydrophobicContact CB-CB 3.98Å; P150-Q153 HydrophobicContact CB-CG 4.15Å; P150-Q153 HydrophobicContact CG-CB 4.26Å; P150-Q153 PolarHBondContact O-N 2.87Å; P150-Q153 VanDerWaalsContact O-N 3.07Å; I151-Q153 VanDerWaalsContact C-N 3.29Å; I151-Q153 PolarHBondContact O-N 3.46Å; Q153-T208 VanDerWaalsContact OE1-CA 3.24Å; Q153-T208 VanDerWaalsContact OE1-CB 3.31Å; Q153-E209 VanDerWaalsContact C-OE1 3.23Å; Q153-E209 VanDerWaalsContact CA-OE1 3.24Å; Q153-E209 WeakPolarHBondContact CA-OE1 3.23Å; Q153-E209 HydrophobicContact CB-CG 4Å; Q153-E209 WeakPolarHBondContact CB-OE1 3.33Å; Q153-E209 HydrophobicContact CG-CB 4.25Å; Q153-E209 HydrophobicContact CG-CG 4.25Å
154T96.7Very high97Very high81 Ų8132.9 Ų32.950%0.49719%0.186SC..  trans-109.1-4.9-171.262.60000113.6Q149 E209 W611 R639Q149-T154 PolarHBondContact NE2-O 2.88Å; T154-E209 PolarHBondContact N-OE1 3.17Å; T154-W611 WeakPolarHBondContact O-CH2 3.35Å; T154-R639 PolarHBondContact O-NE 2.97Å; T154-R639 PolarHBondContact O-NH2 2.68Å
155N98.1Very high96.3Very high28 Ų2837.3 Ų37.315%0.1521%0.21CC..SBendtrans-102.29.4-179-61.3-44.9000113E209 F216 W611 V638 R639 F641N155-E209 HydrophobicContact CB-CG 4.14Å; N155-E209 VanDerWaalsContact CB-OE1 3.3Å; N155-E209 WeakPolarHBondContact CB-OE1 3.4Å; N155-E209 PolarHBondContact N-OE1 2.7Å; N155-E209 PolarHBondContact ND2-OE2 3.46Å; N155-F216 HydrophobicContact CB-CE1 4.14Å; N155-W611 WeakPolarHBondContact O-CZ3 3.27Å; N155-V638 WeakPolarHBondContact O-CA 3.15Å; N155-R639 HydrophobicContact CB-CG 4.23Å; N155-R639 WeakPolarHBondContact CB-O 3.28Å; N155-R639 PolarHBondContact O-N 3.35Å; N155-F641 WeakPolarHBondContact OD1-CE2 3.49Å
156V98.5Very high95.8Very high0 Ų035.3 Ų35.30%020%0.204CC..EExtended strand (participates in β ladder)trans-131.4137.9176.7179.50000110.2Q149 N158 A207 E209 F216 V638Q149-V156 WeakPolarHBondContact CG-O 3.35Å; Q149-V156 PolarHBondContact NE2-O 2.71Å; V156-N158 WeakPolarHBondContact CG1-OD1 3.21Å; V156-A207 HydrophobicContact CG1-CB 3.79Å; V156-A207 WeakPolarHBondContact CG1-O 3.47Å; V156-E209 HydrophobicContact CG2-CG 3.81Å; V156-F216 HydrophobicContact CG2-CD1 3.56Å; V156-F216 HydrophobicContact CG2-CE1 3.88Å; V156-V638 HydrophobicContact CG2-CG1 4.28Å
157I98.4Very high95.4Very high14 Ų1435.7 Ų35.77%0.07222%0.217CC..EExtended strand (participates in β ladder)trans-126.8124.7167.9-70.3178.4000108.1Y143 S147 Q149 W611 P636 S637Y143-I157 HydrophobicContact CD2-CD1 3.87Å; Y143-I157 HydrophobicContact CD2-CG2 4.2Å; Y143-I157 HydrophobicContact CE2-CD1 4.31Å; Y143-I157 HydrophobicContact CG-CD1 4.19Å; S147-I157 VanDerWaalsContact CB-CG2 3.41Å; Q149-I157 HydrophobicContact CG-CG1 4.06Å; I157-W611 HydrophobicContact CB-CH2 4.42Å; I157-W611 HydrophobicContact CB-CZ3 4.24Å; I157-W611 HydrophobicContact CD1-CD2 3.92Å; I157-W611 VanDerWaalsContact CD1-CE2 3.43Å; I157-W611 HydrophobicContact CD1-CE3 4.22Å; I157-W611 HydrophobicContact CD1-CH2 3.71Å; I157-W611 HydrophobicContact CD1-CZ2 3.33Å; I157-W611 HydrophobicContact CD1-CZ3 4.12Å; I157-W611 HydrophobicContact CG1-CD2 4.49Å; I157-W611 HydrophobicContact CG1-CE3 4.3Å; I157-W611 HydrophobicContact CG1-CH2 3.51Å; I157-W611 HydrophobicContact CG1-CZ2 3.71Å; I157-W611 HydrophobicContact CG1-CZ3 3.81Å; I157-P636 CarbonylContact O-C 3.59Å; I157-P636 VanDerWaalsContact O-CA 3.29Å; I157-P636 WeakPolarHBondContact O-CA 3.42Å; I157-P636 WeakPolarHBondContact O-CB 3.28Å; I157-S637 PolarHBondContact N-O 3.45Å; I157-S637 PolarHBondContact O-N 2.83Å
158N98.7Very high94.9Very high0 Ų038.3 Ų38.30%024%0.24CC..EExtended strand (participates in β ladder)trans-108.6159-179.5-66.1-43.4000110.8S147 W148 V156 Y206 A207 P636S147-N158 CarbonylContact C-O 3.58Å; S147-N158 WeakPolarHBondContact CA-O 3.29Å; S147-N158 WeakPolarHBondContact CB-O 3.43Å; W148-N158 HydrophobicContact CD2-CB 3.81Å; W148-N158 HydrophobicContact CE3-CB 4.47Å; W148-N158 HydrophobicContact CG-CB 4.2Å; W148-N158 HydrophobicContact CH2-CB 4.12Å; W148-N158 WeakPolarHBondContact CH2-ND2 3.49Å; W148-N158 HydrophobicContact CZ2-CB 3.4Å; W148-N158 VanDerWaalsContact CZ2-CB 3.4Å; W148-N158 VanDerWaalsContact CZ2-ND2 3.33Å; W148-N158 WeakPolarHBondContact CZ2-ND2 3.12Å; W148-N158 PolarHBondContact N-O 3.23Å; W148-N158 VanDerWaalsContact NE1-CB 3.35Å; W148-N158 PolarHBondContact O-N 2.85Å; V156-N158 WeakPolarHBondContact CG1-OD1 3.21Å; N158-Y206 WeakPolarHBondContact OD1-CA 3.42Å; N158-A207 PolarHBondContact ND2-O 2.6Å; N158-A207 PolarHBondContact OD1-N 2.87Å; N158-A207 PolarHBondContact OD1-O 3.37Å; N158-P636 WeakPolarHBondContact OD1-CB 3.48Å
159H98.3Very high94.5Very high4 Ų443 Ų432%0.01927%0.265CS..EExtended strand (participates in β ladder)trans-84.5145.9177.8-166.3-78.2000111.5P134 P144 W148 W171P134-H159 WeakPolarHBondContact CB-NE2 3.31Å; P144-H159 HydrophobicContact CB-CB 4.14Å; P144-H159 HydrophobicContact CG-CB 4.02Å; W148-H159 PolarHBondContact NE1-O 2.95Å; H159-W171 AromaticContact CE1-CD2 3.78Å; H159-W171 AromaticContact CE1-CE2 3.89Å; H159-W171 AromaticContact CE1-CE3 3.52Å; H159-W171 AromaticContact CE1-CH2 3.54Å; H159-W171 AromaticContact CE1-CZ2 3.79Å; H159-W171 AromaticContact CE1-CZ3 3.41Å; H159-W171 VanDerWaalsContact CE1-CZ3 3.41Å; H159-W171 WeakPolarHBondContact CE1-CZ3 3.14Å
160Q98.1Very high94.4Very high9 Ų943 Ų434%0.04227%0.27CS..PPolyproline II helixtrans-67.7158.9173.5-77.5-179.42.100113.3Y146 S147 W171 D172 L174Y146-Q160 PolarHBondContact O-N 3.36Å; S147-Q160 PolarHBondContact O-NE2 2.9Å; Q160-W171 HydrophobicContact CB-CB 3.94Å; Q160-D172 WeakPolarHBondContact CB-OD1 3.27Å; Q160-D172 WeakPolarHBondContact CG-OD1 3.43Å; Q160-L174 WeakPolarHBondContact CG-O 3.33Å; Q160-L174 PolarHBondContact NE2-O 2.81Å
161G96.4Very high94.3Very high0 Ų044.1 Ų44.10%027%0.274CS..PPolyproline II helixtrans-79173169.300000111.9W171 D172 Y188G161-W171 CarbonylContact O-C 3.53Å; G161-W171 WeakPolarHBondContact O-CA 3.36Å; G161-W171 WeakPolarHBondContact O-CB 3.34Å; G161-D172 WeakPolarHBondContact CA-OD2 3.43Å; G161-D172 PolarHBondContact N-OD1 3.11Å; G161-D172 PolarHBondContact N-OD2 3.2Å; G161-D172 PolarHBondContact O-N 2.85Å; G161-Y188 CarbonylContact C-O 3.42Å; G161-Y188 WeakPolarHBondContact CA-O 3.23Å
162G94.4Very high94.1Very high8 Ų842.1 Ų42.18%0.08226%0.264CS..EExtended strand (participates in β ladder)trans-173.6-172.8-176.100000113.8Y188 I189 Y190G162-Y188 PolarHBondContact N-O 2.84Å; G162-I189 WeakPolarHBondContact O-CA 3.26Å; G162-Y190 WeakPolarHBondContact O-CD2 3.32Å; G162-Y190 PolarHBondContact O-N 2.84Å
163K91.9Very high94.1Very high74 Ų7440.4 Ų40.432%0.32225%0.247SC..EExtended strand (participates in β ladder)trans-137.9134.1-176.5-75-170.4178.3-173.60109.6K132 N165 T166 Y190 V193 E197K132-K163 VanDerWaalsContact CD-O 3.3Å; K132-K163 WeakPolarHBondContact CD-O 3.36Å; K132-K163 WeakPolarHBondContact CE-O 3.48Å; K132-K163 PolarHBondContact NZ-O 2.86Å; K163-N165 VanDerWaalsContact C-N 3.31Å; K163-N165 PolarHBondContact O-N 3.01Å; K163-T166 HydrophobicContact CB-CG2 3.83Å; K163-T166 PolarHBondContact O-N 2.91Å; K163-T166 PolarHBondContact O-OG1 3.02Å; K163-Y190 WeakPolarHBondContact CA-O 3.12Å; K163-Y190 HydrophobicContact CG-CD2 4.42Å; K163-V193 HydrophobicContact CB-CG2 3.79Å; K163-V193 HydrophobicContact CD-CB 4.43Å; K163-V193 HydrophobicContact CD-CG1 4.18Å; K163-V193 HydrophobicContact CD-CG2 4.31Å; K163-V193 HydrophobicContact CG-CG1 4.12Å; K163-V193 HydrophobicContact CG-CG2 4.19Å; K163-E197 WeakPolarHBondContact CE-O 3.25Å; K163-E197 PolarHBondContact NZ-O 2.75Å
164D87.4Confident94Very high18 Ų1841.3 Ų41.310%0.09625%0.253CS..THydrogen-bonded Turntrans-66.9-29.5-175.568.5-21.3000114.3T130 K132 T166 Y190 Y191 G192 V193T130-D164 VanDerWaalsContact O-CB 3.28Å; T130-D164 WeakPolarHBondContact O-CB 3.29Å; K132-D164 HydrophobicContact CB-CB 4.46Å; D164-T166 VanDerWaalsContact C-N 3.3Å; D164-T166 PolarHBondContact O-N 2.87Å; D164-Y190 PolarHBondContact N-O 2.79Å; D164-Y191 HydrophobicContact CB-CD1 3.76Å; D164-Y191 HydrophobicContact CB-CE1 4.25Å; D164-G192 VanDerWaalsContact CG-N 3.32Å; D164-G192 PolarHBondContact OD1-N 2.81Å; D164-G192 PolarHBondContact OD2-N 3.08Å; D164-V193 WeakPolarHBondContact OD1-CG2 3.38Å; D164-V193 PolarHBondContact OD1-N 2.86Å
165N84.1Confident94.1Very high94 Ų9443.6 Ų43.650%0.50326%0.258SS..THydrogen-bonded Turntrans-82.2-0.3177.974.5-4.5000114.8K163 V193K163-N165 VanDerWaalsContact C-N 3.31Å; K163-N165 PolarHBondContact O-N 3.01Å; N165-V193 HydrophobicContact CB-CG2 3.86Å; N165-V193 WeakPolarHBondContact ND2-CG2 3.29Å; N165-V193 PolarHBondContact ND2-O 3.46Å; N165-V193 WeakPolarHBondContact OD1-CG2 3.28Å
166T88.1Confident94Very high46 Ų4645 Ų4528%0.28227%0.27SS..SBendtrans-93.4159174.466.60000110.8K132 K163 D164 V170K132-T166 PolarHBondContact NZ-OG1 2.9Å; K163-T166 HydrophobicContact CB-CG2 3.83Å; K163-T166 PolarHBondContact O-N 2.91Å; K163-T166 PolarHBondContact O-OG1 3.02Å; D164-T166 VanDerWaalsContact C-N 3.3Å; D164-T166 PolarHBondContact O-N 2.87Å; T166-V170 PolarHBondContact OG1-O 2.87Å
167A88.8Confident94Very high59 Ų5945.8 Ų45.849%0.48827%0.273SS..  trans-52.7148.9175.100000111.6K132 N169 V170K132-A167 PolarHBondContact NZ-O 2.9Å; A167-N169 WeakPolarHBondContact CB-OD1 3.06Å; A167-N169 PolarHBondContact O-N 2.89Å; A167-V170 HydrophobicContact CB-CG2 4.05Å; A167-V170 PolarHBondContact O-N 2.77Å
168A87.4Confident93.8Very high77 Ų7748.6 Ų48.664%0.63629%0.288SS*.THydrogen-bonded Turntrans-55.1-28.9-172.900000114W171A168-W171 PolarHBondContact O-NE1 3.02Å
169N90.9Very high93.7Very high101 Ų10149.7 Ų49.754%0.5430%0.295SS..THydrogen-bonded Turntrans-91.10.3179.965.5-34.3000114.7Y146 A167Y146-N169 WeakPolarHBondContact CE1-O 3.36Å; Y146-N169 WeakPolarHBondContact OH-CA 3.3Å; Y146-N169 VanDerWaalsContact OH-CB 3.24Å; Y146-N169 WeakPolarHBondContact OH-CB 3.42Å; A167-N169 WeakPolarHBondContact CB-OD1 3.06Å; A167-N169 PolarHBondContact O-N 2.89Å
170V94.5Very high93.4Very high69 Ų6954 Ų5442%0.41833%0.325SS..  trans-101116.3-177.81790000110.3K132 T166 A167K132-V170 WeakPolarHBondContact CE-O 3.49Å; K132-V170 PolarHBondContact NZ-O 2.79Å; T166-V170 PolarHBondContact OG1-O 2.87Å; A167-V170 HydrophobicContact CB-CG2 4.05Å; A167-V170 PolarHBondContact O-N 2.77Å
171W96Very high93.1Very high25 Ų2557.7 Ų57.710%0.09535%0.349CS..BIsolated β-bridgetrans-126.6176.5-179.8-59.192.7000110.3K132 Y146 H159 Q160 G161 A168 G173 I189K132-W171 HydrophobicContact CD-CE3 4.13Å; K132-W171 HydrophobicContact CD-CH2 3.64Å; K132-W171 HydrophobicContact CD-CZ2 4.36Å; K132-W171 HydrophobicContact CD-CZ3 3.49Å; K132-W171 VanDerWaalsContact CD-CZ3 3.49Å; K132-W171 VanDerWaalsContact CE-CE3 3.48Å; K132-W171 HydrophobicContact CG-CH2 3.75Å; K132-W171 HydrophobicContact CG-CZ2 4.37Å; K132-W171 HydrophobicContact CG-CZ3 4.13Å; Y146-W171 AromaticContact CD1-CD1 3.4Å; Y146-W171 VanDerWaalsContact CD1-CD1 3.4Å; Y146-W171 HydrophobicContact CD1-CG 4.25Å; Y146-W171 AromaticContact CD2-CD1 3.24Å; Y146-W171 AromaticContact CD2-CE2 3.93Å; Y146-W171 HydrophobicContact CD2-CG 4.18Å; Y146-W171 AromaticContact CD2-NE1 3.03Å; Y146-W171 AromaticContact CE1-CD1 3.76Å; Y146-W171 AromaticContact CE2-CD1 3.62Å; Y146-W171 AromaticContact CE2-NE1 3.27Å; Y146-W171 VanDerWaalsContact CE2-NE1 3.27Å; Y146-W171 HydrophobicContact CG-CB 4.48Å; Y146-W171 AromaticContact CG-CD1 3.1Å; Y146-W171 AromaticContact CG-CG 3.84Å; Y146-W171 HydrophobicContact CG-CG 3.84Å; Y146-W171 AromaticContact CG-NE1 3.48Å; Y146-W171 AromaticContact CZ-CD1 3.86Å; Y146-W171 AromaticContact CZ-NE1 3.9Å; H159-W171 AromaticContact CE1-CD2 3.78Å; H159-W171 AromaticContact CE1-CE2 3.89Å; H159-W171 AromaticContact CE1-CE3 3.52Å; H159-W171 AromaticContact CE1-CH2 3.54Å; H159-W171 AromaticContact CE1-CZ2 3.79Å; H159-W171 AromaticContact CE1-CZ3 3.41Å; H159-W171 VanDerWaalsContact CE1-CZ3 3.41Å; H159-W171 WeakPolarHBondContact CE1-CZ3 3.14Å; Q160-W171 HydrophobicContact CB-CB 3.94Å; G161-W171 CarbonylContact O-C 3.53Å; G161-W171 WeakPolarHBondContact O-CA 3.36Å; G161-W171 WeakPolarHBondContact O-CB 3.34Å; A168-W171 PolarHBondContact O-NE1 3.02Å; W171-G173 PolarHBondContact O-N 3.43Å; W171-G173 VanDerWaalsContact O-N 3.16Å; W171-I189 HydrophobicContact CH2-CD1 4.5Å; W171-I189 HydrophobicContact CZ3-CD1 3.94Å; W171-I189 HydrophobicContact CZ3-CG1 4.11Å
172D94.7Very high92.7Very high61 Ų6162.1 Ų62.133%0.32637%0.372SS..  trans-67-13.6-174.171.29.1000114.6Q160 G161 L174 S187Q160-D172 WeakPolarHBondContact CB-OD1 3.27Å; Q160-D172 WeakPolarHBondContact CG-OD1 3.43Å; G161-D172 WeakPolarHBondContact CA-OD2 3.43Å; G161-D172 PolarHBondContact N-OD1 3.11Å; G161-D172 PolarHBondContact N-OD2 3.2Å; G161-D172 PolarHBondContact O-N 2.85Å; D172-L174 PolarHBondContact O-N 2.93Å; D172-L174 WeakPolarHBondContact OD1-CB 3.39Å; D172-L174 PolarHBondContact OD1-N 2.82Å; D172-S187 WeakPolarHBondContact OD2-CA 3.38Å; D172-S187 PolarHBondContact OD2-N 3.13Å
173G96.7Very high92.7Very high42 Ų4263.4 Ų63.443%0.43338%0.377SS..  trans73.30.4176.600000114.9W171 Q175W171-G173 PolarHBondContact O-N 3.43Å; W171-G173 VanDerWaalsContact O-N 3.16Å; G173-Q175 PolarHBondContact O-N 3.47Å; G173-Q175 PolarHBondContact O-NE2 2.96Å
174L96.8Very high92.8Very high58 Ų5860.8 Ų60.830%0.30437%0.365SS..  trans-62131.7178.2-69.1177.5000109.7W148 Q160 D172 N186W148-L174 WeakPolarHBondContact CB-O 3.24Å; Q160-L174 WeakPolarHBondContact CG-O 3.33Å; Q160-L174 PolarHBondContact NE2-O 2.81Å; D172-L174 PolarHBondContact O-N 2.93Å; D172-L174 WeakPolarHBondContact OD1-CB 3.39Å; D172-L174 PolarHBondContact OD1-N 2.82Å; L174-N186 HydrophobicContact CD1-CB 3.8Å
175Q97.4Very high93Very high129 Ų12964 Ų6460%0.60339%0.385SS*.  trans-107.9-21.6-179.8-61-60.5-4600112.8S147 W148 Q149 G173S147-Q175 PolarHBondContact O-OE1 3.04Å; W148-Q175 WeakPolarHBondContact CA-O 3.18Å; W148-Q175 VanDerWaalsContact CB-O 3.25Å; W148-Q175 WeakPolarHBondContact CB-O 3.46Å; Q149-Q175 PolarHBondContact N-O 3.04Å; G173-Q175 PolarHBondContact O-N 3.47Å; G173-Q175 PolarHBondContact O-NE2 2.96Å
176S97.7Very high93.5Very high58 Ų5861.3 Ų61.341%0.40637%0.371SS..EExtended strand (participates in β ladder)trans-164.8152.9175.6-170.10000111.2Q149 I151Q149-S176 VanDerWaalsContact O-CA 3.28Å; Q149-S176 WeakPolarHBondContact O-CA 3.3Å; Q149-S176 VanDerWaalsContact O-CB 3.29Å; Q149-S176 WeakPolarHBondContact O-CB 3.29Å; Q149-S176 PolarHBondContact O-OG 2.91Å; I151-S176 VanDerWaalsContact CG1-OG 3.29Å; I151-S176 WeakPolarHBondContact CG1-OG 3.28Å
177W96.5Very high93.9Very high15 Ų1559.5 Ų59.56%0.05736%0.36CS..EExtended strand (participates in β ladder)trans-158.2162.9167.254.1-90.7000111.3W148 I151 T179 N183 N186 S187 Y206W148-W177 AromaticContact CD2-CD1 3.81Å; W148-W177 AromaticContact CD2-NE1 3.4Å; W148-W177 AromaticContact CE2-CE2 3.89Å; W148-W177 AromaticContact CE2-NE1 3.27Å; W148-W177 VanDerWaalsContact CE2-NE1 3.27Å; W148-W177 AromaticContact CE3-CD1 3.62Å; W148-W177 HydrophobicContact CE3-CD2 4.45Å; W148-W177 HydrophobicContact CE3-CG 4.24Å; W148-W177 AromaticContact CE3-NE1 3.47Å; W148-W177 AromaticContact CH2-CD2 3.98Å; W148-W177 HydrophobicContact CH2-CD2 3.98Å; W148-W177 AromaticContact CH2-CE2 3.17Å; W148-W177 AromaticContact CH2-CH2 3.87Å; W148-W177 HydrophobicContact CH2-CH2 3.87Å; W148-W177 AromaticContact CH2-CZ2 3.13Å; W148-W177 HydrophobicContact CH2-CZ2 3.13Å; W148-W177 AromaticContact CH2-NE1 3.41Å; W148-W177 AromaticContact CZ2-CE2 3.39Å; W148-W177 HydrophobicContact CZ2-CH2 4.31Å; W148-W177 AromaticContact CZ2-CZ2 3.25Å; W148-W177 HydrophobicContact CZ2-CZ2 3.25Å; W148-W177 AromaticContact CZ2-NE1 3.31Å; W148-W177 VanDerWaalsContact CZ2-NE1 3.31Å; W148-W177 AromaticContact CZ3-CD1 3.84Å; W148-W177 AromaticContact CZ3-CD2 3.9Å; W148-W177 HydrophobicContact CZ3-CD2 3.9Å; W148-W177 AromaticContact CZ3-CE2 3.49Å; W148-W177 VanDerWaalsContact CZ3-CE2 3.49Å; W148-W177 HydrophobicContact CZ3-CG 4.12Å; W148-W177 AromaticContact CZ3-CZ2 3.94Å; W148-W177 HydrophobicContact CZ3-CZ2 3.94Å; W148-W177 AromaticContact CZ3-NE1 3.46Å; W148-W177 AromaticContact NE1-NE1 3.98Å; I151-W177 PolarHBondContact N-O 3.22Å; W177-T179 HydrophobicContact CD2-CG2 4.49Å; W177-T179 HydrophobicContact CE3-CG2 3.91Å; W177-T179 HydrophobicContact CH2-CG2 3.79Å; W177-T179 HydrophobicContact CZ2-CG2 4.4Å; W177-T179 HydrophobicContact CZ3-CG2 3.52Å; W177-N183 HydrophobicContact CE3-CB 4.29Å; W177-N183 HydrophobicContact CH2-CB 4.47Å; W177-N183 HydrophobicContact CZ3-CB 3.84Å; W177-N186 HydrophobicContact CD2-CB 4.15Å; W177-N186 HydrophobicContact CG-CB 4.25Å; W177-N186 HydrophobicContact CZ2-CB 4.4Å; W177-S187 PolarHBondContact NE1-OG 3.11Å; W177-S187 VanDerWaalsContact NE1-OG 3.11Å; W177-Y206 HydrophobicContact CH2-CD2 4.49Å; W177-Y206 HydrophobicContact CH2-CE1 4.04Å; W177-Y206 AromaticContact CH2-CE2 4Å; W177-Y206 HydrophobicContact CH2-CE2 4Å; W177-Y206 AromaticContact CH2-CZ 3.71Å; W177-Y206 HydrophobicContact CZ2-CE1 4.45Å
178N96.1Very high94.2Very high73 Ų7356.8 Ų56.839%0.3934%0.337SS..  trans-79.1118.9-176.7-175.110.1000112.1I151 S180I151-N178 HydrophobicContact CD1-CB 4.08Å; N178-S180 PolarHBondContact ND2-OG 3.18Å; N178-S180 VanDerWaalsContact OD1-CB 3.3Å; N178-S180 WeakPolarHBondContact OD1-CB 3.38Å; N178-S180 PolarHBondContact OD1-N 2.85Å; N178-S180 PolarHBondContact OD1-OG 2.69Å; N178-S180 VanDerWaalsContact OD1-OG 3.04Å
179T95.5Very high94.6Very high24 Ų2453.2 Ų53.215%0.14731%0.308CS..  trans-96.62.717854.80000113.9W148 P150 W177 T181 Y206 T208W148-T179 HydrophobicContact CH2-CG2 3.85Å; W148-T179 HydrophobicContact CZ3-CG2 3.99Å; P150-T179 HydrophobicContact CB-CG2 3.84Å; P150-T179 HydrophobicContact CG-CG2 4.23Å; W177-T179 HydrophobicContact CD2-CG2 4.49Å; W177-T179 HydrophobicContact CE3-CG2 3.91Å; W177-T179 HydrophobicContact CH2-CG2 3.79Å; W177-T179 HydrophobicContact CZ2-CG2 4.4Å; W177-T179 HydrophobicContact CZ3-CG2 3.52Å; T179-T181 PolarHBondContact O-N 3.06Å; T179-Y206 HydrophobicContact CG2-CD2 4.48Å; T179-Y206 HydrophobicContact CG2-CE2 4.05Å; T179-T208 HydrophobicContact CG2-CG2 3.93Å
180S92.7Very high94.7Very high95 Ų9549.9 Ų49.966%0.66429%0.288SS*.SBendtrans-71.4-17.5178.878.30000113.5N178N178-S180 PolarHBondContact ND2-OG 3.18Å; N178-S180 VanDerWaalsContact OD1-CB 3.3Å; N178-S180 WeakPolarHBondContact OD1-CB 3.38Å; N178-S180 PolarHBondContact OD1-N 2.85Å; N178-S180 PolarHBondContact OD1-OG 2.69Å; N178-S180 VanDerWaalsContact OD1-OG 3.04Å
181T91Very high94.5Very high86 Ų8646.6 Ų46.653%0.52827%0.268SS..SBendtrans-123.6147.4175.955.50000109.3T179 N183T179-T181 PolarHBondContact O-N 3.06Å; T181-N183 PolarHBondContact O-N 3.22Å
182D89.2Confident93.8Very high93 Ų9346.2 Ų46.250%0.49727%0.272SS..  trans-57.5129.9174.5-76-20.2000111.3Y184 K219D182-Y184 HydrophobicContact CB-CE2 3.72Å; D182-Y184 PolarHBondContact OD2-OH 2.85Å; D182-K219 IonicContact OD1-NZ 2.65Å
183N93Very high92.5Very high34 Ų3443.7 Ų43.718%0.18226%0.259CS..  trans-128.8135.2175.4176-79.4000108.6W177 T181 T185 N186 R204W177-N183 HydrophobicContact CE3-CB 4.29Å; W177-N183 HydrophobicContact CH2-CB 4.47Å; W177-N183 HydrophobicContact CZ3-CB 3.84Å; T181-N183 PolarHBondContact O-N 3.22Å; N183-T185 PolarHBondContact ND2-OG1 2.87Å; N183-T185 PolarHBondContact OD1-N 3.31Å; N183-T185 PolarHBondContact OD1-OG1 3.25Å; N183-N186 WeakPolarHBondContact OD1-CB 3.49Å; N183-N186 PolarHBondContact OD1-N 2.61Å; N183-R204 PolarHBondContact O-NH1 2.89Å; N183-R204 PolarHBondContact O-NH2 2.84Å; N183-R204 PolarHBondContact OD1-NH1 3.11Å
184Y93.3Very high90.6Very high20 Ų2044.7 Ų44.78%0.07827%0.269CS..SBendtrans-126.324.2-179.3-57.1-75.5000112.5D182 Y188 R223 I551 R554 N555D182-Y184 HydrophobicContact CB-CE2 3.72Å; D182-Y184 PolarHBondContact OD2-OH 2.85Å; Y184-Y188 VanDerWaalsContact C-CE2 3.47Å; Y184-Y188 WeakPolarHBondContact O-CE2 3.21Å; Y184-R223 PolarHBondContact O-NH2 3.17Å; Y184-I551 HydrophobicContact CD1-CD1 3.59Å; Y184-I551 HydrophobicContact CE1-CB 4.43Å; Y184-I551 HydrophobicContact CE1-CD1 3.28Å; Y184-I551 HydrophobicContact CE1-CG1 3.92Å; Y184-I551 HydrophobicContact CG-CD1 4.5Å; Y184-R554 HydrophobicContact CE2-CB 4.38Å; Y184-N555 HydrophobicContact CD1-CB 4.12Å; Y184-N555 HydrophobicContact CD2-CB 4.05Å; Y184-N555 HydrophobicContact CG-CB 3.74Å
185T92.3Very high88.4Confident84 Ų8443.8 Ų43.852%0.51527%0.274SS..SBendtrans-119.4-36.4-176.859.20000113.4N183N183-T185 PolarHBondContact ND2-OG1 2.87Å; N183-T185 PolarHBondContact OD1-N 3.31Å; N183-T185 PolarHBondContact OD1-OG1 3.25Å
186N94.9Very high86.2Confident39 Ų3939.2 Ų39.221%0.20925%0.252CS..SBendtrans-90.9146.3-168.6-64.60.9000111.5L174 W177 N183 Y188 R204L174-N186 HydrophobicContact CD1-CB 3.8Å; W177-N186 HydrophobicContact CD2-CB 4.15Å; W177-N186 HydrophobicContact CG-CB 4.25Å; W177-N186 HydrophobicContact CZ2-CB 4.4Å; N183-N186 WeakPolarHBondContact OD1-CB 3.49Å; N183-N186 PolarHBondContact OD1-N 2.61Å; N186-Y188 VanDerWaalsContact C-N 3.3Å; N186-Y188 WeakPolarHBondContact O-CD2 3.2Å; N186-Y188 PolarHBondContact O-N 3.03Å; N186-R204 WeakPolarHBondContact O-CD 3.42Å; N186-R204 PolarHBondContact O-NH1 2.68Å; N186-R204 VanDerWaalsContact O-NH1 3.15Å
187S95.6Very high84.3Confident7 Ų743.9 Ų43.95%0.04927%0.267CS..SBendtrans6229.2168.5-48.60000115.5W148 D172 W177 R204W148-S187 PolarHBondContact NE1-OG 2.8Å; D172-S187 WeakPolarHBondContact OD2-CA 3.38Å; D172-S187 PolarHBondContact OD2-N 3.13Å; W177-S187 PolarHBondContact NE1-OG 3.11Å; W177-S187 VanDerWaalsContact NE1-OG 3.11Å; S187-R204 WeakPolarHBondContact O-CG 3.22Å
188Y95.9Very high83.1Confident2 Ų248.2 Ų48.21%0.00829%0.286CS..PPolyproline II helixtrans-85.6140.3167.5-73.9-99.5000110.9G161 G162 Y184 N186 A202 L203 R204 N221 R223 E590G161-Y188 CarbonylContact C-O 3.42Å; G161-Y188 WeakPolarHBondContact CA-O 3.23Å; G162-Y188 PolarHBondContact N-O 2.84Å; Y184-Y188 VanDerWaalsContact C-CE2 3.47Å; Y184-Y188 WeakPolarHBondContact O-CE2 3.21Å; N186-Y188 VanDerWaalsContact C-N 3.3Å; N186-Y188 WeakPolarHBondContact O-CD2 3.2Å; N186-Y188 PolarHBondContact O-N 3.03Å; Y188-A202 HydrophobicContact CD1-CB 3.53Å; Y188-A202 HydrophobicContact CE1-CB 4.27Å; Y188-A202 HydrophobicContact CG-CB 4.16Å; Y188-L203 CarbonylContact C-O 3.56Å; Y188-L203 WeakPolarHBondContact CA-O 3.46Å; Y188-R204 HydrophobicContact CD1-CB 3.68Å; Y188-R204 HydrophobicContact CD2-CB 4.31Å; Y188-R204 HydrophobicContact CE1-CB 3.83Å; Y188-R204 HydrophobicContact CE2-CB 4.41Å; Y188-R204 VanDerWaalsContact CE2-NH1 3.3Å; Y188-R204 HydrophobicContact CG-CB 3.96Å; Y188-R204 VanDerWaalsContact OH-CZ 3.3Å; Y188-R204 PolarHBondContact OH-NH2 3.4Å; Y188-R204 VanDerWaalsContact OH-NH2 3.11Å; Y188-N221 HydrophobicContact CE1-CB 3.98Å; Y188-R223 PolarHBondContact OH-NH2 2.79Å; Y188-E590 WeakPolarHBondContact CE1-OE1 3.36Å; Y188-E590 PolarHBondContact OH-OE1 3.43Å
189I95.4Very high82.3Confident3 Ų344.8 Ų44.82%0.01527%0.269CS..EExtended strand (participates in β ladder)trans-91.4119.1163.4-53.4176.6000107.2K132 P134 G162 W171 Y191 A202 L203K132-I189 HydrophobicContact CB-CG2 4.2Å; K132-I189 HydrophobicContact CD-CG2 4.03Å; P134-I189 HydrophobicContact CG-CD1 4.46Å; G162-I189 WeakPolarHBondContact O-CA 3.26Å; W171-I189 HydrophobicContact CH2-CD1 4.5Å; W171-I189 HydrophobicContact CZ3-CD1 3.94Å; W171-I189 HydrophobicContact CZ3-CG1 4.11Å; I189-Y191 HydrophobicContact CB-CE2 4.11Å; I189-Y191 HydrophobicContact CG2-CD2 4.28Å; I189-Y191 HydrophobicContact CG2-CE2 3.55Å; I189-A202 WeakPolarHBondContact O-CA 3.29Å; I189-L203 PolarHBondContact N-O 2.86Å; I189-L203 PolarHBondContact O-N 3.33Å
190Y93Very high81.8Confident30 Ų3044.3 Ų44.312%0.11827%0.265CS..EExtended strand (participates in β ladder)trans-100.8128.1-178.2-60.4-74.9000110.9G162 K163 D164 K198 I201 A202G162-Y190 WeakPolarHBondContact O-CD2 3.32Å; G162-Y190 PolarHBondContact O-N 2.84Å; K163-Y190 WeakPolarHBondContact CA-O 3.12Å; K163-Y190 HydrophobicContact CG-CD2 4.42Å; D164-Y190 PolarHBondContact N-O 2.79Å; Y190-K198 HydrophobicContact CD1-CB 4.42Å; Y190-K198 WeakPolarHBondContact CD1-O 2.96Å; Y190-K198 HydrophobicContact CE1-CB 4.18Å; Y190-K198 WeakPolarHBondContact CE1-O 3.42Å; Y190-I201 WeakPolarHBondContact CA-O 3.29Å; Y190-A202 HydrophobicContact CD1-CB 3.47Å; Y190-A202 VanDerWaalsContact CD1-CB 3.47Å; Y190-A202 HydrophobicContact CE1-CB 3.56Å
191Y90.4Very high81.8Confident0 Ų039.8 Ų39.80%023%0.234CC..EExtended strand (participates in β ladder)trans-109.9141178.4-67.7-85.7000110.3N131 K132 D164 I189 G199 D200 I201 L203 L631 D632N131-Y191 PolarHBondContact OD1-OH 3.21Å; K132-Y191 HydrophobicContact CB-CE1 4.11Å; D164-Y191 HydrophobicContact CB-CD1 3.76Å; D164-Y191 HydrophobicContact CB-CE1 4.25Å; I189-Y191 HydrophobicContact CB-CE2 4.11Å; I189-Y191 HydrophobicContact CG2-CD2 4.28Å; I189-Y191 HydrophobicContact CG2-CE2 3.55Å; Y191-G199 CarbonylContact O-C 3.6Å; Y191-G199 VanDerWaalsContact O-CA 3.25Å; Y191-G199 WeakPolarHBondContact O-CA 3.21Å; Y191-D200 PolarHBondContact O-N 2.75Å; Y191-I201 PolarHBondContact N-O 3.11Å; Y191-I201 PolarHBondContact O-N 3.34Å; Y191-L203 HydrophobicContact CD2-CD1 4.21Å; Y191-L203 HydrophobicContact CD2-CG 4.17Å; Y191-L203 HydrophobicContact CE2-CB 4.43Å; Y191-L203 HydrophobicContact CE2-CD1 3.63Å; Y191-L203 HydrophobicContact CE2-CG 3.92Å; Y191-L631 HydrophobicContact CD1-CD1 4.37Å; Y191-L631 HydrophobicContact CD1-CD2 3.78Å; Y191-L631 HydrophobicContact CD1-CG 4.47Å; Y191-L631 HydrophobicContact CD2-CB 4.37Å; Y191-L631 HydrophobicContact CD2-CD1 4.06Å; Y191-L631 HydrophobicContact CE1-CB 4.25Å; Y191-L631 HydrophobicContact CE1-CD2 3.87Å; Y191-L631 HydrophobicContact CE2-CB 3.98Å; Y191-L631 HydrophobicContact CG-CD1 3.97Å; Y191-L631 HydrophobicContact CG-CD2 4.23Å; Y191-D632 PolarHBondContact OH-N 2.7Å; Y191-D632 PolarHBondContact OH-O 3.41Å
192G82.1Confident82Confident18 Ų1835.9 Ų35.919%0.18621%0.21CC..  trans85.417.7-17800000115D164 G194D164-G192 VanDerWaalsContact CG-N 3.32Å; D164-G192 PolarHBondContact OD1-N 2.81Å; D164-G192 PolarHBondContact OD2-N 3.08Å; G192-G194 PolarHBondContact O-N 2.84Å
193V66.8Low82.4Confident8 Ų831.5 Ų31.55%0.04819%0.187CC..THydrogen-bonded Turntrans-72.13.3-174-74.80000115.5K163 D164 N165 G195 K196 G199K163-V193 HydrophobicContact CB-CG2 3.79Å; K163-V193 HydrophobicContact CD-CB 4.43Å; K163-V193 HydrophobicContact CD-CG1 4.18Å; K163-V193 HydrophobicContact CD-CG2 4.31Å; K163-V193 HydrophobicContact CG-CG1 4.12Å; K163-V193 HydrophobicContact CG-CG2 4.19Å; D164-V193 WeakPolarHBondContact OD1-CG2 3.38Å; D164-V193 PolarHBondContact OD1-N 2.86Å; N165-V193 HydrophobicContact CB-CG2 3.86Å; N165-V193 WeakPolarHBondContact ND2-CG2 3.29Å; N165-V193 PolarHBondContact ND2-O 3.46Å; N165-V193 WeakPolarHBondContact OD1-CG2 3.28Å; V193-G195 PolarHBondContact O-N 3.47Å; V193-G195 VanDerWaalsContact O-N 3.16Å; V193-K196 PolarHBondContact O-N 2.9Å; V193-G199 VanDerWaalsContact CG1-N 3.28Å
194G56Low82.6Confident63 Ų6330 Ų3065%0.64918%0.178SC*.THydrogen-bonded Turntrans-58.4-25.9175.500000114.4G192G192-G194 PolarHBondContact O-N 2.84Å
195G52Low82.8Confident39 Ų3929.3 Ų29.340%0.40218%0.176SC..SBendtrans-121.20.8177.200000115.9V193V193-G195 PolarHBondContact O-N 3.47Å; V193-G195 VanDerWaalsContact O-N 3.16Å
196K51Low83.1Confident33 Ų3325.9 Ų25.914%0.14315%0.153CC..  trans-134.3147.3-174.6-76.9-174.7171178.20111.5V193 K198 G199 D225 S226 T228V193-K196 PolarHBondContact O-N 2.9Å; K196-K198 PolarHBondContact O-N 3.5Å; K196-G199 WeakPolarHBondContact CD-O 3.42Å; K196-D225 WeakPolarHBondContact CE-OD2 3.1Å; K196-D225 IonicContact NZ-OD1 3.89Å; K196-D225 IonicContact NZ-OD2 3.09Å; K196-D225 PolarHBondContact NZ-OD2 3.48Å; K196-S226 PolarHBondContact NZ-O 2.97Å; K196-T228 HydrophobicContact CD-CG2 3.84Å
197E57.5Low83.3Confident155 Ų15524 Ų2472%0.72414%0.144SC*.SBendtrans-65-25.1166.6-67.9-151.2152.100113.1K163K163-E197 WeakPolarHBondContact CE-O 3.25Å; K163-E197 PolarHBondContact NZ-O 2.75Å
198K70.6Confident83.4Confident106 Ų10624.8 Ų24.846%0.46115%0.148SC..SBendtrans-127.87.4-171.2-62.3-175.1-178.8175.10116.5Y190 K196Y190-K198 HydrophobicContact CD1-CB 4.42Å; Y190-K198 WeakPolarHBondContact CD1-O 2.96Å; Y190-K198 HydrophobicContact CE1-CB 4.18Å; Y190-K198 WeakPolarHBondContact CE1-O 3.42Å; K196-K198 PolarHBondContact O-N 3.5Å
199G80.1Confident83.6Confident2 Ų227.1 Ų27.12%0.02116%0.159CC..  trans71.2172.5173.500000116.1Y191 V193 K196Y191-G199 CarbonylContact O-C 3.6Å; Y191-G199 VanDerWaalsContact O-CA 3.25Å; Y191-G199 WeakPolarHBondContact O-CA 3.21Å; V193-G199 VanDerWaalsContact CG1-N 3.28Å; K196-G199 WeakPolarHBondContact CD-O 3.42Å
200D85.8Confident83.7Confident14 Ų1428.3 Ų28.38%0.07517%0.167CC..SBendtrans-83.5-38.9-178.7-57.117.3000111Y129 Y191 D225 T228 T526Y129-D200 HydrophobicContact CE1-CB 3.82Å; Y129-D200 WeakPolarHBondContact CE1-OD2 3.46Å; Y129-D200 WeakPolarHBondContact OH-CB 3.26Å; Y129-D200 PolarHBondContact OH-OD2 2.98Å; Y191-D200 PolarHBondContact O-N 2.75Å; D200-D225 PolarHBondContact O-N 2.87Å; D200-T228 HydrophobicContact CB-CG2 3.91Å; D200-T228 VanDerWaalsContact OD1-CB 3.3Å; D200-T228 WeakPolarHBondContact OD1-CB 3.35Å; D200-T228 WeakPolarHBondContact OD1-CG2 3.3Å; D200-T228 PolarHBondContact OD1-OG1 2.89Å; D200-T228 WeakPolarHBondContact OD2-CG2 3.2Å; D200-T228 PolarHBondContact OD2-OG1 3.21Å; D200-T526 HydrophobicContact CB-CG2 4.15Å
201I92.1Very high83.8Confident0 Ų034 Ų340%021%0.205CC..EExtended strand (participates in β ladder)trans-129.3133.6-178.4-60.2170.9000107.7Y129 Y190 Y191 L203 R223 T526 V527 L620 L631Y129-I201 HydrophobicContact CD2-CD1 4.37Å; Y129-I201 HydrophobicContact CE2-CD1 3.68Å; Y190-I201 WeakPolarHBondContact CA-O 3.29Å; Y191-I201 PolarHBondContact N-O 3.11Å; Y191-I201 PolarHBondContact O-N 3.34Å; I201-L203 HydrophobicContact CG2-CD2 3.56Å; I201-L203 HydrophobicContact CG2-CG 4.06Å; I201-R223 WeakPolarHBondContact CA-O 3.24Å; I201-T526 WeakPolarHBondContact CD1-O 3.36Å; I201-V527 HydrophobicContact CD1-CG2 4.12Å; I201-V527 HydrophobicContact CG1-CG2 4.1Å; I201-L620 HydrophobicContact CG2-CD2 4Å; I201-L631 HydrophobicContact CB-CD1 4.47Å; I201-L631 HydrophobicContact CD1-CD1 3.74Å; I201-L631 HydrophobicContact CG2-CD1 4.26Å
202A94.5Very high84Confident4 Ų439.3 Ų39.33%0.03323%0.228CC..EExtended strand (participates in β ladder)trans-119.8122.517300000110.2Y188 I189 Y190 R223Y188-A202 HydrophobicContact CD1-CB 3.53Å; Y188-A202 HydrophobicContact CE1-CB 4.27Å; Y188-A202 HydrophobicContact CG-CB 4.16Å; I189-A202 WeakPolarHBondContact O-CA 3.29Å; Y190-A202 HydrophobicContact CD1-CB 3.47Å; Y190-A202 VanDerWaalsContact CD1-CB 3.47Å; Y190-A202 HydrophobicContact CE1-CB 3.56Å; A202-R223 HydrophobicContact CB-CB 4.09Å; A202-R223 PolarHBondContact N-O 3.5Å; A202-R223 PolarHBondContact O-N 3.1Å
203L97.7Very high84.6Confident0 Ų045.1 Ų45.10%025%0.248CC..EExtended strand (participates in β ladder)trans-112.7135.8-179.1-55.3-170.4000110.4Y188 I189 Y191 I201 V222 L620 L631 F633Y188-L203 CarbonylContact C-O 3.56Å; Y188-L203 WeakPolarHBondContact CA-O 3.46Å; I189-L203 PolarHBondContact N-O 2.86Å; I189-L203 PolarHBondContact O-N 3.33Å; Y191-L203 HydrophobicContact CD2-CD1 4.21Å; Y191-L203 HydrophobicContact CD2-CG 4.17Å; Y191-L203 HydrophobicContact CE2-CB 4.43Å; Y191-L203 HydrophobicContact CE2-CD1 3.63Å; Y191-L203 HydrophobicContact CE2-CG 3.92Å; I201-L203 HydrophobicContact CG2-CD2 3.56Å; I201-L203 HydrophobicContact CG2-CG 4.06Å; L203-V222 HydrophobicContact CD2-CB 4.32Å; L203-V222 HydrophobicContact CD2-CG1 3.91Å; L203-V222 HydrophobicContact CD2-CG2 3.95Å; L203-L620 HydrophobicContact CD1-CB 4.09Å; L203-L620 HydrophobicContact CD2-CB 4.31Å; L203-L620 HydrophobicContact CD2-CD2 3.61Å; L203-L631 HydrophobicContact CD1-CB 3.6Å; L203-F633 HydrophobicContact CB-CD1 3.8Å; L203-F633 HydrophobicContact CB-CE1 3.67Å; L203-F633 HydrophobicContact CB-CG 4.36Å; L203-F633 HydrophobicContact CB-CZ 4.17Å; L203-F633 HydrophobicContact CD1-CD2 4.13Å; L203-F633 HydrophobicContact CD1-CE1 4.34Å; L203-F633 HydrophobicContact CD1-CE2 3.93Å; L203-F633 HydrophobicContact CD1-CG 4.46Å; L203-F633 HydrophobicContact CD1-CZ 4.03Å; L203-F633 HydrophobicContact CD2-CE1 4.03Å; L203-F633 HydrophobicContact CD2-CE2 4.44Å; L203-F633 HydrophobicContact CD2-CZ 3.79Å; L203-F633 HydrophobicContact CG-CE1 4.22Å; L203-F633 HydrophobicContact CG-CZ 4.22Å
204R97.4Very high86Confident3 Ų346.1 Ų46.11%0.01125%0.253CS..EExtended strand (participates in β ladder)trans-144.1142.6174.1178.5173.870174.42.1110.5N183 N186 S187 Y188 Y206 L220 N221N183-R204 PolarHBondContact O-NH1 2.89Å; N183-R204 PolarHBondContact O-NH2 2.84Å; N183-R204 PolarHBondContact OD1-NH1 3.11Å; N186-R204 WeakPolarHBondContact O-CD 3.42Å; N186-R204 PolarHBondContact O-NH1 2.68Å; N186-R204 VanDerWaalsContact O-NH1 3.15Å; S187-R204 WeakPolarHBondContact O-CG 3.22Å; Y188-R204 HydrophobicContact CD1-CB 3.68Å; Y188-R204 HydrophobicContact CD2-CB 4.31Å; Y188-R204 HydrophobicContact CE1-CB 3.83Å; Y188-R204 HydrophobicContact CE2-CB 4.41Å; Y188-R204 VanDerWaalsContact CE2-NH1 3.3Å; Y188-R204 HydrophobicContact CG-CB 3.96Å; Y188-R204 VanDerWaalsContact OH-CZ 3.3Å; Y188-R204 PolarHBondContact OH-NH2 3.4Å; Y188-R204 VanDerWaalsContact OH-NH2 3.11Å; R204-Y206 HydrophobicContact CG-CD1 4Å; R204-Y206 HydrophobicContact CG-CE1 4.46Å; R204-L220 CarbonylContact O-C 3.54Å; R204-L220 VanDerWaalsContact O-CA 3.28Å; R204-L220 WeakPolarHBondContact O-CA 3.35Å; R204-N221 HydrophobicContact CB-CB 4.35Å; R204-N221 PolarHBondContact N-O 2.93Å; R204-N221 VanDerWaalsContact N-O 3.09Å; R204-N221 PolarHBondContact NE-OD1 3.12Å; R204-N221 VanDerWaalsContact NE-OD1 3.1Å; R204-N221 PolarHBondContact NH2-OD1 2.91Å; R204-N221 PolarHBondContact O-N 2.84Å
205K98.4Very high88Confident6 Ų643.7 Ų43.73%0.02623%0.225CC..EExtended strand (participates in β ladder)trans-145.9135.3170.6-179.6-174.3-173.5153.60110.3V218 K219 L220 D534 Y595 N615 T618 F633 G634K205-V218 HydrophobicContact CG-CG1 4.28Å; K205-K219 CarbonylContact C-O 3.38Å; K205-K219 VanDerWaalsContact CA-O 3.25Å; K205-K219 WeakPolarHBondContact CA-O 3.45Å; K205-L220 HydrophobicContact CB-CD1 4.36Å; K205-L220 HydrophobicContact CB-CG 4.38Å; K205-L220 HydrophobicContact CD-CD1 4.11Å; K205-L220 HydrophobicContact CG-CB 4.43Å; K205-L220 HydrophobicContact CG-CD1 4.35Å; K205-D534 IonicContact NZ-OD1 2.73Å; K205-D534 PolarHBondContact NZ-OD1 2.93Å; K205-D534 IonicContact NZ-OD2 3.76Å; K205-D534 PolarHBondContact NZ-OD2 3.42Å; K205-Y595 PolarHBondContact NZ-OH 3.5Å; K205-N615 WeakPolarHBondContact CE-OD1 3.44Å; K205-N615 VanDerWaalsContact NZ-CB 3.33Å; K205-N615 PolarHBondContact NZ-ND2 2.78Å; K205-N615 PolarHBondContact NZ-OD1 2.87Å; K205-N615 VanDerWaalsContact NZ-OD1 3.08Å; K205-T618 HydrophobicContact CD-CG2 4.36Å; K205-T618 PolarHBondContact NZ-OG1 2.83Å; K205-F633 HydrophobicContact CB-CB 4.23Å; K205-F633 HydrophobicContact CB-CD1 4.07Å; K205-F633 HydrophobicContact CD-CB 4.49Å; K205-G634 WeakPolarHBondContact CB-O 3.16Å
206Y98.5Very high90.2Very high11 Ų1141.9 Ų41.94%0.04321%0.206CC..EExtended strand (participates in β ladder)trans-156.8161.6177.867.6-87000111.5W148 N158 W177 T179 R204 T208 V218 K219W148-Y206 HydrophobicContact CH2-CD2 4.13Å; W148-Y206 HydrophobicContact CH2-CG 4.33Å; W148-Y206 HydrophobicContact CZ2-CD2 4.37Å; W148-Y206 HydrophobicContact CZ2-CG 4.1Å; N158-Y206 WeakPolarHBondContact OD1-CA 3.42Å; W177-Y206 HydrophobicContact CH2-CD2 4.49Å; W177-Y206 HydrophobicContact CH2-CE1 4.04Å; W177-Y206 AromaticContact CH2-CE2 4Å; W177-Y206 HydrophobicContact CH2-CE2 4Å; W177-Y206 AromaticContact CH2-CZ 3.71Å; W177-Y206 HydrophobicContact CZ2-CE1 4.45Å; T179-Y206 HydrophobicContact CG2-CD2 4.48Å; T179-Y206 HydrophobicContact CG2-CE2 4.05Å; R204-Y206 HydrophobicContact CG-CD1 4Å; R204-Y206 HydrophobicContact CG-CE1 4.46Å; Y206-T208 HydrophobicContact CD2-CG2 4.27Å; Y206-T208 HydrophobicContact CE2-CG2 4.15Å; Y206-V218 WeakPolarHBondContact O-CA 3.28Å; Y206-K219 HydrophobicContact CE1-CB 4.17Å; Y206-K219 HydrophobicContact CE1-CD 3.75Å; Y206-K219 HydrophobicContact CE1-CG 4.22Å; Y206-K219 PolarHBondContact N-O 2.85Å; Y206-K219 PolarHBondContact O-N 2.97Å; Y206-K219 WeakPolarHBondContact OH-CD 3.42Å
207A98.6Very high92.5Very high1 Ų143.4 Ų43.41%0.00822%0.216CC..EExtended strand (participates in β ladder)trans-114.2161.917500000112V156 N158 N217 V218 P636 V638V156-A207 HydrophobicContact CG1-CB 3.79Å; V156-A207 WeakPolarHBondContact CG1-O 3.47Å; N158-A207 PolarHBondContact ND2-O 2.6Å; N158-A207 PolarHBondContact OD1-N 2.87Å; N158-A207 PolarHBondContact OD1-O 3.37Å; A207-N217 CarbonylContact C-O 3.57Å; A207-N217 WeakPolarHBondContact CA-O 3.29Å; A207-N217 WeakPolarHBondContact CB-O 3.27Å; A207-V218 HydrophobicContact CB-CG2 4.26Å; A207-P636 HydrophobicContact CB-CB 3.95Å; A207-P636 HydrophobicContact CB-CG 3.89Å; A207-V638 HydrophobicContact CB-CG1 4.24Å
208T98.5Very high94.4Very high22 Ų2236.1 Ų36.114%0.13518%0.181CC..EExtended strand (participates in β ladder)trans-139.9152.3168.955.50000110.8P150 Q153 T179 Y206 F216 N217P150-T208 HydrophobicContact CG-CG2 4.31Å; Q153-T208 VanDerWaalsContact OE1-CA 3.24Å; Q153-T208 VanDerWaalsContact OE1-CB 3.31Å; T179-T208 HydrophobicContact CG2-CG2 3.93Å; Y206-T208 HydrophobicContact CD2-CG2 4.27Å; Y206-T208 HydrophobicContact CE2-CG2 4.15Å; T208-F216 CarbonylContact O-C 3.45Å; T208-F216 WeakPolarHBondContact O-CA 3.16Å; T208-N217 PolarHBondContact N-O 2.88Å; T208-N217 PolarHBondContact O-N 2.78Å
209E98.4Very high95.7Very high51 Ų5132.2 Ų32.224%0.23817%0.165CC..EExtended strand (participates in β ladder)trans-64.6152.2173.7-66.9-175.5-147.200111.4Q153 T154 N155 V156 F216Q153-E209 VanDerWaalsContact C-OE1 3.23Å; Q153-E209 VanDerWaalsContact CA-OE1 3.24Å; Q153-E209 WeakPolarHBondContact CA-OE1 3.23Å; Q153-E209 HydrophobicContact CB-CG 4Å; Q153-E209 WeakPolarHBondContact CB-OE1 3.33Å; Q153-E209 HydrophobicContact CG-CB 4.25Å; Q153-E209 HydrophobicContact CG-CG 4.25Å; T154-E209 PolarHBondContact N-OE1 3.17Å; N155-E209 HydrophobicContact CB-CG 4.14Å; N155-E209 VanDerWaalsContact CB-OE1 3.3Å; N155-E209 WeakPolarHBondContact CB-OE1 3.4Å; N155-E209 PolarHBondContact N-OE1 2.7Å; N155-E209 PolarHBondContact ND2-OE2 3.46Å; V156-E209 HydrophobicContact CG2-CG 3.81Å; E209-F216 HydrophobicContact CG-CD1 4.42Å; E209-F216 HydrophobicContact CG-CE1 4.22Å
210T97.5Very high96.6Very high29 Ų2932.3 Ų32.318%0.17816%0.164CC..  trans-111.3-175.4169.176.20000111K212 E215T210-K212 PolarHBondContact O-N 2.87Å; T210-K212 PolarHBondContact OG1-N 3.08Å; T210-K212 VanDerWaalsContact OG1-N 3.16Å; T210-K212 PolarHBondContact OG1-O 2.61Å; T210-K212 VanDerWaalsContact OG1-O 3.07Å; T210-E215 WeakPolarHBondContact CB-O 3.37Å; T210-E215 HydrophobicContact CG2-CB 4.3Å; T210-E215 WeakPolarHBondContact CG2-O 3.13Å; T210-E215 PolarHBondContact N-O 2.91Å; T210-E215 WeakPolarHBondContact OG1-CB 3.27Å; T210-E215 PolarHBondContact OG1-O 3.05Å
211T96Very high97.2Very high149 Ų14931.6 Ų31.691%0.91416%0.161SC*.SBendtrans-68.7-19.7172.552.10000113.3
212K95.4Very high97.5Very high111 Ų11131.6 Ų31.648%0.48316%0.161SC..SBendtrans-96.9130.6173.6-71.2173.7177.8-173.50109.1T210 D214 E215T210-K212 PolarHBondContact O-N 2.87Å; T210-K212 PolarHBondContact OG1-N 3.08Å; T210-K212 VanDerWaalsContact OG1-N 3.16Å; T210-K212 PolarHBondContact OG1-O 2.61Å; T210-K212 VanDerWaalsContact OG1-O 3.07Å; K212-D214 PolarHBondContact O-N 2.83Å; K212-D214 VanDerWaalsContact O-N 3.15Å; K212-E215 HydrophobicContact CB-CB 4.04Å; K212-E215 HydrophobicContact CB-CG 4.21Å; K212-E215 HydrophobicContact CD-CG 4.05Å; K212-E215 WeakPolarHBondContact CD-OE1 3.33Å; K212-E215 WeakPolarHBondContact CD-OE2 3.34Å; K212-E215 IonicContact NZ-OE1 3.95Å; K212-E215 PolarHBondContact NZ-OE1 2.81Å; K212-E215 IonicContact NZ-OE2 2.67Å; K212-E215 PolarHBondContact O-N 3.44Å; K212-E215 VanDerWaalsContact O-N 3.16Å
213K93.8Very high97.5Very high140 Ų14032 Ų3261%0.60916%0.161SC*.THydrogen-bonded Turntrans-63.6-21-172.5-64.2-178.5-178176.80113.9E643K213-E643 IonicContact NZ-OE1 3.05Å; K213-E643 PolarHBondContact NZ-OE1 3.34Å
214D95.8Very high97.2Very high30 Ų3032 Ų3216%0.1616%0.161CC..THydrogen-bonded Turntrans-105.8-4.4-178.662.7-25.2000113.4K212 R598 L599 T601K212-D214 PolarHBondContact O-N 2.83Å; K212-D214 VanDerWaalsContact O-N 3.15Å; D214-R598 HydrophobicContact CB-CG 4.47Å; D214-R598 CarbonylContact O-C 3.54Å; D214-R598 VanDerWaalsContact O-CA 3.26Å; D214-R598 WeakPolarHBondContact O-CA 3.34Å; D214-R598 IonicContact OD2-CZ 3.4Å; D214-R598 VanDerWaalsContact OD2-CZ 3.24Å; D214-R598 IonicContact OD2-NE 2.77Å; D214-R598 PolarHBondContact OD2-NE 3.42Å; D214-R598 IonicContact OD2-NH2 3.05Å; D214-R598 PolarHBondContact OD2-NH2 3.07Å; D214-L599 PolarHBondContact O-N 3.04Å; D214-T601 HydrophobicContact CB-CG2 4.11Å
215E98.2Very high96.4Very high11 Ų1132.9 Ų32.95%0.05117%0.166CC..EExtended strand (participates in β ladder)trans-108.1140.3178.1-72.9-179.1-164.800112T210 K212 V543 K596 I597 R598T210-E215 WeakPolarHBondContact CB-O 3.37Å; T210-E215 HydrophobicContact CG2-CB 4.3Å; T210-E215 WeakPolarHBondContact CG2-O 3.13Å; T210-E215 PolarHBondContact N-O 2.91Å; T210-E215 WeakPolarHBondContact OG1-CB 3.27Å; T210-E215 PolarHBondContact OG1-O 3.05Å; K212-E215 HydrophobicContact CB-CB 4.04Å; K212-E215 HydrophobicContact CB-CG 4.21Å; K212-E215 HydrophobicContact CD-CG 4.05Å; K212-E215 WeakPolarHBondContact CD-OE1 3.33Å; K212-E215 WeakPolarHBondContact CD-OE2 3.34Å; K212-E215 IonicContact NZ-OE1 3.95Å; K212-E215 PolarHBondContact NZ-OE1 2.81Å; K212-E215 IonicContact NZ-OE2 2.67Å; K212-E215 PolarHBondContact O-N 3.44Å; K212-E215 VanDerWaalsContact O-N 3.16Å; E215-V543 HydrophobicContact CG-CG2 4.48Å; E215-K596 HydrophobicContact CB-CD 4.09Å; E215-K596 HydrophobicContact CB-CG 4.42Å; E215-K596 HydrophobicContact CG-CD 4.2Å; E215-K596 WeakPolarHBondContact OE2-CD 3.32Å; E215-K596 IonicContact OE2-NZ 3.11Å; E215-K596 PolarHBondContact OE2-NZ 3.2Å; E215-I597 CarbonylContact C-O 3.51Å; E215-I597 VanDerWaalsContact CA-O 3.29Å; E215-I597 WeakPolarHBondContact CA-O 3.42Å; E215-R598 HydrophobicContact CG-CB 4.17Å; E215-R598 HydrophobicContact CG-CG 4.33Å
216F98.7Very high95.1Very high2 Ų232.7 Ų32.71%0.00917%0.166CC..EExtended strand (participates in β ladder)trans-133.8137.3-178.4-55-89.8000110.3N155 V156 T208 E209 K596 I597 L599 V638 R639N155-F216 HydrophobicContact CB-CE1 4.14Å; V156-F216 HydrophobicContact CG2-CD1 3.56Å; V156-F216 HydrophobicContact CG2-CE1 3.88Å; T208-F216 CarbonylContact O-C 3.45Å; T208-F216 WeakPolarHBondContact O-CA 3.16Å; E209-F216 HydrophobicContact CG-CD1 4.42Å; E209-F216 HydrophobicContact CG-CE1 4.22Å; F216-K596 WeakPolarHBondContact O-CA 3.15Å; F216-K596 VanDerWaalsContact O-CG 3.31Å; F216-K596 WeakPolarHBondContact O-CG 3.29Å; F216-I597 HydrophobicContact CB-CG1 4Å; F216-I597 PolarHBondContact N-O 2.86Å; F216-I597 PolarHBondContact O-N 3.31Å; F216-L599 HydrophobicContact CE2-CB 4.34Å; F216-V638 HydrophobicContact CB-CG1 4.08Å; F216-V638 HydrophobicContact CD1-CB 3.98Å; F216-V638 HydrophobicContact CD1-CG1 3.72Å; F216-V638 HydrophobicContact CD2-CB 3.84Å; F216-V638 HydrophobicContact CD2-CG1 3.97Å; F216-V638 HydrophobicContact CD2-CG2 3.88Å; F216-V638 HydrophobicContact CE1-CB 3.92Å; F216-V638 HydrophobicContact CE1-CG1 4.16Å; F216-V638 HydrophobicContact CE2-CB 3.8Å; F216-V638 HydrophobicContact CE2-CG1 4.4Å; F216-V638 HydrophobicContact CE2-CG2 3.89Å; F216-V638 HydrophobicContact CG-CB 3.95Å; F216-V638 HydrophobicContact CG-CG1 3.63Å; F216-V638 HydrophobicContact CG-CG2 4.41Å; F216-V638 HydrophobicContact CZ-CB 3.85Å; F216-V638 HydrophobicContact CZ-CG1 4.5Å; F216-V638 HydrophobicContact CZ-CG2 4.41Å; F216-R639 WeakPolarHBondContact CZ-O 3.47Å
217N98.5Very high93.6Very high65 Ų6532.6 Ų32.635%0.34817%0.166SC..EExtended strand (participates in β ladder)trans-79.8140.9168.4-58.9-48.2000108.6A207 T208A207-N217 CarbonylContact C-O 3.57Å; A207-N217 WeakPolarHBondContact CA-O 3.29Å; A207-N217 WeakPolarHBondContact CB-O 3.27Å; T208-N217 PolarHBondContact N-O 2.88Å; T208-N217 PolarHBondContact O-N 2.78Å
218V98.5Very high91.8Very high1 Ų133.9 Ų33.91%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-123.4134.1172.4-174.30000108.6K205 Y206 A207 Y595 I597K205-V218 HydrophobicContact CG-CG1 4.28Å; Y206-V218 WeakPolarHBondContact O-CA 3.28Å; A207-V218 HydrophobicContact CB-CG2 4.26Å; V218-Y595 HydrophobicContact CB-CD1 4.39Å; V218-Y595 HydrophobicContact CB-CD2 4.01Å; V218-Y595 HydrophobicContact CB-CE1 4.01Å; V218-Y595 HydrophobicContact CB-CE2 3.56Å; V218-Y595 HydrophobicContact CB-CG 4.4Å; V218-Y595 HydrophobicContact CG1-CE1 3.86Å; V218-Y595 HydrophobicContact CG1-CE2 3.94Å; V218-Y595 VanDerWaalsContact CG1-CZ 3.44Å; V218-Y595 WeakPolarHBondContact CG1-OH 3.45Å; V218-Y595 HydrophobicContact CG2-CD2 4.38Å; V218-Y595 HydrophobicContact CG2-CE2 3.83Å; V218-Y595 PolarHBondContact N-O 2.65Å; V218-Y595 PolarHBondContact O-N 2.9Å; V218-I597 HydrophobicContact CG2-CD1 3.93Å; V218-I597 HydrophobicContact CG2-CG1 3.92Å; V218-I597 HydrophobicContact CG2-CG2 4.3Å
219K97.9Very high90.1Very high25 Ų2540.4 Ų40.411%0.10920%0.196CC..EExtended strand (participates in β ladder)trans-124.5133.8178.4-177.5-179.1-78.3-147.20109.6D182 K205 Y206 E592 I593 N594D182-K219 IonicContact OD1-NZ 2.65Å; K205-K219 CarbonylContact C-O 3.38Å; K205-K219 VanDerWaalsContact CA-O 3.25Å; K205-K219 WeakPolarHBondContact CA-O 3.45Å; Y206-K219 HydrophobicContact CE1-CB 4.17Å; Y206-K219 HydrophobicContact CE1-CD 3.75Å; Y206-K219 HydrophobicContact CE1-CG 4.22Å; Y206-K219 PolarHBondContact N-O 2.85Å; Y206-K219 PolarHBondContact O-N 2.97Å; Y206-K219 WeakPolarHBondContact OH-CD 3.42Å; K219-E592 VanDerWaalsContact CD-CD 3.42Å; K219-E592 HydrophobicContact CD-CG 3.96Å; K219-E592 WeakPolarHBondContact CD-OE2 3.44Å; K219-E592 WeakPolarHBondContact CE-OE1 3.11Å; K219-E592 VanDerWaalsContact CE-OE2 3.26Å; K219-E592 WeakPolarHBondContact CE-OE2 3.44Å; K219-E592 HydrophobicContact CG-CG 3.66Å; K219-E592 IonicContact NZ-OE1 3.55Å; K219-E592 PolarHBondContact NZ-OE1 2.78Å; K219-E592 IonicContact NZ-OE2 3.69Å; K219-E592 PolarHBondContact NZ-OE2 3.49Å; K219-I593 CarbonylContact C-O 3.45Å; K219-I593 WeakPolarHBondContact CA-O 3.25Å; K219-N594 WeakPolarHBondContact CE-OD1 3.44Å
220L98Very high88.8Confident3 Ų341.1 Ų41.12%0.01621%0.205CC..EExtended strand (participates in β ladder)trans-126.9135.2174.8-174.6149.8000109.6R204 K205 V222 I532 E592 I593 T618 F633R204-L220 CarbonylContact O-C 3.54Å; R204-L220 VanDerWaalsContact O-CA 3.28Å; R204-L220 WeakPolarHBondContact O-CA 3.35Å; K205-L220 HydrophobicContact CB-CD1 4.36Å; K205-L220 HydrophobicContact CB-CG 4.38Å; K205-L220 HydrophobicContact CD-CD1 4.11Å; K205-L220 HydrophobicContact CG-CB 4.43Å; K205-L220 HydrophobicContact CG-CD1 4.35Å; L220-V222 HydrophobicContact CD2-CG2 4.02Å; L220-I532 HydrophobicContact CD1-CG2 4.29Å; L220-I532 HydrophobicContact CD2-CD1 3.51Å; L220-I532 HydrophobicContact CD2-CG1 4.46Å; L220-E592 CarbonylContact O-C 3.55Å; L220-E592 WeakPolarHBondContact O-CA 3.45Å; L220-I593 HydrophobicContact CB-CB 4.42Å; L220-I593 HydrophobicContact CD2-CD1 3.55Å; L220-I593 PolarHBondContact N-O 3.26Å; L220-I593 PolarHBondContact O-N 3.32Å; L220-T618 HydrophobicContact CD1-CG2 3.74Å; L220-F633 HydrophobicContact CD1-CD1 3.78Å; L220-F633 HydrophobicContact CD1-CD2 4.42Å; L220-F633 HydrophobicContact CD1-CE1 3.66Å; L220-F633 HydrophobicContact CD1-CE2 4.27Å; L220-F633 HydrophobicContact CD1-CG 4.16Å; L220-F633 HydrophobicContact CD1-CZ 3.91Å; L220-F633 HydrophobicContact CD2-CD1 4.41Å; L220-F633 HydrophobicContact CD2-CE1 3.52Å; L220-F633 HydrophobicContact CD2-CZ 3.65Å; L220-F633 HydrophobicContact CG-CD1 3.84Å; L220-F633 HydrophobicContact CG-CE1 3.42Å; L220-F633 VanDerWaalsContact CG-CE1 3.42Å; L220-F633 HydrophobicContact CG-CZ 3.95Å
221N98.4Very high88Confident0 Ų040 Ų400%020%0.199CC..EExtended strand (participates in β ladder)trans-123.3139.5177.7-61.2102.3000110.5Y188 R204 E590 I591 E592Y188-N221 HydrophobicContact CE1-CB 3.98Å; R204-N221 HydrophobicContact CB-CB 4.35Å; R204-N221 PolarHBondContact N-O 2.93Å; R204-N221 VanDerWaalsContact N-O 3.09Å; R204-N221 PolarHBondContact NE-OD1 3.12Å; R204-N221 VanDerWaalsContact NE-OD1 3.1Å; R204-N221 PolarHBondContact NH2-OD1 2.91Å; R204-N221 PolarHBondContact O-N 2.84Å; N221-E590 WeakPolarHBondContact CB-OE1 3.13Å; N221-E590 PolarHBondContact ND2-OE1 2.89Å; N221-I591 WeakPolarHBondContact CA-O 3.37Å; N221-E592 WeakPolarHBondContact ND2-CB 3.38Å; N221-E592 WeakPolarHBondContact ND2-CG 3.49Å; N221-E592 PolarHBondContact ND2-OE2 3.11Å
222V98Very high87.5Confident0 Ų033.4 Ų33.40%016%0.158CC..EExtended strand (participates in β ladder)trans-126.3118166.1-177.10000107.8L203 L220 V527 I532 L585 E590 I591 L620 F633L203-V222 HydrophobicContact CD2-CB 4.32Å; L203-V222 HydrophobicContact CD2-CG1 3.91Å; L203-V222 HydrophobicContact CD2-CG2 3.95Å; L220-V222 HydrophobicContact CD2-CG2 4.02Å; V222-V527 HydrophobicContact CG1-CG2 4.22Å; V222-I532 HydrophobicContact CG2-CD1 3.76Å; V222-I532 HydrophobicContact CG2-CG1 4.34Å; V222-L585 HydrophobicContact CB-CD1 4.14Å; V222-L585 HydrophobicContact CG1-CD1 3.67Å; V222-L585 VanDerWaalsContact O-CD1 3.31Å; V222-L585 WeakPolarHBondContact O-CD1 3.31Å; V222-E590 VanDerWaalsContact O-CA 3.3Å; V222-E590 WeakPolarHBondContact O-CA 3.33Å; V222-E590 WeakPolarHBondContact O-CG 3.43Å; V222-I591 HydrophobicContact CB-CG1 4.05Å; V222-I591 PolarHBondContact N-O 3.2Å; V222-I591 VanDerWaalsContact N-O 3.12Å; V222-I591 PolarHBondContact O-N 3.18Å; V222-L620 HydrophobicContact CG1-CD2 3.71Å; V222-L620 HydrophobicContact CG2-CD2 4.5Å; V222-F633 HydrophobicContact CG2-CE1 4.17Å; V222-F633 HydrophobicContact CG2-CZ 3.69Å
223R95.4Very high87.4Confident11 Ų1128.1 Ų28.14%0.04214%0.135CC..EExtended strand (participates in β ladder)trans-107.7127.7171.7-175.6-176.4-59.1151.74.7109Y184 Y188 I201 A202 L557 Q589 E590Y184-R223 PolarHBondContact O-NH2 3.17Å; Y188-R223 PolarHBondContact OH-NH2 2.79Å; I201-R223 WeakPolarHBondContact CA-O 3.24Å; A202-R223 HydrophobicContact CB-CB 4.09Å; A202-R223 PolarHBondContact N-O 3.5Å; A202-R223 PolarHBondContact O-N 3.1Å; R223-L557 VanDerWaalsContact CZ-CD1 3.47Å; R223-Q589 WeakPolarHBondContact CA-O 3.25Å; R223-E590 HydrophobicContact CB-CB 4.03Å; R223-E590 HydrophobicContact CB-CG 3.95Å; R223-E590 HydrophobicContact CG-CB 4.13Å; R223-E590 IonicContact CZ-OE2 3.11Å; R223-E590 IonicContact NE-OE2 2.98Å; R223-E590 PolarHBondContact NE-OE2 2.86Å; R223-E590 IonicContact NH2-OE1 3.69Å; R223-E590 IonicContact NH2-OE2 3.03Å; R223-E590 PolarHBondContact NH2-OE2 3.48Å
224G91.4Very high87.4Confident0 Ų021.4 Ų21.40%011%0.106CC..EExtended strand (participates in β ladder)trans-102.5126.9166.400000109.5T526 N588 Q589G224-T526 WeakPolarHBondContact CA-OG1 3.36Å; G224-N588 CarbonylContact O-C 3.58Å; G224-N588 WeakPolarHBondContact O-CA 3.34Å; G224-N588 PolarHBondContact O-N 3.11Å; G224-Q589 PolarHBondContact N-O 3.17Å; G224-Q589 PolarHBondContact O-N 2.68Å
225D81.3Confident87.4Confident22 Ų2220 Ų2012%0.11810%0.099CC..  trans-87.4-167.4167.8-159.8-8.9000109.6K196 D200 T526 Y586 G587 N588K196-D225 WeakPolarHBondContact CE-OD2 3.1Å; K196-D225 IonicContact NZ-OD1 3.89Å; K196-D225 IonicContact NZ-OD2 3.09Å; K196-D225 PolarHBondContact NZ-OD2 3.48Å; D200-D225 PolarHBondContact O-N 2.87Å; D225-T526 PolarHBondContact N-OG1 3.28Å; D225-T526 WeakPolarHBondContact O-CG2 3.34Å; D225-T526 PolarHBondContact O-OG1 3.4Å; D225-Y586 WeakPolarHBondContact O-CA 3.41Å; D225-G587 PolarHBondContact O-N 2.83Å; D225-N588 PolarHBondContact OD1-ND2 3.26Å; D225-N588 VanDerWaalsContact OD1-ND2 3.17Å; D225-N588 PolarHBondContact OD1-OD1 3.1Å
226S70.1Confident87.4Confident3 Ų319.5 Ų19.52%0.02110%0.096CC..  trans-112.5170.8177.555.10000111.4Y102 K196 T228Y102-S226 WeakPolarHBondContact CE1-OG 3.17Å; Y102-S226 VanDerWaalsContact OH-CB 3.28Å; Y102-S226 WeakPolarHBondContact OH-CB 3.34Å; Y102-S226 PolarHBondContact OH-OG 2.55Å; K196-S226 PolarHBondContact NZ-O 2.97Å; S226-T228 VanDerWaalsContact O-CG2 3.3Å; S226-T228 WeakPolarHBondContact O-CG2 3.25Å; S226-T228 PolarHBondContact O-N 2.83Å
227L66.4Low87.4Confident9 Ų919.4 Ų19.45%0.04710%0.096CC..  trans-16.4121.5179.6-68.5173.6000114.6V232 V277 Y282 L283 T523 L524L227-V232 HydrophobicContact CD2-CB 3.6Å; L227-V232 HydrophobicContact CD2-CG2 3.18Å; L227-V277 HydrophobicContact CD1-CG1 3.86Å; L227-V277 HydrophobicContact CD1-CG2 4.08Å; L227-Y282 HydrophobicContact CB-CD1 4.34Å; L227-Y282 HydrophobicContact CB-CG 4.28Å; L227-Y282 WeakPolarHBondContact O-CD1 3.38Å; L227-Y282 VanDerWaalsContact O-CE1 3.31Å; L227-Y282 WeakPolarHBondContact O-CE1 3.38Å; L227-L283 HydrophobicContact CD1-CB 3.81Å; L227-T523 WeakPolarHBondContact CD2-O 3.21Å; L227-L524 HydrophobicContact CD1-CD2 3.5Å; L227-L524 HydrophobicContact CD2-CD2 4.22Å; L227-L524 HydrophobicContact CG-CD2 3.66Å
228T62.4Low87.4Confident27 Ų2716.3 Ų16.317%0.1668%0.08CC..  trans-112.4156.8-174.164.70000110.6K196 D200 S226 G231K196-T228 HydrophobicContact CD-CG2 3.84Å; D200-T228 HydrophobicContact CB-CG2 3.91Å; D200-T228 VanDerWaalsContact OD1-CB 3.3Å; D200-T228 WeakPolarHBondContact OD1-CB 3.35Å; D200-T228 WeakPolarHBondContact OD1-CG2 3.3Å; D200-T228 PolarHBondContact OD1-OG1 2.89Å; D200-T228 WeakPolarHBondContact OD2-CG2 3.2Å; D200-T228 PolarHBondContact OD2-OG1 3.21Å; S226-T228 VanDerWaalsContact O-CG2 3.3Å; S226-T228 WeakPolarHBondContact O-CG2 3.25Å; S226-T228 PolarHBondContact O-N 2.83Å; T228-G231 WeakPolarHBondContact O-CA 3.33Å; T228-G231 PolarHBondContact O-N 2.94Å
229R62.2Low87.3Confident160 Ų16016.3 Ų16.360%0.6048%0.079SC*.THydrogen-bonded Turntrans-63.9137.8174-76.5-176-177.6-103.9-2.2108.9Y282R229-Y282 HydrophobicContact CG-CE1 3.95Å
230P71.3Confident87.3Confident66 Ų6615.1 Ų15.143%0.4297%0.074SC..THydrogen-bonded Turncis-82.2-8.217.229.1-33.4000115.8N342 G343 R344P230-N342 WeakPolarHBondContact CB-O 3.11Å; P230-N342 WeakPolarHBondContact CG-O 3.46Å; P230-G343 WeakPolarHBondContact CG-O 3.45Å; P230-R344 HydrophobicContact CB-CG 3.89Å; P230-R344 HydrophobicContact CG-CG 4.27Å; P230-R344 WeakPolarHBondContact O-CG 3.44Å; P230-R344 PolarHBondContact O-NH1 3.11Å
231G80Confident87.2Confident5 Ų515 Ų155%0.0527%0.073CC..  trans110.8-177.7175.500000113T228 Y282 R344 R345T228-G231 WeakPolarHBondContact O-CA 3.33Å; T228-G231 PolarHBondContact O-N 2.94Å; G231-Y282 CarbonylContact C-O 3.54Å; G231-Y282 VanDerWaalsContact CA-O 3.28Å; G231-Y282 WeakPolarHBondContact CA-O 3.26Å; G231-R344 VanDerWaalsContact O-CA 3.31Å; G231-R344 WeakPolarHBondContact O-CA 3.39Å; G231-R344 VanDerWaalsContact O-CB 3.28Å; G231-R344 WeakPolarHBondContact O-CB 3.48Å; G231-R345 PolarHBondContact O-N 2.92Å; G231-R345 VanDerWaalsContact O-N 3.12Å
232V86Confident87Confident10 Ų1015.9 Ų15.96%0.0618%0.081CC..EExtended strand (participates in β ladder)trans-114.2135.9178.1172.10000110.8L227 V234 Y282 L283 R284 R344 R345 F347 T523L227-V232 HydrophobicContact CD2-CB 3.6Å; L227-V232 HydrophobicContact CD2-CG2 3.18Å; V232-V234 HydrophobicContact CG1-CG2 3.92Å; V232-Y282 PolarHBondContact N-O 3.13Å; V232-L283 HydrophobicContact CB-CD1 4.24Å; V232-L283 HydrophobicContact CG1-CD1 4.09Å; V232-L283 WeakPolarHBondContact O-CA 3.4Å; V232-R284 PolarHBondContact O-N 2.76Å; V232-R344 PolarHBondContact O-NH2 2.99Å; V232-R345 WeakPolarHBondContact CA-O 3.37Å; V232-R345 HydrophobicContact CG2-CB 4.18Å; V232-F347 HydrophobicContact CG1-CD2 3.41Å; V232-F347 VanDerWaalsContact CG1-CD2 3.41Å; V232-F347 HydrophobicContact CG1-CE2 3.5Å; V232-F347 VanDerWaalsContact CG1-CE2 3.5Å; V232-F347 HydrophobicContact CG2-CE2 4.13Å; V232-T523 HydrophobicContact CG1-CG2 3.87Å
233D92.1Very high86.8Confident0 Ų016.7 Ų16.70%09%0.087CC..EExtended strand (participates in β ladder)trans-105.9126.3168.4-68.9-23.2000109.7R284 L300 L337 R344 R345 F347D233-R284 WeakPolarHBondContact CA-O 3.42Å; D233-R284 WeakPolarHBondContact OD1-CB 3.42Å; D233-R284 IonicContact OD1-CZ 3.5Å; D233-R284 IonicContact OD1-NE 2.68Å; D233-R284 PolarHBondContact OD1-NE 3.29Å; D233-R284 IonicContact OD1-NH2 2.97Å; D233-R284 PolarHBondContact OD1-NH2 3.28Å; D233-R284 VanDerWaalsContact OD1-NH2 3.11Å; D233-R284 IonicContact OD2-CZ 2.65Å; D233-R284 IonicContact OD2-NE 3.51Å; D233-R284 IonicContact OD2-NH2 2.84Å; D233-R284 PolarHBondContact OD2-NH2 2.69Å; D233-L300 HydrophobicContact CB-CD1 4.05Å; D233-L300 HydrophobicContact CB-CD2 3.98Å; D233-L337 HydrophobicContact CB-CD2 3.94Å; D233-R344 WeakPolarHBondContact OD1-CD 3.39Å; D233-R344 IonicContact OD1-CZ 3.84Å; D233-R344 IonicContact OD1-NE 3.63Å; D233-R344 PolarHBondContact OD1-NE 3.47Å; D233-R344 IonicContact OD1-NH2 3.64Å; D233-R344 IonicContact OD2-NE 3.09Å; D233-R345 PolarHBondContact N-O 3.15Å; D233-F347 PolarHBondContact O-N 2.54Å
234V94.3Very high86.7Confident0 Ų016.1 Ų16.10%09%0.085CC..EExtended strand (participates in β ladder)trans-116.1123.1175.7176.40000108.9V232 F236 L283 R284 I285 G286 F347 F349 T523V232-V234 HydrophobicContact CG1-CG2 3.92Å; V234-F236 HydrophobicContact CG1-CD2 4.17Å; V234-F236 HydrophobicContact CG1-CE1 4.49Å; V234-F236 HydrophobicContact CG1-CE2 3.78Å; V234-F236 HydrophobicContact CG1-CZ 3.95Å; V234-L283 HydrophobicContact CB-CD1 4.46Å; V234-L283 HydrophobicContact CG2-CD1 3.7Å; V234-R284 PolarHBondContact N-O 3.26Å; V234-I285 HydrophobicContact CB-CG1 4.48Å; V234-I285 CarbonylContact O-C 3.53Å; V234-I285 WeakPolarHBondContact O-CA 3.49Å; V234-G286 PolarHBondContact O-N 3.15Å; V234-F347 HydrophobicContact CG2-CB 4.36Å; V234-F349 HydrophobicContact CB-CE2 4.49Å; V234-F349 HydrophobicContact CG1-CD2 3.29Å; V234-F349 HydrophobicContact CG1-CE2 3.45Å; V234-F349 VanDerWaalsContact CG1-CE2 3.45Å; V234-F349 HydrophobicContact CG1-CG 4.42Å; V234-F349 HydrophobicContact CG2-CE2 4.18Å; V234-T523 HydrophobicContact CG2-CG2 3.85Å
235M97.2Very high86.9Confident0 Ų018.3 Ų18.30%010%0.098CC..EExtended strand (participates in β ladder)trans-111.4115.1171.9-172.760.356.700110V237 S287 V288 L300 A333 R336 L337 F347 L348 F349M235-V237 HydrophobicContact CG-CG2 4.44Å; M235-S287 PolarHBondContact SD-N 2.89Å; M235-S287 VanDerWaalsContact SD-N 3.36Å; M235-V288 HydrophobicContact CG-CG2 4.48Å; M235-V288 HydrophobicContact SD-CG2 3.99Å; M235-L300 HydrophobicContact CE-CD2 3.88Å; M235-L300 HydrophobicContact CE-CG 3.95Å; M235-A333 HydrophobicContact CG-CB 3.65Å; M235-R336 HydrophobicContact CE-CB 3.54Å; M235-R336 HydrophobicContact CE-CG 4.48Å; M235-L337 HydrophobicContact CB-CD1 3.85Å; M235-L337 HydrophobicContact CB-CD2 3.83Å; M235-L337 HydrophobicContact CB-CG 3.75Å; M235-L337 HydrophobicContact CG-CG 4.4Å; M235-F347 PolarHBondContact N-O 2.79Å; M235-L348 WeakPolarHBondContact O-CA 3.08Å; M235-F349 PolarHBondContact O-N 3.21Å
236F97.8Very high87.5Confident0 Ų021 Ų210%011%0.108CC..EExtended strand (participates in β ladder)trans-81.8125.7171.6-70.3-77.6000110.4V234 L238 L266 L269 I270 F273 I285 G286 S287 V288 F349 W519V234-F236 HydrophobicContact CG1-CD2 4.17Å; V234-F236 HydrophobicContact CG1-CE1 4.49Å; V234-F236 HydrophobicContact CG1-CE2 3.78Å; V234-F236 HydrophobicContact CG1-CZ 3.95Å; F236-L238 HydrophobicContact CB-CD1 4.18Å; F236-L238 HydrophobicContact CB-CD2 3.97Å; F236-L238 HydrophobicContact CB-CG 3.94Å; F236-L238 HydrophobicContact CD1-CD2 4.5Å; F236-L266 HydrophobicContact CD1-CD1 3.82Å; F236-L266 HydrophobicContact CD2-CD1 4.14Å; F236-L266 HydrophobicContact CE1-CD1 3.8Å; F236-L266 HydrophobicContact CE2-CD1 4.11Å; F236-L266 HydrophobicContact CG-CD1 4Å; F236-L266 HydrophobicContact CZ-CD1 3.95Å; F236-L269 HydrophobicContact CE1-CD2 3.67Å; F236-L269 HydrophobicContact CZ-CD2 3.58Å; F236-L269 HydrophobicContact CZ-CG 4.43Å; F236-I270 HydrophobicContact CE2-CD1 4.15Å; F236-F273 HydrophobicContact CZ-CE2 4.42Å; F236-I285 HydrophobicContact CD2-CG2 3.58Å; F236-I285 HydrophobicContact CE2-CG2 3.47Å; F236-I285 VanDerWaalsContact CE2-CG2 3.47Å; F236-G286 PolarHBondContact N-O 2.83Å; F236-S287 CarbonylContact O-C 3.53Å; F236-S287 WeakPolarHBondContact O-CA 3.46Å; F236-V288 PolarHBondContact O-N 3.49Å; F236-F349 CarbonylContact C-O 3.52Å; F236-F349 HydrophobicContact CD1-CB 3.71Å; F236-F349 HydrophobicContact CD1-CD2 4.08Å; F236-F349 HydrophobicContact CD1-CG 4.38Å; F236-F349 HydrophobicContact CE1-CB 3.91Å; F236-F349 AromaticContact CE1-CD2 3.52Å; F236-F349 HydrophobicContact CE1-CD2 3.52Å; F236-F349 HydrophobicContact CE1-CE2 4.47Å; F236-F349 HydrophobicContact CE1-CG 4.12Å; F236-F349 AromaticContact CZ-CD2 3.89Å; F236-F349 HydrophobicContact CZ-CD2 3.89Å; F236-W519 HydrophobicContact CE1-CE3 4.4Å; F236-W519 HydrophobicContact CE1-CZ3 4.38Å
237V98.1Very high88.7Confident0 Ų025.3 Ų25.30%014%0.135CC..EExtended strand (participates in β ladder)trans-111106.2173-177.40000107.6M235 V288 F290 A333 L348 F349 L350 L351M235-V237 HydrophobicContact CG-CG2 4.44Å; V237-V288 CarbonylContact C-O 3.53Å; V237-V288 WeakPolarHBondContact CA-O 3.46Å; V237-V288 HydrophobicContact CG2-CB 4.49Å; V237-F290 HydrophobicContact CG1-CD1 3.65Å; V237-F290 HydrophobicContact CG1-CE1 3.7Å; V237-A333 HydrophobicContact CG2-CB 3.48Å; V237-A333 VanDerWaalsContact CG2-CB 3.48Å; V237-L348 HydrophobicContact CB-CD2 4.17Å; V237-L348 HydrophobicContact CG2-CD1 3.8Å; V237-L348 HydrophobicContact CG2-CD2 3.8Å; V237-L348 HydrophobicContact CG2-CG 3.74Å; V237-F349 PolarHBondContact N-O 2.96Å; V237-L350 HydrophobicContact CB-CD1 4.04Å; V237-L350 HydrophobicContact CG1-CD1 3.79Å; V237-L350 WeakPolarHBondContact O-CA 3.17Å; V237-L351 PolarHBondContact O-N 3.47Å
238L98Very high89.9Confident1 Ų128.9 Ų28.91%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-114.8118-161.9-57.4171.7000110.3F236 L266 V288 V289 F290 Y314 L351F236-L238 HydrophobicContact CB-CD1 4.18Å; F236-L238 HydrophobicContact CB-CD2 3.97Å; F236-L238 HydrophobicContact CB-CG 3.94Å; F236-L238 HydrophobicContact CD1-CD2 4.5Å; L238-L266 HydrophobicContact CD1-CD2 3.57Å; L238-L266 HydrophobicContact CD2-CD2 4.34Å; L238-V288 PolarHBondContact N-O 2.78Å; L238-V289 HydrophobicContact CB-CG2 4.49Å; L238-V289 HydrophobicContact CD1-CG2 4.38Å; L238-V289 WeakPolarHBondContact O-CA 3.2Å; L238-F290 VanDerWaalsContact C-CE1 3.48Å; L238-F290 VanDerWaalsContact O-CD1 3.29Å; L238-F290 WeakPolarHBondContact O-CD1 3.44Å; L238-F290 PolarHBondContact O-N 3.31Å; L238-Y314 HydrophobicContact CB-CD2 3.9Å; L238-Y314 HydrophobicContact CB-CE1 4.41Å; L238-Y314 HydrophobicContact CB-CE2 3.61Å; L238-Y314 HydrophobicContact CB-CG 4.43Å; L238-Y314 HydrophobicContact CD1-CD1 3.91Å; L238-Y314 HydrophobicContact CD1-CD2 4.03Å; L238-Y314 HydrophobicContact CD1-CE1 4.34Å; L238-Y314 HydrophobicContact CD1-CE2 4.43Å; L238-Y314 HydrophobicContact CD1-CG 3.76Å; L238-L351 HydrophobicContact CD2-CB 4.02Å; L238-L351 HydrophobicContact CD2-CD2 4.05Å
239D97Very high91.2Very high0 Ų032.7 Ų32.70%018%0.177CC..EExtended strand (participates in β ladder)trans-69.5133.2176.8-159.5-31.3000111.3S241 M244 F290 Y314 L351 T352D239-S241 WeakPolarHBondContact OD1-CB 3.31Å; D239-S241 PolarHBondContact OD1-N 3.38Å; D239-S241 PolarHBondContact OD1-OG 2.76Å; D239-M244 HydrophobicContact CB-CG 4.36Å; D239-M244 HydrophobicContact CB-SD 4.22Å; D239-F290 HydrophobicContact CB-CE1 3.93Å; D239-F290 HydrophobicContact CB-CE2 4.19Å; D239-F290 HydrophobicContact CB-CZ 3.56Å; D239-Y314 WeakPolarHBondContact O-CE2 3.43Å; D239-Y314 PolarHBondContact O-OH 2.9Å; D239-L351 WeakPolarHBondContact CB-O 3.45Å; D239-L351 PolarHBondContact N-O 2.97Å; D239-T352 WeakPolarHBondContact OD2-CB 3.25Å; D239-T352 PolarHBondContact OD2-OG1 2.67Å
240N97.2Very high92.3Very high0 Ų029.4 Ų29.40%017%0.168CC..  trans-139.729.9178.4-154.763.5000111.3K259 V289 F290 I295 Y314 A317 S318 T319N240-K259 VanDerWaalsContact OD1-CE 3.26Å; N240-K259 WeakPolarHBondContact OD1-CE 3.3Å; N240-K259 PolarHBondContact OD1-NZ 3.39Å; N240-V289 HydrophobicContact CB-CG1 3.53Å; N240-F290 CarbonylContact C-O 3.15Å; N240-F290 WeakPolarHBondContact CA-O 3.46Å; N240-F290 WeakPolarHBondContact CB-O 3.38Å; N240-F290 PolarHBondContact N-O 2.88Å; N240-I295 HydrophobicContact CB-CD1 3.91Å; N240-Y314 HydrophobicContact CB-CE2 4.32Å; N240-A317 WeakPolarHBondContact ND2-CB 3.36Å; N240-A317 PolarHBondContact ND2-O 3.3Å; N240-S318 PolarHBondContact ND2-O 3Å; N240-T319 WeakPolarHBondContact OD1-CG2 3.26Å
241S95.7Very high93.2Very high0 Ų027.2 Ų27.20%015%0.152CC..SBendtrans-65.3165.4168.8610000111.9D239 S243 M244 Q323 T324D239-S241 WeakPolarHBondContact OD1-CB 3.31Å; D239-S241 PolarHBondContact OD1-N 3.38Å; D239-S241 PolarHBondContact OD1-OG 2.76Å; S241-S243 PolarHBondContact O-N 3.33Å; S241-S243 PolarHBondContact OG-OG 3.25Å; S241-S243 VanDerWaalsContact OG-OG 3.09Å; S241-M244 WeakPolarHBondContact O-CB 3.41Å; S241-M244 PolarHBondContact O-N 2.97Å; S241-Q323 WeakPolarHBondContact CB-O 3.47Å; S241-T324 WeakPolarHBondContact CB-OG1 3.38Å; S241-T324 PolarHBondContact OG-OG1 2.96Å
242A95.2Very high93.7Very high19 Ų1930.2 Ų30.216%0.15716%0.163CC..G310 helixtrans-61.9-31.5-178.500000112.9M244 T245 F246 T319 H322A242-M244 PolarHBondContact O-N 3.47Å; A242-T245 PolarHBondContact O-N 2.83Å; A242-T245 VanDerWaalsContact O-N 3.11Å; A242-T245 PolarHBondContact O-OG1 2.81Å; A242-F246 HydrophobicContact CB-CE1 3.89Å; A242-F246 HydrophobicContact CB-CZ 4.22Å; A242-F246 WeakPolarHBondContact O-CD1 3.2Å; A242-F246 WeakPolarHBondContact O-CE1 3.41Å; A242-T319 WeakPolarHBondContact CA-O 3.18Å; A242-H322 VanDerWaalsContact CB-O 3.32Å; A242-H322 WeakPolarHBondContact CB-O 3.37Å; A242-H322 PolarHBondContact N-O 2.86Å
243S93Very high93.9Very high17 Ų1729.9 Ų29.912%0.11916%0.161CC..G310 helixtrans-65-21179.651.70000113.4S241 T245 F246 D353S241-S243 PolarHBondContact O-N 3.33Å; S241-S243 PolarHBondContact OG-OG 3.25Å; S241-S243 VanDerWaalsContact OG-OG 3.09Å; S243-T245 PolarHBondContact O-N 2.95Å; S243-F246 PolarHBondContact O-N 2.79Å; S243-D353 WeakPolarHBondContact CB-OD2 3.13Å; S243-D353 PolarHBondContact OG-OD2 2.95Å
244M94.9Very high93.6Very high0 Ų032.4 Ų32.40%019%0.187CC..G310 helixtrans-65.3-17.4174.6-63.3-63.9-71.800113.3D239 S241 A242 R258 K259 S262 D353 M464D239-M244 HydrophobicContact CB-CG 4.36Å; D239-M244 HydrophobicContact CB-SD 4.22Å; S241-M244 WeakPolarHBondContact O-CB 3.41Å; S241-M244 PolarHBondContact O-N 2.97Å; A242-M244 PolarHBondContact O-N 3.47Å; M244-R258 HydrophobicContact CE-CB 3.8Å; M244-R258 PolarHBondContact O-N 2.88Å; M244-R258 HydrophobicContact SD-CB 3.92Å; M244-K259 HydrophobicContact CB-CB 4.1Å; M244-K259 VanDerWaalsContact O-CB 3.29Å; M244-K259 WeakPolarHBondContact O-CB 3.25Å; M244-K259 PolarHBondContact O-N 3.19Å; M244-S262 WeakPolarHBondContact CE-OG 3.32Å; M244-D353 HydrophobicContact SD-CB 4.22Å; M244-M464 HydrophobicContact CE-SD 4.05Å
245T95.8Very high93.4Very high45 Ų4535.1 Ų35.128%0.27622%0.215SC..G310 helixtrans-121.213.517853.30000113.7A242 S243 L257 K259 T319A242-T245 PolarHBondContact O-N 2.83Å; A242-T245 VanDerWaalsContact O-N 3.11Å; A242-T245 PolarHBondContact O-OG1 2.81Å; S243-T245 PolarHBondContact O-N 2.95Å; T245-L257 HydrophobicContact CG2-CD1 4.46Å; T245-K259 HydrophobicContact CG2-CB 3.7Å; T245-K259 HydrophobicContact CG2-CG 4.07Å; T245-T319 HydrophobicContact CG2-CG2 3.94Å; T245-T319 WeakPolarHBondContact CG2-OG1 3.29Å; T245-T319 PolarHBondContact OG1-OG1 2.86Å
246F93.4Very high93.2Very high78 Ų7839.4 Ų39.434%0.34223%0.231SC..  trans-64.7140.8172-75.30.3000111.1A242 S243 Y251 L257A242-F246 HydrophobicContact CB-CE1 3.89Å; A242-F246 HydrophobicContact CB-CZ 4.22Å; A242-F246 WeakPolarHBondContact O-CD1 3.2Å; A242-F246 WeakPolarHBondContact O-CE1 3.41Å; S243-F246 PolarHBondContact O-N 2.79Å; F246-Y251 HydrophobicContact CB-CD1 4.06Å; F246-Y251 HydrophobicContact CB-CD2 3.88Å; F246-Y251 HydrophobicContact CB-CG 3.6Å; F246-Y251 AromaticContact CD2-CD1 3.75Å; F246-Y251 HydrophobicContact CD2-CD1 3.75Å; F246-Y251 HydrophobicContact CD2-CD2 4.17Å; F246-Y251 AromaticContact CD2-CE1 3.62Å; F246-Y251 HydrophobicContact CD2-CE1 3.62Å; F246-Y251 HydrophobicContact CD2-CE2 4.06Å; F246-Y251 HydrophobicContact CD2-CG 4.02Å; F246-Y251 AromaticContact CD2-CZ 3.76Å; F246-Y251 HydrophobicContact CE2-CE1 4.25Å; F246-Y251 HydrophobicContact CG-CD1 4.4Å; F246-Y251 HydrophobicContact CG-CG 4.35Å; F246-L257 WeakPolarHBondContact O-CD2 3.32Å
247T94.2Very high93.1Very high95 Ų9541.3 Ų41.358%0.58324%0.241SC*.  trans-100.6-9.4-167.457.60000113.3K252 L257T247-K252 WeakPolarHBondContact O-CE 3.46Å; T247-K252 PolarHBondContact O-NZ 3.07Å; T247-L257 HydrophobicContact CG2-CD2 4.26Å
248Q91.7Very high92.9Very high84 Ų8441.3 Ų41.339%0.39324%0.241SC..SBendtrans-67.3146.4176.3-51.384.4-33.300110E250 Y251Q248-E250 VanDerWaalsContact C-N 3.29Å; Q248-E250 WeakPolarHBondContact CB-OE1 3.48Å; Q248-E250 WeakPolarHBondContact CB-OE2 3.46Å; Q248-E250 PolarHBondContact O-N 3.06Å; Q248-Y251 HydrophobicContact CB-CD2 3.92Å; Q248-Y251 HydrophobicContact CB-CE2 4.3Å; Q248-Y251 PolarHBondContact O-N 2.85Å
249P89.9Confident92.8Very high106 Ų10641.8 Ų41.869%0.68824%0.243SC*.G310 helixtrans-54.5-38.9-171.7-27.836.4000114.8Y251 K252P249-Y251 PolarHBondContact O-N 2.84Å; P249-K252 PolarHBondContact O-N 2.87Å; P249-K252 VanDerWaalsContact O-N 3.08Å
250E86.6Confident92.7Very high92 Ų9245 Ų4543%0.4326%0.26SS..G310 helixtrans-64.5-19.4179.365.3-82.4-168.200113.5Q248 R258 Y467Q248-E250 VanDerWaalsContact C-N 3.29Å; Q248-E250 WeakPolarHBondContact CB-OE1 3.48Å; Q248-E250 WeakPolarHBondContact CB-OE2 3.46Å; Q248-E250 PolarHBondContact O-N 3.06Å; E250-R258 PolarHBondContact O-NH2 3.15Å; E250-Y467 HydrophobicContact CG-CD1 4.27Å; E250-Y467 HydrophobicContact CG-CE1 4.02Å
251Y89.7Confident92.5Very high20 Ų2045 Ų458%0.07826%0.261CS..G310 helixtrans-96.38.4175.7-57.2-90.1000114.3F246 Q248 P249 R258 Y467F246-Y251 HydrophobicContact CB-CD1 4.06Å; F246-Y251 HydrophobicContact CB-CD2 3.88Å; F246-Y251 HydrophobicContact CB-CG 3.6Å; F246-Y251 AromaticContact CD2-CD1 3.75Å; F246-Y251 HydrophobicContact CD2-CD1 3.75Å; F246-Y251 HydrophobicContact CD2-CD2 4.17Å; F246-Y251 AromaticContact CD2-CE1 3.62Å; F246-Y251 HydrophobicContact CD2-CE1 3.62Å; F246-Y251 HydrophobicContact CD2-CE2 4.06Å; F246-Y251 HydrophobicContact CD2-CG 4.02Å; F246-Y251 AromaticContact CD2-CZ 3.76Å; F246-Y251 HydrophobicContact CE2-CE1 4.25Å; F246-Y251 HydrophobicContact CG-CD1 4.4Å; F246-Y251 HydrophobicContact CG-CG 4.35Å; Q248-Y251 HydrophobicContact CB-CD2 3.92Å; Q248-Y251 HydrophobicContact CB-CE2 4.3Å; Q248-Y251 PolarHBondContact O-N 2.85Å; P249-Y251 PolarHBondContact O-N 2.84Å; Y251-R258 VanDerWaalsContact O-CD 3.3Å; Y251-R258 WeakPolarHBondContact O-CD 3.31Å; Y251-R258 VanDerWaalsContact O-CG 3.27Å; Y251-R258 WeakPolarHBondContact O-CG 3.43Å; Y251-R258 PolarHBondContact O-NE 3.5Å; Y251-R258 VanDerWaalsContact O-NE 3.1Å; Y251-Y467 HydrophobicContact CD1-CD1 4.41Å; Y251-Y467 AromaticContact CE1-CD1 3.57Å; Y251-Y467 HydrophobicContact CE1-CD1 3.57Å; Y251-Y467 HydrophobicContact CE1-CE1 4.21Å; Y251-Y467 HydrophobicContact CE2-CD1 4.19Å; Y251-Y467 HydrophobicContact CE2-CE1 4.13Å; Y251-Y467 AromaticContact CZ-CD1 3.45Å; Y251-Y467 VanDerWaalsContact CZ-CD1 3.45Å; Y251-Y467 AromaticContact CZ-CE1 3.6Å; Y251-Y467 WeakPolarHBondContact OH-CD1 3.44Å; Y251-Y467 VanDerWaalsContact OH-CE1 3.23Å; Y251-Y467 WeakPolarHBondContact OH-CE1 3.34Å
252K90.8Very high92.4Very high67 Ų6745 Ų4529%0.29126%0.261SS..EExtended strand (participates in β ladder)trans-112.5150.1-178-73.4169.8162167.60111.6T247 P249 G255 R256T247-K252 WeakPolarHBondContact O-CE 3.46Å; T247-K252 PolarHBondContact O-NZ 3.07Å; P249-K252 PolarHBondContact O-N 2.87Å; P249-K252 VanDerWaalsContact O-N 3.08Å; K252-G255 WeakPolarHBondContact CD-O 3.38Å; K252-R256 CarbonylContact C-O 3.49Å; K252-R256 WeakPolarHBondContact CA-O 3.29Å; K252-R256 VanDerWaalsContact CB-O 3.27Å; K252-R256 WeakPolarHBondContact CB-O 3.13Å; K252-R256 WeakPolarHBondContact CG-O 3.33Å
253I88.9Confident92.4Very high3 Ų344.3 Ų44.32%0.01525%0.254CS..EExtended strand (participates in β ladder)trans-111.3116.1171.2-57-59.6000107.6G255 R256 R258 V261 M464 A506 L509I253-G255 PolarHBondContact O-N 3.03Å; I253-R256 PolarHBondContact N-O 2.85Å; I253-R256 PolarHBondContact O-N 3.39Å; I253-R258 HydrophobicContact CG1-CG 4.07Å; I253-V261 HydrophobicContact CB-CG2 4.42Å; I253-M464 HydrophobicContact CG1-CB 4.45Å; I253-M464 HydrophobicContact CG1-CE 4.18Å; I253-A506 WeakPolarHBondContact CD1-O 3.35Å; I253-L509 HydrophobicContact CG2-CD2 4.3Å
254G86.3Confident92.5Very high53 Ų5345.5 Ų45.555%0.54626%0.259SS..THydrogen-bonded Turntrans55.235.7-175.400000113.4R256G254-R256 PolarHBondContact O-N 3.03Å
255G90.3Very high92.3Very high57 Ų5746.4 Ų46.459%0.58827%0.265SS*.THydrogen-bonded Turntrans78-3-178.300000115.8K252 I253K252-G255 WeakPolarHBondContact CD-O 3.38Å; I253-G255 PolarHBondContact O-N 3.03Å
256R93.7Very high92.2Very high90 Ų9044.2 Ų44.234%0.3425%0.252SS..EExtended strand (participates in β ladder)trans-98.8153.2178.3-61.1-179.864.4-161.4-1.7111.5K252 I253 G254 V261 D264K252-R256 CarbonylContact C-O 3.49Å; K252-R256 WeakPolarHBondContact CA-O 3.29Å; K252-R256 VanDerWaalsContact CB-O 3.27Å; K252-R256 WeakPolarHBondContact CB-O 3.13Å; K252-R256 WeakPolarHBondContact CG-O 3.33Å; I253-R256 PolarHBondContact N-O 2.85Å; I253-R256 PolarHBondContact O-N 3.39Å; G254-R256 PolarHBondContact O-N 3.03Å; R256-V261 HydrophobicContact CB-CG2 3.54Å; R256-V261 HydrophobicContact CG-CG2 4.45Å; R256-D264 IonicContact CZ-OD2 2.74Å; R256-D264 IonicContact NH1-OD2 3.51Å; R256-D264 IonicContact NH2-OD2 2.76Å; R256-D264 PolarHBondContact NH2-OD2 3.36Å
257L94.7Very high92.2Very high40 Ų4042.5 Ų42.521%0.20925%0.25CC..EExtended strand (participates in β ladder)trans-61.5137.6173.4-59.3179.3000109.7T245 F246 T247 K259 D260 V261T245-L257 HydrophobicContact CG2-CD1 4.46Å; F246-L257 WeakPolarHBondContact O-CD2 3.32Å; T247-L257 HydrophobicContact CG2-CD2 4.26Å; L257-K259 PolarHBondContact O-N 3.47Å; L257-D260 HydrophobicContact CB-CB 4.44Å; L257-D260 PolarHBondContact O-N 2.8Å; L257-V261 WeakPolarHBondContact O-CG2 3.11Å; L257-V261 PolarHBondContact O-N 3.13Å; L257-V261 VanDerWaalsContact O-N 3.14Å
258R93.7Very high92.1Very high0 Ų044.1 Ų44.10%025%0.25CS..Hα-helixtrans-51.3-43.6176.3-72.6163-174.6-178.1-2.4110.9M244 E250 Y251 I253 D260 V261 S262 D353 M464 G465M244-R258 HydrophobicContact CE-CB 3.8Å; M244-R258 PolarHBondContact O-N 2.88Å; M244-R258 HydrophobicContact SD-CB 3.92Å; E250-R258 PolarHBondContact O-NH2 3.15Å; Y251-R258 VanDerWaalsContact O-CD 3.3Å; Y251-R258 WeakPolarHBondContact O-CD 3.31Å; Y251-R258 VanDerWaalsContact O-CG 3.27Å; Y251-R258 WeakPolarHBondContact O-CG 3.43Å; Y251-R258 PolarHBondContact O-NE 3.5Å; Y251-R258 VanDerWaalsContact O-NE 3.1Å; I253-R258 HydrophobicContact CG1-CG 4.07Å; R258-D260 PolarHBondContact O-N 2.98Å; R258-V261 PolarHBondContact O-N 3.42Å; R258-S262 WeakPolarHBondContact O-CB 3.38Å; R258-S262 PolarHBondContact O-N 2.97Å; R258-S262 PolarHBondContact O-OG 2.83Å; R258-D353 IonicContact NH1-OD2 2.9Å; R258-D353 PolarHBondContact NH1-OD2 2.77Å; R258-M464 HydrophobicContact CB-CE 4.14Å; R258-M464 HydrophobicContact CG-CB 4.2Å; R258-M464 HydrophobicContact CG-CE 4.45Å; R258-M464 VanDerWaalsContact CZ-O 3.26Å; R258-M464 PolarHBondContact NE-O 2.98Å; R258-M464 VanDerWaalsContact NE-O 3.07Å; R258-M464 WeakPolarHBondContact O-CE 3.44Å; R258-G465 PolarHBondContact NH2-O 2.89Å
259K95.4Very high92.1Very high11 Ų1140.3 Ų40.35%0.04823%0.233CC..Hα-helixtrans-55.2-48.1177.1179.358.8-179.7-177.60113.4N240 M244 T245 L257 S262 V263 Y314 T319N240-K259 VanDerWaalsContact OD1-CE 3.26Å; N240-K259 WeakPolarHBondContact OD1-CE 3.3Å; N240-K259 PolarHBondContact OD1-NZ 3.39Å; M244-K259 HydrophobicContact CB-CB 4.1Å; M244-K259 VanDerWaalsContact O-CB 3.29Å; M244-K259 WeakPolarHBondContact O-CB 3.25Å; M244-K259 PolarHBondContact O-N 3.19Å; T245-K259 HydrophobicContact CG2-CB 3.7Å; T245-K259 HydrophobicContact CG2-CG 4.07Å; L257-K259 PolarHBondContact O-N 3.47Å; K259-S262 WeakPolarHBondContact O-CB 3.34Å; K259-S262 PolarHBondContact O-N 2.77Å; K259-V263 HydrophobicContact CD-CG2 4Å; K259-V263 VanDerWaalsContact O-CG2 3.24Å; K259-V263 WeakPolarHBondContact O-CG2 3.47Å; K259-V263 PolarHBondContact O-N 3.43Å; K259-Y314 HydrophobicContact CD-CE2 4.41Å; K259-Y314 WeakPolarHBondContact CE-O 3.34Å; K259-Y314 VanDerWaalsContact NZ-CZ 3.33Å; K259-Y314 PolarHBondContact NZ-O 3.37Å; K259-T319 HydrophobicContact CD-CG2 4.47Å
260D95.4Very high92.3Very high68 Ų6835.4 Ų35.436%0.36420%0.2SC..Hα-helixtrans-66-43.1-177.8-64.7-24.7000110.7L257 R258 V263 D264L257-D260 HydrophobicContact CB-CB 4.44Å; L257-D260 PolarHBondContact O-N 2.8Å; R258-D260 PolarHBondContact O-N 2.98Å; D260-V263 PolarHBondContact O-N 2.98Å; D260-D264 WeakPolarHBondContact O-CB 3.2Å; D260-D264 PolarHBondContact O-N 2.83Å
261V93.3Very high92.6Very high1 Ų134.1 Ų34.11%0.00620%0.199CC..Hα-helixtrans-60.6-48.4176175.70000110.2I253 R256 L257 R258 V263 D264 S265 M464 L509 F512I253-V261 HydrophobicContact CB-CG2 4.42Å; R256-V261 HydrophobicContact CB-CG2 3.54Å; R256-V261 HydrophobicContact CG-CG2 4.45Å; L257-V261 WeakPolarHBondContact O-CG2 3.11Å; L257-V261 PolarHBondContact O-N 3.13Å; L257-V261 VanDerWaalsContact O-N 3.14Å; R258-V261 PolarHBondContact O-N 3.42Å; V261-V263 PolarHBondContact O-N 3.14Å; V261-D264 PolarHBondContact O-N 3.03Å; V261-S265 PolarHBondContact O-N 2.95Å; V261-S265 PolarHBondContact O-OG 3.09Å; V261-M464 HydrophobicContact CB-CE 3.97Å; V261-M464 HydrophobicContact CG1-CE 3.78Å; V261-L509 HydrophobicContact CB-CD2 4.5Å; V261-L509 HydrophobicContact CG1-CD2 3.91Å; V261-L509 HydrophobicContact CG2-CD2 3.73Å; V261-F512 HydrophobicContact CB-CE1 4.45Å; V261-F512 HydrophobicContact CG1-CD1 3.32Å; V261-F512 HydrophobicContact CG1-CD2 4.45Å; V261-F512 HydrophobicContact CG1-CE1 3.36Å; V261-F512 HydrophobicContact CG1-CE2 4.49Å; V261-F512 HydrophobicContact CG1-CG 3.91Å; V261-F512 HydrophobicContact CG1-CZ 3.99Å; V261-F512 WeakPolarHBondContact O-CE1 3.32Å
262S93.6Very high92.6Very high0 Ų037.5 Ų37.50%022%0.216CC..Hα-helixtrans-56-49177-63.20000113.7M244 R258 K259 L266 Y314 L351 M464M244-S262 WeakPolarHBondContact CE-OG 3.32Å; R258-S262 WeakPolarHBondContact O-CB 3.38Å; R258-S262 PolarHBondContact O-N 2.97Å; R258-S262 PolarHBondContact O-OG 2.83Å; K259-S262 WeakPolarHBondContact O-CB 3.34Å; K259-S262 PolarHBondContact O-N 2.77Å; S262-L266 VanDerWaalsContact O-CB 3.31Å; S262-L266 WeakPolarHBondContact O-CB 3.23Å; S262-L266 PolarHBondContact O-N 3Å; S262-Y314 WeakPolarHBondContact CB-OH 3.43Å; S262-L351 WeakPolarHBondContact OG-CD2 3.43Å; S262-M464 WeakPolarHBondContact OG-CE 3.36Å; S262-M464 PolarHBondContact OG-SD 2.77Å
263V95.8Very high92.5Very high3 Ų334.3 Ų34.32%0.01820%0.202CC..Hα-helixtrans-66.7-43.5-176.9176.50000110.2K259 D260 V261 L266 S267 Y314 R315K259-V263 HydrophobicContact CD-CG2 4Å; K259-V263 VanDerWaalsContact O-CG2 3.24Å; K259-V263 WeakPolarHBondContact O-CG2 3.47Å; K259-V263 PolarHBondContact O-N 3.43Å; D260-V263 PolarHBondContact O-N 2.98Å; V261-V263 PolarHBondContact O-N 3.14Å; V263-L266 PolarHBondContact O-N 2.97Å; V263-S267 WeakPolarHBondContact O-CB 3.49Å; V263-S267 PolarHBondContact O-N 3.12Å; V263-Y314 HydrophobicContact CB-CD1 4.36Å; V263-Y314 HydrophobicContact CB-CE1 4.47Å; V263-Y314 HydrophobicContact CG2-CD1 3.56Å; V263-Y314 HydrophobicContact CG2-CE1 3.62Å; V263-Y314 HydrophobicContact CG2-CG 4.32Å; V263-R315 HydrophobicContact CG1-CB 3.69Å; V263-R315 HydrophobicContact CG1-CG 3.9Å; V263-R315 HydrophobicContact CG2-CB 4.45Å
264D93.9Very high92.6Very high43 Ų4335.8 Ų35.823%0.2321%0.208CC..Hα-helixtrans-66.5-44.3-178.5-71-12.3000111.3R256 D260 V261 S267 H268 R315R256-D264 IonicContact CZ-OD2 2.74Å; R256-D264 IonicContact NH1-OD2 3.51Å; R256-D264 IonicContact NH2-OD2 2.76Å; R256-D264 PolarHBondContact NH2-OD2 3.36Å; D260-D264 WeakPolarHBondContact O-CB 3.2Å; D260-D264 PolarHBondContact O-N 2.83Å; V261-D264 PolarHBondContact O-N 3.03Å; D264-S267 VanDerWaalsContact O-CB 3.31Å; D264-S267 WeakPolarHBondContact O-CB 3.48Å; D264-S267 PolarHBondContact O-N 3.29Å; D264-H268 PolarHBondContact O-N 2.87Å; D264-H268 PolarHBondContact O-ND1 2.96Å; D264-R315 IonicContact OD1-CZ 3.39Å; D264-R315 IonicContact OD1-NH1 3.82Å; D264-R315 PolarHBondContact OD1-NH1 2.86Å; D264-R315 IonicContact OD1-NH2 3.55Å; D264-R315 PolarHBondContact OD1-NH2 3.36Å
265S90.7Very high92.6Very high18 Ų1838.6 Ų38.613%0.12621%0.211CC..Hα-helixtrans-70.5-34.3178-61.20000113.6V261 S267 H268 L269 F512 F516V261-S265 PolarHBondContact O-N 2.95Å; V261-S265 PolarHBondContact O-OG 3.09Å; S265-S267 VanDerWaalsContact C-N 3.27Å; S265-S267 PolarHBondContact O-N 3.24Å; S265-H268 PolarHBondContact O-N 2.91Å; S265-L269 WeakPolarHBondContact O-CB 3.13Å; S265-L269 PolarHBondContact O-N 3.15Å; S265-F512 WeakPolarHBondContact OG-CD1 3.36Å; S265-F512 WeakPolarHBondContact OG-CE1 3.2Å; S265-F516 WeakPolarHBondContact O-CD1 3.23Å
266L93.5Very high92.2Very high0 Ų037.4 Ų37.40%019%0.191CC..Hα-helixtrans-59.6-43.1170.5-177.966.4000110.4F236 L238 S262 V263 L269 I270 L310 V311 Y314 F516F236-L266 HydrophobicContact CD1-CD1 3.82Å; F236-L266 HydrophobicContact CD2-CD1 4.14Å; F236-L266 HydrophobicContact CE1-CD1 3.8Å; F236-L266 HydrophobicContact CE2-CD1 4.11Å; F236-L266 HydrophobicContact CG-CD1 4Å; F236-L266 HydrophobicContact CZ-CD1 3.95Å; L238-L266 HydrophobicContact CD1-CD2 3.57Å; L238-L266 HydrophobicContact CD2-CD2 4.34Å; S262-L266 VanDerWaalsContact O-CB 3.31Å; S262-L266 WeakPolarHBondContact O-CB 3.23Å; S262-L266 PolarHBondContact O-N 3Å; V263-L266 PolarHBondContact O-N 2.97Å; L266-L269 PolarHBondContact O-N 2.87Å; L266-I270 HydrophobicContact CD1-CG1 4.42Å; L266-I270 WeakPolarHBondContact O-CG1 3.49Å; L266-I270 PolarHBondContact O-N 2.98Å; L266-L310 HydrophobicContact CD2-CD1 4.09Å; L266-V311 HydrophobicContact CD2-CG2 4.23Å; L266-V311 HydrophobicContact CG-CG2 4.13Å; L266-Y314 HydrophobicContact CD2-CD1 3.91Å; L266-F516 HydrophobicContact CB-CE1 4.44Å
267S95.4Very high91.5Very high41 Ų4133.2 Ų33.229%0.28718%0.175SC..Hα-helixtrans-59-48.2175.4-166.50000111.7V263 D264 S265 L269 I270 T271V263-S267 WeakPolarHBondContact O-CB 3.49Å; V263-S267 PolarHBondContact O-N 3.12Å; D264-S267 VanDerWaalsContact O-CB 3.31Å; D264-S267 WeakPolarHBondContact O-CB 3.48Å; D264-S267 PolarHBondContact O-N 3.29Å; S265-S267 VanDerWaalsContact C-N 3.27Å; S265-S267 PolarHBondContact O-N 3.24Å; S267-L269 VanDerWaalsContact C-N 3.34Å; S267-L269 PolarHBondContact O-N 3.47Å; S267-I270 PolarHBondContact O-N 3.2Å; S267-T271 PolarHBondContact O-N 3.16Å; S267-T271 PolarHBondContact O-OG1 3.3Å; S267-T271 VanDerWaalsContact O-OG1 3.13Å
268H91.6Very high90.4Very high129 Ų12932.9 Ų32.960%0.59718%0.175SC*.Hα-helixtrans-61.2-41.8178.1-73.288.7000112D264 S265 T271 Q272D264-H268 PolarHBondContact O-N 2.87Å; D264-H268 PolarHBondContact O-ND1 2.96Å; S265-H268 PolarHBondContact O-N 2.91Å; H268-T271 WeakPolarHBondContact O-CB 3.43Å; H268-T271 PolarHBondContact O-N 2.74Å; H268-Q272 WeakPolarHBondContact O-CG 3.4Å; H268-Q272 PolarHBondContact O-N 2.76Å
269L91Very high89.5Confident5 Ų536.4 Ų36.43%0.02619%0.194CC..Hα-helixtrans-64.3-44.1177.5174.962.4000112.4F236 S265 L266 S267 T271 Q272 F273 F516 W519 F520F236-L269 HydrophobicContact CE1-CD2 3.67Å; F236-L269 HydrophobicContact CZ-CD2 3.58Å; F236-L269 HydrophobicContact CZ-CG 4.43Å; S265-L269 WeakPolarHBondContact O-CB 3.13Å; S265-L269 PolarHBondContact O-N 3.15Å; L266-L269 PolarHBondContact O-N 2.87Å; S267-L269 VanDerWaalsContact C-N 3.34Å; S267-L269 PolarHBondContact O-N 3.47Å; L269-T271 VanDerWaalsContact C-N 3.29Å; L269-T271 PolarHBondContact O-N 3.49Å; L269-Q272 WeakPolarHBondContact O-CB 3.44Å; L269-Q272 PolarHBondContact O-N 3Å; L269-Q272 VanDerWaalsContact O-N 3.15Å; L269-F273 HydrophobicContact CD1-CD2 3.98Å; L269-F273 HydrophobicContact CD1-CE2 3.51Å; L269-F273 HydrophobicContact CD1-CZ 4.06Å; L269-F273 HydrophobicContact CD2-CE2 4.1Å; L269-F273 HydrophobicContact CG-CD2 3.96Å; L269-F273 HydrophobicContact CG-CE2 3.62Å; L269-F273 WeakPolarHBondContact O-CD2 3.36Å; L269-F273 PolarHBondContact O-N 2.78Å; L269-F516 HydrophobicContact CB-CD1 3.79Å; L269-F516 HydrophobicContact CB-CE1 4.43Å; L269-F516 HydrophobicContact CD2-CD1 3.61Å; L269-F516 HydrophobicContact CD2-CE1 4Å; L269-F516 HydrophobicContact CG-CD1 4.26Å; L269-W519 HydrophobicContact CD2-CE3 4.33Å; L269-F520 HydrophobicContact CD1-CB 3.52Å; L269-F520 HydrophobicContact CD1-CD2 4.13Å; L269-F520 HydrophobicContact CD1-CG 4.27Å
270I93.6Very high88.3Confident2 Ų239.3 Ų39.31%0.0121%0.21CC..Hα-helixtrans-61.1-40.6174.3-68.3-58.6000110.6F236 L266 S267 Q272 F273 K274 I285 W307 V311F236-I270 HydrophobicContact CE2-CD1 4.15Å; L266-I270 HydrophobicContact CD1-CG1 4.42Å; L266-I270 WeakPolarHBondContact O-CG1 3.49Å; L266-I270 PolarHBondContact O-N 2.98Å; S267-I270 PolarHBondContact O-N 3.2Å; I270-Q272 PolarHBondContact O-N 2.97Å; I270-F273 PolarHBondContact O-N 2.87Å; I270-K274 HydrophobicContact CG2-CD 4.25Å; I270-K274 VanDerWaalsContact O-CG 3.31Å; I270-K274 WeakPolarHBondContact O-CG 3.41Å; I270-K274 PolarHBondContact O-N 2.77Å; I270-I285 HydrophobicContact CD1-CD1 3.68Å; I270-I285 HydrophobicContact CD1-CG2 4.2Å; I270-W307 HydrophobicContact CD1-CB 4.38Å; I270-W307 HydrophobicContact CG2-CB 3.74Å; I270-W307 HydrophobicContact CG2-CE3 4.42Å; I270-V311 HydrophobicContact CB-CG2 4.29Å; I270-V311 HydrophobicContact CG1-CG2 3.78Å
271T93.4Very high87.5Confident66 Ų6637.1 Ų37.141%0.40520%0.204SC..Hα-helixtrans-60.5-43.3172.7-60.90000111.9S267 H268 L269 F273 K274 N275S267-T271 PolarHBondContact O-N 3.16Å; S267-T271 PolarHBondContact O-OG1 3.3Å; S267-T271 VanDerWaalsContact O-OG1 3.13Å; H268-T271 WeakPolarHBondContact O-CB 3.43Å; H268-T271 PolarHBondContact O-N 2.74Å; L269-T271 VanDerWaalsContact C-N 3.29Å; L269-T271 PolarHBondContact O-N 3.49Å; T271-F273 PolarHBondContact O-N 2.78Å; T271-K274 PolarHBondContact O-N 3.42Å; T271-N275 VanDerWaalsContact O-CG 3.22Å; T271-N275 PolarHBondContact O-N 2.94Å; T271-N275 PolarHBondContact O-OD1 3.13Å
272Q89Confident86.9Confident91 Ų9138.8 Ų38.843%0.42521%0.21SC..Hα-helixtrans-61.2-43.7175.5-69.7-61.5-35.700111.8H268 L269 I270 K274 N275 N276 F520H268-Q272 WeakPolarHBondContact O-CG 3.4Å; H268-Q272 PolarHBondContact O-N 2.76Å; L269-Q272 WeakPolarHBondContact O-CB 3.44Å; L269-Q272 PolarHBondContact O-N 3Å; L269-Q272 VanDerWaalsContact O-N 3.15Å; I270-Q272 PolarHBondContact O-N 2.97Å; Q272-K274 PolarHBondContact O-N 3.19Å; Q272-N275 PolarHBondContact O-N 2.8Å; Q272-N276 WeakPolarHBondContact O-CB 3.49Å; Q272-N276 PolarHBondContact O-N 3.12Å; Q272-N276 VanDerWaalsContact O-N 3.15Å; Q272-N276 PolarHBondContact O-ND2 2.93Å; Q272-F520 HydrophobicContact CB-CD2 3.91Å; Q272-F520 HydrophobicContact CB-CE2 3.86Å; Q272-F520 HydrophobicContact CB-CG 4.43Å; Q272-F520 HydrophobicContact CB-CZ 4.35Å
273F89.9Confident86.7Confident0 Ų038.9 Ų38.90%021%0.211CC..Hα-helixtrans-59.9-45.5174.7-77-56.3000112.4F236 L269 I270 T271 N275 N276 V277 L283 I285 W307 F520 T523 L524F236-F273 HydrophobicContact CZ-CE2 4.42Å; L269-F273 HydrophobicContact CD1-CD2 3.98Å; L269-F273 HydrophobicContact CD1-CE2 3.51Å; L269-F273 HydrophobicContact CD1-CZ 4.06Å; L269-F273 HydrophobicContact CD2-CE2 4.1Å; L269-F273 HydrophobicContact CG-CD2 3.96Å; L269-F273 HydrophobicContact CG-CE2 3.62Å; L269-F273 WeakPolarHBondContact O-CD2 3.36Å; L269-F273 PolarHBondContact O-N 2.78Å; I270-F273 PolarHBondContact O-N 2.87Å; T271-F273 PolarHBondContact O-N 2.78Å; F273-N275 VanDerWaalsContact C-N 3.29Å; F273-N275 PolarHBondContact O-N 2.87Å; F273-N276 PolarHBondContact O-N 2.99Å; F273-V277 HydrophobicContact CD1-CG2 4.36Å; F273-V277 WeakPolarHBondContact O-CA 3.26Å; F273-V277 WeakPolarHBondContact O-CB 3.34Å; F273-V277 PolarHBondContact O-N 3.18Å; F273-L283 HydrophobicContact CB-CD2 4.07Å; F273-L283 HydrophobicContact CD1-CD2 3.33Å; F273-L283 HydrophobicContact CD2-CD2 4.39Å; F273-L283 HydrophobicContact CE1-CD2 3.78Å; F273-L283 HydrophobicContact CG-CD2 3.69Å; F273-L283 HydrophobicContact CZ-CD2 4.45Å; F273-I285 HydrophobicContact CB-CD1 4.41Å; F273-I285 HydrophobicContact CD2-CD1 3.86Å; F273-I285 HydrophobicContact CE2-CD1 4.39Å; F273-I285 HydrophobicContact CG-CD1 4.24Å; F273-W307 HydrophobicContact CB-CZ3 4.06Å; F273-F520 AromaticContact CD1-CD2 3.59Å; F273-F520 HydrophobicContact CD1-CD2 3.59Å; F273-F520 AromaticContact CD1-CE2 3.64Å; F273-F520 HydrophobicContact CD1-CE2 3.64Å; F273-F520 HydrophobicContact CD2-CD2 4.47Å; F273-F520 AromaticContact CE1-CD2 3.5Å; F273-F520 HydrophobicContact CE1-CD2 3.5Å; F273-F520 AromaticContact CE1-CE2 3.94Å; F273-F520 HydrophobicContact CE1-CE2 3.94Å; F273-F520 HydrophobicContact CE1-CG 4.47Å; F273-F520 HydrophobicContact CE2-CD2 4.42Å; F273-F520 HydrophobicContact CG-CD2 4.09Å; F273-F520 HydrophobicContact CG-CE2 4.23Å; F273-F520 AromaticContact CZ-CD2 3.95Å; F273-F520 HydrophobicContact CZ-CD2 3.95Å; F273-T523 HydrophobicContact CE1-CG2 4.03Å; F273-T523 HydrophobicContact CZ-CG2 4.2Å; F273-L524 HydrophobicContact CE1-CD2 4.31Å; F273-L524 HydrophobicContact CE1-CG 4.45Å
274K90.5Very high86.6Confident33 Ų3340.7 Ų40.714%0.14322%0.217CC..Hα-helixtrans-60.9-37.2178.3-70.1175.3172.9-164.20113.5I270 T271 Q272 N276 Y304 W307 D308I270-K274 HydrophobicContact CG2-CD 4.25Å; I270-K274 VanDerWaalsContact O-CG 3.31Å; I270-K274 WeakPolarHBondContact O-CG 3.41Å; I270-K274 PolarHBondContact O-N 2.77Å; T271-K274 PolarHBondContact O-N 3.42Å; Q272-K274 PolarHBondContact O-N 3.19Å; K274-N276 VanDerWaalsContact C-N 3.33Å; K274-Y304 HydrophobicContact CB-CD2 4.26Å; K274-Y304 HydrophobicContact CB-CE1 4.41Å; K274-Y304 HydrophobicContact CB-CE2 3.99Å; K274-Y304 HydrophobicContact CD-CD2 4.22Å; K274-Y304 HydrophobicContact CD-CG 4.14Å; K274-Y304 WeakPolarHBondContact CE-O 3.3Å; K274-Y304 HydrophobicContact CG-CD1 3.86Å; K274-Y304 HydrophobicContact CG-CD2 3.94Å; K274-Y304 HydrophobicContact CG-CE1 4.06Å; K274-Y304 HydrophobicContact CG-CE2 4.11Å; K274-Y304 HydrophobicContact CG-CG 3.81Å; K274-Y304 PolarHBondContact NZ-O 3.37Å; K274-Y304 VanDerWaalsContact NZ-O 3.17Å; K274-Y304 PolarHBondContact O-OH 3.01Å; K274-W307 HydrophobicContact CG-CE3 3.71Å; K274-W307 HydrophobicContact CG-CZ3 3.85Å; K274-D308 IonicContact NZ-OD1 3.76Å; K274-D308 PolarHBondContact NZ-OD1 3.05Å; K274-D308 IonicContact NZ-OD2 3.98Å; K274-D308 PolarHBondContact NZ-OD2 3.2Å
275N86.8Confident86.7Confident112 Ų11238.7 Ų38.760%0.59921%0.207SC*.Hα-helixtrans-75.3-23.2-179.2-68.7-8.6000112.8T271 Q272 F273T271-N275 VanDerWaalsContact O-CG 3.22Å; T271-N275 PolarHBondContact O-N 2.94Å; T271-N275 PolarHBondContact O-OD1 3.13Å; Q272-N275 PolarHBondContact O-N 2.8Å; F273-N275 VanDerWaalsContact C-N 3.29Å; F273-N275 PolarHBondContact O-N 2.87Å
276N80.6Confident87Confident32 Ų3237.9 Ų37.917%0.17120%0.201CC..Hα-helixtrans-116.9-15-171.9-67.7-87.8000114.3L101 Q272 F273 K274 F520 L524L101-N276 WeakPolarHBondContact CD1-O 3.44Å; Q272-N276 WeakPolarHBondContact O-CB 3.49Å; Q272-N276 PolarHBondContact O-N 3.12Å; Q272-N276 VanDerWaalsContact O-N 3.15Å; Q272-N276 PolarHBondContact O-ND2 2.93Å; F273-N276 PolarHBondContact O-N 2.99Å; K274-N276 VanDerWaalsContact C-N 3.33Å; N276-F520 HydrophobicContact CB-CE2 4.23Å; N276-F520 HydrophobicContact CB-CZ 3.71Å; N276-L524 HydrophobicContact CB-CD1 4.38Å
277V79.6Confident87.2Confident2 Ų237.9 Ų37.91%0.01220%0.201CC..SBendtrans-130.3115.6-177.9-174.40000109.3L227 F273 L283 Y304 L524L227-V277 HydrophobicContact CD1-CG1 3.86Å; L227-V277 HydrophobicContact CD1-CG2 4.08Å; F273-V277 HydrophobicContact CD1-CG2 4.36Å; F273-V277 WeakPolarHBondContact O-CA 3.26Å; F273-V277 WeakPolarHBondContact O-CB 3.34Å; F273-V277 PolarHBondContact O-N 3.18Å; V277-L283 HydrophobicContact CG1-CB 3.81Å; V277-L283 HydrophobicContact CG2-CD2 4.37Å; V277-Y304 PolarHBondContact O-OH 2.88Å; V277-L524 HydrophobicContact CG2-CD1 4.07Å; V277-L524 HydrophobicContact CG2-CD2 3.56Å; V277-L524 HydrophobicContact CG2-CG 4.49Å
278P72.8Confident87.4Confident33 Ų3335.9 Ų35.921%0.21419%0.187CC..  trans-65.8153.8179.130.4-36.9000112.2Y102 N280 Y304Y102-P278 HydrophobicContact CD2-CG 3.36Å; Y102-P278 HydrophobicContact CE2-CG 3.63Å; Y102-P278 HydrophobicContact CG-CG 4.17Å; P278-N280 VanDerWaalsContact CG-ND2 3.33Å; P278-N280 WeakPolarHBondContact CG-ND2 3.18Å; P278-N280 PolarHBondContact O-N 3.12Å; P278-N280 PolarHBondContact O-OD1 2.79Å; P278-Y304 WeakPolarHBondContact CA-OH 3.38Å
279D73Confident87.7Confident75 Ų7529.8 Ų29.840%0.40116%0.159SC..SBendtrans-75.470.4172.8-1725.2000111.6S302 R303 Y304D279-S302 VanDerWaalsContact CG-O 3.32Å; D279-S302 VanDerWaalsContact OD1-CB 3.28Å; D279-S302 WeakPolarHBondContact OD1-CB 3.32Å; D279-S302 PolarHBondContact OD1-OG 3.27Å; D279-R303 WeakPolarHBondContact OD2-CA 3.42Å; D279-Y304 HydrophobicContact CB-CD1 4.12Å; D279-Y304 HydrophobicContact CB-CE1 3.82Å
280N72.1Confident88Confident71 Ų7129.5 Ų29.538%0.3816%0.157SC..SBendtrans-131.112.817966.16.5000113.1P278 Y282P278-N280 VanDerWaalsContact CG-ND2 3.33Å; P278-N280 WeakPolarHBondContact CG-ND2 3.18Å; P278-N280 PolarHBondContact O-N 3.12Å; P278-N280 PolarHBondContact O-OD1 2.79Å; N280-Y282 VanDerWaalsContact CG-CD2 3.44Å; N280-Y282 VanDerWaalsContact ND2-CD2 3.31Å; N280-Y282 WeakPolarHBondContact ND2-CD2 3.38Å; N280-Y282 WeakPolarHBondContact ND2-CE2 3.5Å; N280-Y282 WeakPolarHBondContact OD1-CD2 2.75Å; N280-Y282 PolarHBondContact OD1-N 3.1Å
281G78Confident88.2Confident22 Ų2229.4 Ų29.423%0.22716%0.157CC..SBendtrans901.3176.900000115.9L283 R344G281-L283 VanDerWaalsContact C-N 3.29Å; G281-L283 PolarHBondContact O-N 2.88Å; G281-R344 VanDerWaalsContact O-CZ 3.25Å; G281-R344 PolarHBondContact O-NH1 3.29Å; G281-R344 PolarHBondContact O-NH2 3.48Å
282Y80.8Confident88.3Confident36 Ų3627.2 Ų27.214%0.14114%0.143CC..SBendtrans-63.1-36174.8-79.3-58.8000113.2Y102 L227 R229 G231 V232 N280 R344Y102-Y282 AromaticContact CD1-CD2 3.98Å; Y102-Y282 HydrophobicContact CD1-CD2 3.98Å; Y102-Y282 AromaticContact CD1-CE2 3.59Å; Y102-Y282 HydrophobicContact CD1-CE2 3.59Å; Y102-Y282 AromaticContact CE1-CD2 3.74Å; Y102-Y282 HydrophobicContact CE1-CD2 3.74Å; Y102-Y282 AromaticContact CE1-CE2 3.78Å; Y102-Y282 HydrophobicContact CE1-CE2 3.78Å; Y102-Y282 HydrophobicContact CE1-CG 4.37Å; Y102-Y282 HydrophobicContact CG-CE2 4.18Å; L227-Y282 HydrophobicContact CB-CD1 4.34Å; L227-Y282 HydrophobicContact CB-CG 4.28Å; L227-Y282 WeakPolarHBondContact O-CD1 3.38Å; L227-Y282 VanDerWaalsContact O-CE1 3.31Å; L227-Y282 WeakPolarHBondContact O-CE1 3.38Å; R229-Y282 HydrophobicContact CG-CE1 3.95Å; G231-Y282 CarbonylContact C-O 3.54Å; G231-Y282 VanDerWaalsContact CA-O 3.28Å; G231-Y282 WeakPolarHBondContact CA-O 3.26Å; V232-Y282 PolarHBondContact N-O 3.13Å; N280-Y282 VanDerWaalsContact CG-CD2 3.44Å; N280-Y282 VanDerWaalsContact ND2-CD2 3.31Å; N280-Y282 WeakPolarHBondContact ND2-CD2 3.38Å; N280-Y282 WeakPolarHBondContact ND2-CE2 3.5Å; N280-Y282 WeakPolarHBondContact OD1-CD2 2.75Å; N280-Y282 PolarHBondContact OD1-N 3.1Å; Y282-R344 VanDerWaalsContact C-NH2 3.35Å; Y282-R344 PolarHBondContact O-NH2 3.3Å
283L88.5Confident88.6Confident2 Ų225.9 Ų25.91%0.0114%0.139CC..EExtended strand (participates in β ladder)trans-118.7133.2174.2-176.560.4000109.2L227 V232 V234 F273 V277 G281 I285 S302 W307 T523L227-L283 HydrophobicContact CD1-CB 3.81Å; V232-L283 HydrophobicContact CB-CD1 4.24Å; V232-L283 HydrophobicContact CG1-CD1 4.09Å; V232-L283 WeakPolarHBondContact O-CA 3.4Å; V234-L283 HydrophobicContact CB-CD1 4.46Å; V234-L283 HydrophobicContact CG2-CD1 3.7Å; F273-L283 HydrophobicContact CB-CD2 4.07Å; F273-L283 HydrophobicContact CD1-CD2 3.33Å; F273-L283 HydrophobicContact CD2-CD2 4.39Å; F273-L283 HydrophobicContact CE1-CD2 3.78Å; F273-L283 HydrophobicContact CG-CD2 3.69Å; F273-L283 HydrophobicContact CZ-CD2 4.45Å; V277-L283 HydrophobicContact CG1-CB 3.81Å; V277-L283 HydrophobicContact CG2-CD2 4.37Å; G281-L283 VanDerWaalsContact C-N 3.29Å; G281-L283 PolarHBondContact O-N 2.88Å; L283-I285 HydrophobicContact CD1-CG1 4.36Å; L283-I285 HydrophobicContact CD2-CD1 3.89Å; L283-I285 HydrophobicContact CD2-CG1 4.09Å; L283-I285 HydrophobicContact CG-CD1 4.27Å; L283-I285 HydrophobicContact CG-CG1 3.89Å; L283-S302 WeakPolarHBondContact O-CA 3.29Å; L283-S302 WeakPolarHBondContact O-CB 3.48Å; L283-W307 HydrophobicContact CD2-CH2 4.22Å; L283-W307 HydrophobicContact CG-CZ2 4.48Å; L283-T523 HydrophobicContact CD1-CG2 4.08Å
284R93.3Very high89Confident42 Ų4227.4 Ų27.416%0.15815%0.148CC..EExtended strand (participates in β ladder)trans-121133.1165.2-59-175.4-55.1173.39.4108.8V232 D233 V234 L300 S301 D340 N342V232-R284 PolarHBondContact O-N 2.76Å; D233-R284 WeakPolarHBondContact CA-O 3.42Å; D233-R284 WeakPolarHBondContact OD1-CB 3.42Å; D233-R284 IonicContact OD1-CZ 3.5Å; D233-R284 IonicContact OD1-NE 2.68Å; D233-R284 PolarHBondContact OD1-NE 3.29Å; D233-R284 IonicContact OD1-NH2 2.97Å; D233-R284 PolarHBondContact OD1-NH2 3.28Å; D233-R284 VanDerWaalsContact OD1-NH2 3.11Å; D233-R284 IonicContact OD2-CZ 2.65Å; D233-R284 IonicContact OD2-NE 3.51Å; D233-R284 IonicContact OD2-NH2 2.84Å; D233-R284 PolarHBondContact OD2-NH2 2.69Å; V234-R284 PolarHBondContact N-O 3.26Å; R284-L300 HydrophobicContact CB-CB 4.03Å; R284-L300 HydrophobicContact CB-CD2 4.33Å; R284-S301 CarbonylContact C-O 3.5Å; R284-S301 VanDerWaalsContact CA-O 3.24Å; R284-S301 WeakPolarHBondContact CA-O 3.21Å; R284-D340 IonicContact CZ-OD2 3.27Å; R284-D340 IonicContact NH1-OD2 3.77Å; R284-D340 PolarHBondContact NH1-OD2 2.89Å; R284-D340 IonicContact NH2-OD1 3.79Å; R284-D340 PolarHBondContact NH2-OD1 2.87Å; R284-D340 IonicContact NH2-OD2 2.65Å; R284-D340 PolarHBondContact NH2-OD2 2.89Å; R284-N342 PolarHBondContact NH2-ND2 3.27Å
285I95.9Very high89.3Confident1 Ų128.7 Ų28.71%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-117.4135.3-179.5-55-177.4000108.6V234 F236 I270 F273 L283 S301 W307 L310V234-I285 HydrophobicContact CB-CG1 4.48Å; V234-I285 CarbonylContact O-C 3.53Å; V234-I285 WeakPolarHBondContact O-CA 3.49Å; F236-I285 HydrophobicContact CD2-CG2 3.58Å; F236-I285 HydrophobicContact CE2-CG2 3.47Å; F236-I285 VanDerWaalsContact CE2-CG2 3.47Å; I270-I285 HydrophobicContact CD1-CD1 3.68Å; I270-I285 HydrophobicContact CD1-CG2 4.2Å; F273-I285 HydrophobicContact CB-CD1 4.41Å; F273-I285 HydrophobicContact CD2-CD1 3.86Å; F273-I285 HydrophobicContact CE2-CD1 4.39Å; F273-I285 HydrophobicContact CG-CD1 4.24Å; L283-I285 HydrophobicContact CD1-CG1 4.36Å; L283-I285 HydrophobicContact CD2-CD1 3.89Å; L283-I285 HydrophobicContact CD2-CG1 4.09Å; L283-I285 HydrophobicContact CG-CD1 4.27Å; L283-I285 HydrophobicContact CG-CG1 3.89Å; I285-S301 PolarHBondContact N-O 3.35Å; I285-S301 PolarHBondContact O-N 2.88Å; I285-S301 VanDerWaalsContact O-N 3.11Å; I285-W307 HydrophobicContact CB-CD2 4.48Å; I285-W307 HydrophobicContact CB-CG 4.36Å; I285-W307 HydrophobicContact CD1-CD2 3.88Å; I285-W307 HydrophobicContact CD1-CE3 4.1Å; I285-W307 HydrophobicContact CD1-CG 4.39Å; I285-W307 HydrophobicContact CD1-CH2 4.3Å; I285-W307 HydrophobicContact CD1-CZ2 4.07Å; I285-W307 HydrophobicContact CD1-CZ3 4.31Å; I285-W307 HydrophobicContact CG1-CD2 4.35Å; I285-W307 HydrophobicContact CG1-CZ2 4.05Å; I285-L310 HydrophobicContact CG2-CD2 3.73Å
286G97.7Very high89.8Confident0 Ų024.8 Ų24.80%014%0.137CC..EExtended strand (participates in β ladder)trans-133.1172.9169.400000110.3V234 F236 S298V234-G286 PolarHBondContact O-N 3.15Å; F236-G286 PolarHBondContact N-O 2.83Å; G286-S298 WeakPolarHBondContact CA-OG 3.01Å
287S98.4Very high90.6Very high0 Ų025.5 Ų25.50%014%0.143CC..EExtended strand (participates in β ladder)trans-145.8154.6178.566.30000112.5M235 F236 T297 S298 L310M235-S287 PolarHBondContact SD-N 2.89Å; M235-S287 VanDerWaalsContact SD-N 3.36Å; F236-S287 CarbonylContact O-C 3.53Å; F236-S287 WeakPolarHBondContact O-CA 3.46Å; S287-T297 CarbonylContact O-C 3.53Å; S287-T297 VanDerWaalsContact O-CA 3.26Å; S287-T297 WeakPolarHBondContact O-CA 3.11Å; S287-S298 PolarHBondContact N-OG 2.79Å; S287-S298 PolarHBondContact O-N 3.24Å; S287-S298 PolarHBondContact OG-OG 3.34Å; S287-L310 WeakPolarHBondContact OG-CB 3.13Å
288V98.5Very high91.5Very high0 Ų026.3 Ų26.30%015%0.149CC..EExtended strand (participates in β ladder)trans-132.6113.4168.1179.30000107.1M235 F236 V237 L238 V294 T297 E332 A333M235-V288 HydrophobicContact CG-CG2 4.48Å; M235-V288 HydrophobicContact SD-CG2 3.99Å; F236-V288 PolarHBondContact O-N 3.49Å; V237-V288 CarbonylContact C-O 3.53Å; V237-V288 WeakPolarHBondContact CA-O 3.46Å; V237-V288 HydrophobicContact CG2-CB 4.49Å; L238-V288 PolarHBondContact N-O 2.78Å; V288-V294 HydrophobicContact CG1-CG1 4.07Å; V288-V294 HydrophobicContact CG1-CG2 4.25Å; V288-T297 HydrophobicContact CG2-CG2 4.41Å; V288-E332 HydrophobicContact CG1-CB 4.02Å; V288-E332 HydrophobicContact CG1-CG 4.1Å; V288-E332 HydrophobicContact CG2-CB 4.15Å; V288-E332 HydrophobicContact CG2-CG 3.82Å; V288-A333 HydrophobicContact CG2-CB 4.29Å
289V98.4Very high92.6Very high0 Ų030.5 Ų30.50%017%0.169CC..EExtended strand (participates in β ladder)trans-93.8121.2172.3-176.80000107.6L238 N240 I295 S296 Y314 A317L238-V289 HydrophobicContact CB-CG2 4.49Å; L238-V289 HydrophobicContact CD1-CG2 4.38Å; L238-V289 WeakPolarHBondContact O-CA 3.2Å; N240-V289 HydrophobicContact CB-CG1 3.53Å; V289-I295 HydrophobicContact CG1-CB 4.35Å; V289-I295 HydrophobicContact CG1-CD1 4.48Å; V289-I295 PolarHBondContact O-N 3.3Å; V289-S296 PolarHBondContact N-O 3.06Å; V289-S296 PolarHBondContact O-N 3.23Å; V289-Y314 HydrophobicContact CB-CD2 4.42Å; V289-Y314 HydrophobicContact CG1-CD2 3.77Å; V289-Y314 HydrophobicContact CG1-CE2 4.19Å; V289-Y314 HydrophobicContact CG2-CD2 3.77Å; V289-Y314 HydrophobicContact CG2-CG 4.35Å; V289-A317 HydrophobicContact CG1-CB 4.11Å
290F97.9Very high93.6Very high0 Ų028.1 Ų28.10%016%0.157CC..EExtended strand (participates in β ladder)trans-122.3153.5-176.275.4-88.1000112.2V237 L238 D239 N240 T324 T326 L350V237-F290 HydrophobicContact CG1-CD1 3.65Å; V237-F290 HydrophobicContact CG1-CE1 3.7Å; L238-F290 VanDerWaalsContact C-CE1 3.48Å; L238-F290 VanDerWaalsContact O-CD1 3.29Å; L238-F290 WeakPolarHBondContact O-CD1 3.44Å; L238-F290 PolarHBondContact O-N 3.31Å; D239-F290 HydrophobicContact CB-CE1 3.93Å; D239-F290 HydrophobicContact CB-CE2 4.19Å; D239-F290 HydrophobicContact CB-CZ 3.56Å; N240-F290 CarbonylContact C-O 3.15Å; N240-F290 WeakPolarHBondContact CA-O 3.46Å; N240-F290 WeakPolarHBondContact CB-O 3.38Å; N240-F290 PolarHBondContact N-O 2.88Å; F290-T324 HydrophobicContact CE2-CG2 4.1Å; F290-T326 HydrophobicContact CZ-CG2 4.26Å; F290-L350 HydrophobicContact CE1-CD1 4.14Å; F290-L350 HydrophobicContact CZ-CD1 4.45Å
291G96.8Very high94.7Very high0 Ų025.6 Ų25.60%015%0.145CC..SBendtrans-149.3-124170.900000107.5N293 Q323 Y325G291-N293 PolarHBondContact N-O 2.87Å; G291-N293 PolarHBondContact O-N 2.92Å; G291-Q323 CarbonylContact C-O 3.55Å; G291-Q323 WeakPolarHBondContact CA-O 3.43Å; G291-Y325 WeakPolarHBondContact O-CB 3.41Å; G291-Y325 PolarHBondContact O-N 2.9Å
292T96.3Very high95.4Very high20 Ų2025.8 Ų25.812%0.12314%0.143CC..SBendtrans-57.7-35.9169-55.50000111.3H322 Q323 Y325T292-H322 WeakPolarHBondContact OG1-CA 3.24Å; T292-Q323 PolarHBondContact N-O 3.35Å; T292-Q323 PolarHBondContact OG1-N 3.27Å; T292-Y325 WeakPolarHBondContact O-CB 3.27Å; T292-Y325 WeakPolarHBondContact O-CD1 3.4Å
293N95.7Very high96.1Very high62 Ų6230.6 Ų30.633%0.33216%0.16SC..SBendtrans-129.3173.5179.1-56.1-33.3000109.1G291 I295 G391 N392G291-N293 PolarHBondContact N-O 2.87Å; G291-N293 PolarHBondContact O-N 2.92Å; N293-I295 PolarHBondContact O-N 3.4Å; N293-G391 CarbonylContact C-O 3.32Å; N293-G391 VanDerWaalsContact C-O 3.32Å; N293-G391 WeakPolarHBondContact CA-O 3.46Å; N293-G391 WeakPolarHBondContact CB-O 3.5Å; N293-N392 HydrophobicContact CB-CB 4.12Å; N293-N392 VanDerWaalsContact OD1-CA 3.31Å; N293-N392 WeakPolarHBondContact OD1-CA 3.44Å; N293-N392 VanDerWaalsContact OD1-CB 3.32Å; N293-N392 WeakPolarHBondContact OD1-CB 3.32Å
294V96.9Very high96.4Very high33 Ų3333.7 Ų33.720%0.217%0.172CC..EExtended strand (participates in β ladder)trans-69.1116160.2174.30000108.2V288 T297 E332 G391V288-V294 HydrophobicContact CG1-CG1 4.07Å; V288-V294 HydrophobicContact CG1-CG2 4.25Å; V294-T297 HydrophobicContact CG1-CG2 3.44Å; V294-T297 VanDerWaalsContact CG1-CG2 3.44Å; V294-E332 HydrophobicContact CG1-CG 4.24Å; V294-E332 HydrophobicContact CG2-CB 4.03Å; V294-E332 HydrophobicContact CG2-CG 4.43Å; V294-G391 PolarHBondContact N-O 2.96Å
295I96.9Very high96.6Very high60 Ų6034.2 Ų34.231%0.30818%0.183SC..EExtended strand (participates in β ladder)trans-90.6-44.7-172.3-63.6161.8000110.8N240 V289 N293 A317N240-I295 HydrophobicContact CB-CD1 3.91Å; V289-I295 HydrophobicContact CG1-CB 4.35Å; V289-I295 HydrophobicContact CG1-CD1 4.48Å; V289-I295 PolarHBondContact O-N 3.3Å; N293-I295 PolarHBondContact O-N 3.4Å; I295-A317 HydrophobicContact CG2-CB 4.06Å
296S97.2Very high96.6Very high29 Ų2936.7 Ų36.720%0.20320%0.196CC..EExtended strand (participates in β ladder)trans-149.5150.6-178.8-169.60000110.1V289V289-S296 PolarHBondContact N-O 3.06Å; V289-S296 PolarHBondContact O-N 3.23Å
297T97.8Very high96.6Very high47 Ų4736.8 Ų36.829%0.28820%0.196SC..EExtended strand (participates in β ladder)trans-141.9148.2178.261.50000110.4S287 V288 V294 E332 R336S287-T297 CarbonylContact O-C 3.53Å; S287-T297 VanDerWaalsContact O-CA 3.26Å; S287-T297 WeakPolarHBondContact O-CA 3.11Å; V288-T297 HydrophobicContact CG2-CG2 4.41Å; V294-T297 HydrophobicContact CG1-CG2 3.44Å; V294-T297 VanDerWaalsContact CG1-CG2 3.44Å; T297-E332 HydrophobicContact CG2-CG 3.82Å; T297-R336 PolarHBondContact OG1-NH2 3.17Å; T297-R336 VanDerWaalsContact OG1-NH2 3.13Å
298S97.6Very high96.6Very high20 Ų2040.5 Ų40.514%0.1422%0.216CC..EExtended strand (participates in β ladder)trans-118.6149.1162.661.20000111.4G286 S287 R336G286-S298 WeakPolarHBondContact CA-OG 3.01Å; S287-S298 PolarHBondContact N-OG 2.79Å; S287-S298 PolarHBondContact O-N 3.24Å; S287-S298 PolarHBondContact OG-OG 3.34Å; S298-R336 PolarHBondContact O-NH1 2.96Å; S298-R336 VanDerWaalsContact O-NH1 3.1Å
299N96Very high96.6Very high120 Ų12045.2 Ų45.264%0.64224%0.238SC*.EExtended strand (participates in β ladder)trans-73.2155.8169.4-68.5-31.5000109.8S301 R336N299-S301 PolarHBondContact O-N 2.78Å; N299-R336 PolarHBondContact OD1-NH1 3.49Å
300L95.8Very high96.5Very high26 Ų2645.3 Ų45.314%0.13624%0.239CC..EExtended strand (participates in β ladder)trans-60.1119.3168.9-71.3167.1000109.3D233 M235 R284 L337D233-L300 HydrophobicContact CB-CD1 4.05Å; D233-L300 HydrophobicContact CB-CD2 3.98Å; M235-L300 HydrophobicContact CE-CD2 3.88Å; M235-L300 HydrophobicContact CE-CG 3.95Å; R284-L300 HydrophobicContact CB-CB 4.03Å; R284-L300 HydrophobicContact CB-CD2 4.33Å; L300-L337 HydrophobicContact CD1-CD2 4.39Å; L300-L337 HydrophobicContact CD2-CD2 4.49Å
301S95Very high96.5Very high18 Ų1845.7 Ų45.713%0.12624%0.241CC..EExtended strand (participates in β ladder)trans-139.1149.7178.5-176.50000110.6R284 I285 N299 R303 D306 W307R284-S301 CarbonylContact C-O 3.5Å; R284-S301 VanDerWaalsContact CA-O 3.24Å; R284-S301 WeakPolarHBondContact CA-O 3.21Å; I285-S301 PolarHBondContact N-O 3.35Å; I285-S301 PolarHBondContact O-N 2.88Å; I285-S301 VanDerWaalsContact O-N 3.11Å; N299-S301 PolarHBondContact O-N 2.78Å; S301-R303 PolarHBondContact OG-N 2.83Å; S301-R303 VanDerWaalsContact OG-N 3.12Å; S301-D306 WeakPolarHBondContact CB-OD2 3.43Å; S301-D306 PolarHBondContact OG-OD2 3.39Å; S301-W307 PolarHBondContact O-NE1 2.84Å
302S92.7Very high96.6Very high26 Ų2648.5 Ų48.518%0.18226%0.258CS..  trans-88.1-14.2168.5670000113D279 L283 Y304 W307D279-S302 VanDerWaalsContact CG-O 3.32Å; D279-S302 VanDerWaalsContact OD1-CB 3.28Å; D279-S302 WeakPolarHBondContact OD1-CB 3.32Å; D279-S302 PolarHBondContact OD1-OG 3.27Å; L283-S302 WeakPolarHBondContact O-CA 3.29Å; L283-S302 WeakPolarHBondContact O-CB 3.48Å; S302-Y304 PolarHBondContact O-N 3.12Å; S302-W307 WeakPolarHBondContact O-CZ2 3.42Å
303R94.9Very high96.7Very high136 Ų13649.8 Ų49.851%0.51326%0.264SS..  trans-71.2126.5-171.5-63.2174.663.1-155.6-0.6111.1D279 S301 S305 D306 W307D279-R303 WeakPolarHBondContact OD2-CA 3.42Å; S301-R303 PolarHBondContact OG-N 2.83Å; S301-R303 VanDerWaalsContact OG-N 3.12Å; R303-S305 PolarHBondContact NH2-OG 2.99Å; R303-S305 PolarHBondContact O-N 3.34Å; R303-S305 VanDerWaalsContact O-N 3.17Å; R303-D306 HydrophobicContact CB-CB 4.37Å; R303-D306 IonicContact NH1-OD1 2.79Å; R303-D306 WeakPolarHBondContact O-CB 3.46Å; R303-D306 PolarHBondContact O-N 3.18Å; R303-W307 PolarHBondContact O-N 3.35Å
304Y95.5Very high96.8Very high67 Ų6746.8 Ų46.826%0.26325%0.248SC..Hα-helixtrans-58.2-33179.1-70.20.9000113.6K274 V277 P278 D279 S302 D306 W307 D308K274-Y304 HydrophobicContact CB-CD2 4.26Å; K274-Y304 HydrophobicContact CB-CE1 4.41Å; K274-Y304 HydrophobicContact CB-CE2 3.99Å; K274-Y304 HydrophobicContact CD-CD2 4.22Å; K274-Y304 HydrophobicContact CD-CG 4.14Å; K274-Y304 WeakPolarHBondContact CE-O 3.3Å; K274-Y304 HydrophobicContact CG-CD1 3.86Å; K274-Y304 HydrophobicContact CG-CD2 3.94Å; K274-Y304 HydrophobicContact CG-CE1 4.06Å; K274-Y304 HydrophobicContact CG-CE2 4.11Å; K274-Y304 HydrophobicContact CG-CG 3.81Å; K274-Y304 PolarHBondContact NZ-O 3.37Å; K274-Y304 VanDerWaalsContact NZ-O 3.17Å; K274-Y304 PolarHBondContact O-OH 3.01Å; V277-Y304 PolarHBondContact O-OH 2.88Å; P278-Y304 WeakPolarHBondContact CA-OH 3.38Å; D279-Y304 HydrophobicContact CB-CD1 4.12Å; D279-Y304 HydrophobicContact CB-CE1 3.82Å; S302-Y304 PolarHBondContact O-N 3.12Å; Y304-D306 VanDerWaalsContact C-N 3.3Å; Y304-D306 PolarHBondContact O-N 3.49Å; Y304-W307 HydrophobicContact CD1-CD2 4.28Å; Y304-W307 AromaticContact CD1-CE3 3.7Å; Y304-W307 HydrophobicContact CD1-CE3 3.7Å; Y304-W307 AromaticContact CD1-CH2 3.91Å; Y304-W307 HydrophobicContact CD1-CH2 3.91Å; Y304-W307 HydrophobicContact CD1-CZ2 4.47Å; Y304-W307 AromaticContact CD1-CZ3 3.48Å; Y304-W307 HydrophobicContact CD1-CZ3 3.48Å; Y304-W307 VanDerWaalsContact CD1-CZ3 3.48Å; Y304-W307 HydrophobicContact CE1-CE3 4.19Å; Y304-W307 AromaticContact CE1-CH2 3.76Å; Y304-W307 HydrophobicContact CE1-CH2 3.76Å; Y304-W307 AromaticContact CE1-CZ3 3.5Å; Y304-W307 HydrophobicContact CE1-CZ3 3.5Å; Y304-W307 VanDerWaalsContact CE1-CZ3 3.5Å; Y304-W307 WeakPolarHBondContact O-CB 3.42Å; Y304-W307 PolarHBondContact O-N 3.09Å; Y304-D308 PolarHBondContact O-N 2.94Å
305S96.7Very high96.9Very high54 Ų5450.6 Ų50.638%0.37826%0.259SS..Hα-helixtrans-63.4-36.1175.758.30000112.5R303 W307 D308 Q309R303-S305 PolarHBondContact NH2-OG 2.99Å; R303-S305 PolarHBondContact O-N 3.34Å; R303-S305 VanDerWaalsContact O-N 3.17Å; S305-W307 VanDerWaalsContact C-N 3.27Å; S305-D308 PolarHBondContact O-N 2.74Å; S305-Q309 WeakPolarHBondContact O-CB 3.35Å; S305-Q309 PolarHBondContact O-N 3.07Å
306D97Very high97Very high53 Ų5353.3 Ų53.328%0.28327%0.274SS..Hα-helixtrans-73-29.1179.4-59.2-11.9000110S301 R303 Y304 Q309 L310S301-D306 WeakPolarHBondContact CB-OD2 3.43Å; S301-D306 PolarHBondContact OG-OD2 3.39Å; R303-D306 HydrophobicContact CB-CB 4.37Å; R303-D306 IonicContact NH1-OD1 2.79Å; R303-D306 WeakPolarHBondContact O-CB 3.46Å; R303-D306 PolarHBondContact O-N 3.18Å; Y304-D306 VanDerWaalsContact C-N 3.3Å; Y304-D306 PolarHBondContact O-N 3.49Å; D306-Q309 PolarHBondContact O-N 3.24Å; D306-L310 PolarHBondContact O-N 2.74Å
307W96.9Very high97Very high1 Ų152.7 Ų52.70%0.00427%0.271CS..Hα-helixtrans-73.7-34.1172.7-52.9-6.7000112.7I270 F273 K274 L283 I285 S301 S302 R303 Y304 S305 Q309 L310 V311I270-W307 HydrophobicContact CD1-CB 4.38Å; I270-W307 HydrophobicContact CG2-CB 3.74Å; I270-W307 HydrophobicContact CG2-CE3 4.42Å; F273-W307 HydrophobicContact CB-CZ3 4.06Å; K274-W307 HydrophobicContact CG-CE3 3.71Å; K274-W307 HydrophobicContact CG-CZ3 3.85Å; L283-W307 HydrophobicContact CD2-CH2 4.22Å; L283-W307 HydrophobicContact CG-CZ2 4.48Å; I285-W307 HydrophobicContact CB-CD2 4.48Å; I285-W307 HydrophobicContact CB-CG 4.36Å; I285-W307 HydrophobicContact CD1-CD2 3.88Å; I285-W307 HydrophobicContact CD1-CE3 4.1Å; I285-W307 HydrophobicContact CD1-CG 4.39Å; I285-W307 HydrophobicContact CD1-CH2 4.3Å; I285-W307 HydrophobicContact CD1-CZ2 4.07Å; I285-W307 HydrophobicContact CD1-CZ3 4.31Å; I285-W307 HydrophobicContact CG1-CD2 4.35Å; I285-W307 HydrophobicContact CG1-CZ2 4.05Å; S301-W307 PolarHBondContact O-NE1 2.84Å; S302-W307 WeakPolarHBondContact O-CZ2 3.42Å; R303-W307 PolarHBondContact O-N 3.35Å; Y304-W307 HydrophobicContact CD1-CD2 4.28Å; Y304-W307 AromaticContact CD1-CE3 3.7Å; Y304-W307 HydrophobicContact CD1-CE3 3.7Å; Y304-W307 AromaticContact CD1-CH2 3.91Å; Y304-W307 HydrophobicContact CD1-CH2 3.91Å; Y304-W307 HydrophobicContact CD1-CZ2 4.47Å; Y304-W307 AromaticContact CD1-CZ3 3.48Å; Y304-W307 HydrophobicContact CD1-CZ3 3.48Å; Y304-W307 VanDerWaalsContact CD1-CZ3 3.48Å; Y304-W307 HydrophobicContact CE1-CE3 4.19Å; Y304-W307 AromaticContact CE1-CH2 3.76Å; Y304-W307 HydrophobicContact CE1-CH2 3.76Å; Y304-W307 AromaticContact CE1-CZ3 3.5Å; Y304-W307 HydrophobicContact CE1-CZ3 3.5Å; Y304-W307 VanDerWaalsContact CE1-CZ3 3.5Å; Y304-W307 WeakPolarHBondContact O-CB 3.42Å; Y304-W307 PolarHBondContact O-N 3.09Å; S305-W307 VanDerWaalsContact C-N 3.27Å; W307-Q309 VanDerWaalsContact C-N 3.34Å; W307-L310 HydrophobicContact CB-CD2 4.43Å; W307-L310 WeakPolarHBondContact O-CG 3.07Å; W307-V311 WeakPolarHBondContact O-CG2 2.78Å; W307-V311 PolarHBondContact O-N 2.87Å
308D97.7Very high96.9Very high79 Ų7953.8 Ų53.842%0.42228%0.281SS..Hα-helixtrans-68-39.7170.3-67.6-41.8000111.2K274 Y304 S305 L310 V311 T312K274-D308 IonicContact NZ-OD1 3.76Å; K274-D308 PolarHBondContact NZ-OD1 3.05Å; K274-D308 IonicContact NZ-OD2 3.98Å; K274-D308 PolarHBondContact NZ-OD2 3.2Å; Y304-D308 PolarHBondContact O-N 2.94Å; S305-D308 PolarHBondContact O-N 2.74Å; D308-L310 PolarHBondContact O-N 3.49Å; D308-V311 PolarHBondContact O-N 3.45Å; D308-T312 WeakPolarHBondContact O-CB 3.33Å; D308-T312 PolarHBondContact O-N 2.9Å; D308-T312 PolarHBondContact O-OG1 3.16Å
309Q98.2Very high96.8Very high99 Ų9953.7 Ų53.746%0.46328%0.279SS..Hα-helixtrans-65.4-38.6-179.7-168.462.34800111.7S305 D306 W307 T312 N313S305-Q309 WeakPolarHBondContact O-CB 3.35Å; S305-Q309 PolarHBondContact O-N 3.07Å; D306-Q309 PolarHBondContact O-N 3.24Å; W307-Q309 VanDerWaalsContact C-N 3.34Å; Q309-T312 PolarHBondContact O-N 3.22Å; Q309-N313 PolarHBondContact NE2-OD1 2.88Å; Q309-N313 VanDerWaalsContact O-CB 3.31Å; Q309-N313 WeakPolarHBondContact O-CB 3.44Å; Q309-N313 PolarHBondContact O-N 3.4Å; Q309-N313 PolarHBondContact O-ND2 3.25Å; Q309-N313 PolarHBondContact O-OD1 3.22Å
310L97.9Very high96.6Very high1 Ų154.6 Ų54.61%0.00528%0.279CS..Hα-helixtrans-65.3-39.1176.475.485.5000112.1L266 I285 S287 D306 W307 D308 N313 Y314L266-L310 HydrophobicContact CD2-CD1 4.09Å; I285-L310 HydrophobicContact CG2-CD2 3.73Å; S287-L310 WeakPolarHBondContact OG-CB 3.13Å; D306-L310 PolarHBondContact O-N 2.74Å; W307-L310 HydrophobicContact CB-CD2 4.43Å; W307-L310 WeakPolarHBondContact O-CG 3.07Å; D308-L310 PolarHBondContact O-N 3.49Å; L310-N313 PolarHBondContact O-N 2.95Å; L310-Y314 PolarHBondContact O-N 2.91Å
311V98.1Very high96.3Very high9 Ų959.8 Ų59.86%0.05531%0.307CS..Hα-helixtrans-65-43.7175.8176.50000110.1L266 I270 W307 D308 Y314 R315L266-V311 HydrophobicContact CD2-CG2 4.23Å; L266-V311 HydrophobicContact CG-CG2 4.13Å; I270-V311 HydrophobicContact CB-CG2 4.29Å; I270-V311 HydrophobicContact CG1-CG2 3.78Å; W307-V311 WeakPolarHBondContact O-CG2 2.78Å; W307-V311 PolarHBondContact O-N 2.87Å; D308-V311 PolarHBondContact O-N 3.45Å; V311-Y314 PolarHBondContact O-N 3.4Å; V311-R315 WeakPolarHBondContact O-CB 3.41Å; V311-R315 PolarHBondContact O-N 3.02Å
312T98.5Very high96.2Very high58 Ų5861 Ų6136%0.35631%0.311SS..Hα-helixtrans-61.9-45.2177-59.50000111.7D308 Q309 Y314 R315 N316D308-T312 WeakPolarHBondContact O-CB 3.33Å; D308-T312 PolarHBondContact O-N 2.9Å; D308-T312 PolarHBondContact O-OG1 3.16Å; Q309-T312 PolarHBondContact O-N 3.22Å; T312-Y314 VanDerWaalsContact C-N 3.33Å; T312-Y314 PolarHBondContact O-N 3.48Å; T312-R315 PolarHBondContact O-N 3.27Å; T312-N316 WeakPolarHBondContact CG2-ND2 3.31Å; T312-N316 WeakPolarHBondContact O-CB 3.45Å; T312-N316 VanDerWaalsContact O-CG 3.28Å; T312-N316 PolarHBondContact O-N 3.3Å; T312-N316 PolarHBondContact O-ND2 2.7Å
313N98.3Very high96.2Very high47 Ų4762.1 Ų62.125%0.25131%0.313SS..Hα-helixtrans-62.9-41.2177.2-71.9-8.1000111.3Q309 L310 A317Q309-N313 PolarHBondContact NE2-OD1 2.88Å; Q309-N313 VanDerWaalsContact O-CB 3.31Å; Q309-N313 WeakPolarHBondContact O-CB 3.44Å; Q309-N313 PolarHBondContact O-N 3.4Å; Q309-N313 PolarHBondContact O-ND2 3.25Å; Q309-N313 PolarHBondContact O-OD1 3.22Å; L310-N313 PolarHBondContact O-N 2.95Å; N313-A317 WeakPolarHBondContact O-CB 3.17Å; N313-A317 PolarHBondContact O-N 3.44Å; N313-A317 VanDerWaalsContact O-N 3.1Å
314Y98.4Very high96.3Very high0 Ų055.8 Ų55.80%029%0.29CS..Hα-helixtrans-63.6-49.2174.1-175.8-134.1000110.6L238 D239 N240 K259 S262 V263 L266 V289 L310 V311 T312 N316 A317L238-Y314 HydrophobicContact CB-CD2 3.9Å; L238-Y314 HydrophobicContact CB-CE1 4.41Å; L238-Y314 HydrophobicContact CB-CE2 3.61Å; L238-Y314 HydrophobicContact CB-CG 4.43Å; L238-Y314 HydrophobicContact CD1-CD1 3.91Å; L238-Y314 HydrophobicContact CD1-CD2 4.03Å; L238-Y314 HydrophobicContact CD1-CE1 4.34Å; L238-Y314 HydrophobicContact CD1-CE2 4.43Å; L238-Y314 HydrophobicContact CD1-CG 3.76Å; D239-Y314 WeakPolarHBondContact O-CE2 3.43Å; D239-Y314 PolarHBondContact O-OH 2.9Å; N240-Y314 HydrophobicContact CB-CE2 4.32Å; K259-Y314 HydrophobicContact CD-CE2 4.41Å; K259-Y314 WeakPolarHBondContact CE-O 3.34Å; K259-Y314 VanDerWaalsContact NZ-CZ 3.33Å; K259-Y314 PolarHBondContact NZ-O 3.37Å; S262-Y314 WeakPolarHBondContact CB-OH 3.43Å; V263-Y314 HydrophobicContact CB-CD1 4.36Å; V263-Y314 HydrophobicContact CB-CE1 4.47Å; V263-Y314 HydrophobicContact CG2-CD1 3.56Å; V263-Y314 HydrophobicContact CG2-CE1 3.62Å; V263-Y314 HydrophobicContact CG2-CG 4.32Å; L266-Y314 HydrophobicContact CD2-CD1 3.91Å; V289-Y314 HydrophobicContact CB-CD2 4.42Å; V289-Y314 HydrophobicContact CG1-CD2 3.77Å; V289-Y314 HydrophobicContact CG1-CE2 4.19Å; V289-Y314 HydrophobicContact CG2-CD2 3.77Å; V289-Y314 HydrophobicContact CG2-CG 4.35Å; L310-Y314 PolarHBondContact O-N 2.91Å; V311-Y314 PolarHBondContact O-N 3.4Å; T312-Y314 VanDerWaalsContact C-N 3.33Å; T312-Y314 PolarHBondContact O-N 3.48Å; Y314-N316 VanDerWaalsContact C-N 3.29Å; Y314-N316 PolarHBondContact O-N 3.24Å; Y314-A317 PolarHBondContact O-N 2.94Å
315R98.3Very high96.3Very high113 Ų11352.7 Ų52.743%0.42628%0.278SS..Hα-helixtrans-55-42.9178.8-172175.9-67.9-83.46.5112.7V263 D264 V311 T312V263-R315 HydrophobicContact CG1-CB 3.69Å; V263-R315 HydrophobicContact CG1-CG 3.9Å; V263-R315 HydrophobicContact CG2-CB 4.45Å; D264-R315 IonicContact OD1-CZ 3.39Å; D264-R315 IonicContact OD1-NH1 3.82Å; D264-R315 PolarHBondContact OD1-NH1 2.86Å; D264-R315 IonicContact OD1-NH2 3.55Å; D264-R315 PolarHBondContact OD1-NH2 3.36Å; V311-R315 WeakPolarHBondContact O-CB 3.41Å; V311-R315 PolarHBondContact O-N 3.02Å; T312-R315 PolarHBondContact O-N 3.27Å
316N97.9Very high96.4Very high117 Ų11750.1 Ų50.163%0.62626%0.26SS*.Hα-helixtrans-86.7-10.7-173.9-65.2-18.8000114.2T312 Y314 S318T312-N316 WeakPolarHBondContact CG2-ND2 3.31Å; T312-N316 WeakPolarHBondContact O-CB 3.45Å; T312-N316 VanDerWaalsContact O-CG 3.28Å; T312-N316 PolarHBondContact O-N 3.3Å; T312-N316 PolarHBondContact O-ND2 2.7Å; Y314-N316 VanDerWaalsContact C-N 3.29Å; Y314-N316 PolarHBondContact O-N 3.24Å; N316-S318 PolarHBondContact O-N 3.35Å
317A97.4Very high96.4Very high16 Ų1647.6 Ų47.613%0.13225%0.246CC..SBendtrans-67.5119179.200000110.6N240 V289 I295 N313 Y314N240-A317 WeakPolarHBondContact ND2-CB 3.36Å; N240-A317 PolarHBondContact ND2-O 3.3Å; V289-A317 HydrophobicContact CG1-CB 4.11Å; I295-A317 HydrophobicContact CG2-CB 4.06Å; N313-A317 WeakPolarHBondContact O-CB 3.17Å; N313-A317 PolarHBondContact O-N 3.44Å; N313-A317 VanDerWaalsContact O-N 3.1Å; Y314-A317 PolarHBondContact O-N 2.94Å
318S96.2Very high96.5Very high70 Ų7047.6 Ų47.649%0.4925%0.246SC..  trans-60.9137.5175.1-178.60000111N240 N316 Q320 H322N240-S318 PolarHBondContact ND2-O 3Å; N316-S318 PolarHBondContact O-N 3.35Å; S318-Q320 WeakPolarHBondContact OG-CB 3.29Å; S318-Q320 PolarHBondContact OG-N 3.44Å; S318-H322 PolarHBondContact O-CD2 2.88Å; S318-H322 PolarHBondContact O-NE2 2.65Å
319T95.8Very high96.5Very high18 Ų1843.8 Ų43.811%0.1123%0.226CC..  trans-92.1-3.7171.655.70000112.5N240 A242 T245 K259 N321 H322N240-T319 WeakPolarHBondContact OD1-CG2 3.26Å; A242-T319 WeakPolarHBondContact CA-O 3.18Å; T245-T319 HydrophobicContact CG2-CG2 3.94Å; T245-T319 WeakPolarHBondContact CG2-OG1 3.29Å; T245-T319 PolarHBondContact OG1-OG1 2.86Å; K259-T319 HydrophobicContact CD-CG2 4.47Å; T319-N321 PolarHBondContact O-N 2.89Å; T319-H322 PolarHBondContact O-N 3.21Å
320Q91.7Very high96.5Very high138 Ų13839.1 Ų39.165%0.64520%0.204SC*.THydrogen-bonded Turntrans-62.8129.8-170.6-169.6-176.2-4.300112S318 H322S318-Q320 WeakPolarHBondContact OG-CB 3.29Å; S318-Q320 PolarHBondContact OG-N 3.44Å; Q320-H322 PolarHBondContact O-N 3.4Å; Q320-H322 VanDerWaalsContact O-N 3.08Å
321N88.9Confident96.5Very high136 Ų13639.5 Ų39.573%0.72721%0.206SC*.THydrogen-bonded Turntrans56.321.8177.2-56.1-33.9000114.1T319T319-N321 PolarHBondContact O-N 2.89Å
322H93.2Very high96.5Very high43 Ų4340.6 Ų40.620%0.19921%0.211CC..  trans-89126174.1-73.6-52.4000111.7A242 T292 S318 T319 Q320A242-H322 VanDerWaalsContact CB-O 3.32Å; A242-H322 WeakPolarHBondContact CB-O 3.37Å; A242-H322 PolarHBondContact N-O 2.86Å; T292-H322 WeakPolarHBondContact OG1-CA 3.24Å; S318-H322 PolarHBondContact O-CD2 2.88Å; S318-H322 PolarHBondContact O-NE2 2.65Å; T319-H322 PolarHBondContact O-N 3.21Å; Q320-H322 PolarHBondContact O-N 3.4Å; Q320-H322 VanDerWaalsContact O-N 3.08Å
323Q93.9Very high96.5Very high49 Ų4937.9 Ų37.923%0.22919%0.194CC..  trans-80.2-172.7163.6-75.7-176.6-77.100109.9S241 G291 T292 N357 R358S241-Q323 WeakPolarHBondContact CB-O 3.47Å; G291-Q323 CarbonylContact C-O 3.55Å; G291-Q323 WeakPolarHBondContact CA-O 3.43Å; T292-Q323 PolarHBondContact N-O 3.35Å; T292-Q323 PolarHBondContact OG1-N 3.27Å; Q323-N357 VanDerWaalsContact CB-OD1 3.32Å; Q323-N357 WeakPolarHBondContact CB-OD1 3.28Å; Q323-R358 HydrophobicContact CB-CG 4.29Å
324T95.4Very high96.5Very high4 Ų437.1 Ų37.13%0.02519%0.189CC..  trans-120.192.8-170.6-48.20000110.1S241 F290 A355 P356 N357 R358S241-T324 WeakPolarHBondContact CB-OG1 3.38Å; S241-T324 PolarHBondContact OG-OG1 2.96Å; F290-T324 HydrophobicContact CE2-CG2 4.1Å; T324-A355 WeakPolarHBondContact CB-O 3.48Å; T324-P356 CarbonylContact O-C 2.8Å; T324-P356 VanDerWaalsContact O-CA 3.31Å; T324-P356 WeakPolarHBondContact O-CA 2.98Å; T324-N357 PolarHBondContact N-OD1 3.07Å; T324-N357 PolarHBondContact O-N 2.86Å; T324-R358 PolarHBondContact O-N 3.05Å
325Y97Very high96.4Very high1 Ų141.5 Ų41.50%0.00421%0.208CC..  trans-101.861178.9-176.1-149.9000111.4G291 T292 Q327 G328 G329 R358 K360 D390G291-Y325 WeakPolarHBondContact O-CB 3.41Å; G291-Y325 PolarHBondContact O-N 2.9Å; T292-Y325 WeakPolarHBondContact O-CB 3.27Å; T292-Y325 WeakPolarHBondContact O-CD1 3.4Å; Y325-Q327 HydrophobicContact CD2-CB 4.2Å; Y325-Q327 HydrophobicContact CE2-CB 3.91Å; Y325-Q327 PolarHBondContact O-N 3.42Å; Y325-G328 VanDerWaalsContact CE1-CA 3.43Å; Y325-G328 VanDerWaalsContact CE2-N 3.28Å; Y325-G328 VanDerWaalsContact CZ-CA 3.4Å; Y325-G328 PolarHBondContact O-N 3.29Å; Y325-G329 PolarHBondContact O-N 3.01Å; Y325-R358 HydrophobicContact CD2-CB 4.14Å; Y325-R358 WeakPolarHBondContact CD2-O 3.48Å; Y325-R358 HydrophobicContact CG-CB 4.21Å; Y325-K360 WeakPolarHBondContact OH-CG 3.5Å; Y325-D390 VanDerWaalsContact CE1-O 3.26Å; Y325-D390 WeakPolarHBondContact CE1-O 3.39Å; Y325-D390 PolarHBondContact OH-O 2.78Å
326T97.5Very high96.2Very high0 Ų038.1 Ų38.10%020%0.195CC..Hα-helixtrans-52.6-40.4-178.6-50.20000112.4F290 G328 G329 L330 L350 M486F290-T326 HydrophobicContact CZ-CG2 4.26Å; T326-G328 VanDerWaalsContact C-N 3.29Å; T326-G328 PolarHBondContact O-N 3.24Å; T326-G329 PolarHBondContact O-N 2.93Å; T326-G329 VanDerWaalsContact O-N 3.13Å; T326-L330 WeakPolarHBondContact O-CG 3.17Å; T326-L330 PolarHBondContact O-N 3.31Å; T326-L350 HydrophobicContact CG2-CD1 4.14Å; T326-L350 HydrophobicContact CG2-CD2 4.22Å; T326-M486 HydrophobicContact CG2-SD 4.41Å
327Q98Very high96.1Very high0 Ų032.5 Ų32.50%017%0.166CC..Hα-helixtrans-57.7-40.6176.5-171.2-161.127.600112.3Y325 G329 L330 I331 Y381 Q448Y325-Q327 HydrophobicContact CD2-CB 4.2Å; Y325-Q327 HydrophobicContact CE2-CB 3.91Å; Y325-Q327 PolarHBondContact O-N 3.42Å; Q327-G329 VanDerWaalsContact C-N 3.34Å; Q327-G329 PolarHBondContact O-N 3.06Å; Q327-L330 PolarHBondContact O-N 3.32Å; Q327-I331 HydrophobicContact CG-CD1 4.09Å; Q327-I331 VanDerWaalsContact O-CG1 3.3Å; Q327-I331 WeakPolarHBondContact O-CG1 3.38Å; Q327-I331 PolarHBondContact O-N 2.91Å; Q327-Y381 PolarHBondContact NE2-OH 2.94Å; Q327-Q448 HydrophobicContact CG-CB 3.86Å; Q327-Q448 HydrophobicContact CG-CG 4.24Å
328G97.8Very high95.9Very high1 Ų134.9 Ų34.91%0.0118%0.176CC..Hα-helixtrans-63.2-41176.800000112.4Y325 T326 L330 I331 E332Y325-G328 VanDerWaalsContact CE1-CA 3.43Å; Y325-G328 VanDerWaalsContact CE2-N 3.28Å; Y325-G328 VanDerWaalsContact CZ-CA 3.4Å; Y325-G328 PolarHBondContact O-N 3.29Å; T326-G328 VanDerWaalsContact C-N 3.29Å; T326-G328 PolarHBondContact O-N 3.24Å; G328-L330 VanDerWaalsContact C-N 3.35Å; G328-L330 PolarHBondContact O-N 2.99Å; G328-I331 PolarHBondContact O-N 2.96Å; G328-E332 PolarHBondContact O-N 3.44Å
329G98.2Very high95.7Very high0 Ų035.7 Ų35.70%019%0.186CC..Hα-helixtrans-58.2-45.8172.500000112.3Y325 T326 Q327 E332 A333Y325-G329 PolarHBondContact O-N 3.01Å; T326-G329 PolarHBondContact O-N 2.93Å; T326-G329 VanDerWaalsContact O-N 3.13Å; Q327-G329 VanDerWaalsContact C-N 3.34Å; Q327-G329 PolarHBondContact O-N 3.06Å; G329-E332 PolarHBondContact O-N 3.01Å; G329-A333 VanDerWaalsContact O-CB 3.31Å; G329-A333 WeakPolarHBondContact O-CB 3.41Å; G329-A333 PolarHBondContact O-N 3.07Å
330L98.6Very high95.2Very high0 Ų037.4 Ų37.40%020%0.195CC..Hα-helixtrans-66.3-39.5177.3-63.9176.1000112.9T326 Q327 G328 A333 Q334 L348 Q448 A449 L452T326-L330 WeakPolarHBondContact O-CG 3.17Å; T326-L330 PolarHBondContact O-N 3.31Å; Q327-L330 PolarHBondContact O-N 3.32Å; G328-L330 VanDerWaalsContact C-N 3.35Å; G328-L330 PolarHBondContact O-N 2.99Å; L330-A333 PolarHBondContact O-N 2.93Å; L330-Q334 WeakPolarHBondContact O-CB 3.48Å; L330-Q334 PolarHBondContact O-N 3.46Å; L330-L348 HydrophobicContact CD2-CD1 3.85Å; L330-L348 HydrophobicContact CD2-CD2 3.92Å; L330-Q448 HydrophobicContact CB-CB 4.45Å; L330-Q448 HydrophobicContact CB-CG 3.64Å; L330-Q448 HydrophobicContact CD1-CB 4.44Å; L330-Q448 HydrophobicContact CD1-CG 4.47Å; L330-A449 HydrophobicContact CD1-CB 4.18Å; L330-L452 HydrophobicContact CB-CD1 4.38Å
331I98.3Very high94.6Very high10 Ų1038.6 Ų38.65%0.05121%0.205CC..Hα-helixtrans-60.5-48.8175.8-70.7161000110.5Q327 G328 Q334 K335 K360 D390 Q448Q327-I331 HydrophobicContact CG-CD1 4.09Å; Q327-I331 VanDerWaalsContact O-CG1 3.3Å; Q327-I331 WeakPolarHBondContact O-CG1 3.38Å; Q327-I331 PolarHBondContact O-N 2.91Å; G328-I331 PolarHBondContact O-N 2.96Å; I331-Q334 WeakPolarHBondContact O-CB 3.29Å; I331-Q334 PolarHBondContact O-N 3.1Å; I331-K335 HydrophobicContact CG2-CD 4.43Å; I331-K335 WeakPolarHBondContact O-CG 3.02Å; I331-K335 PolarHBondContact O-N 3.38Å; I331-K360 HydrophobicContact CD1-CD 3.59Å; I331-K360 HydrophobicContact CD1-CG 4.31Å; I331-D390 HydrophobicContact CG2-CB 3.72Å; I331-Q448 HydrophobicContact CG1-CG 3.92Å
332E98Very high94.2Very high32 Ų3234.2 Ų34.215%0.1518%0.182CC..Hα-helixtrans-66.5-39.8-178.9-17662.3-163.600111.5V288 V294 T297 G328 G329 Q334 K335 R336V288-E332 HydrophobicContact CG1-CB 4.02Å; V288-E332 HydrophobicContact CG1-CG 4.1Å; V288-E332 HydrophobicContact CG2-CB 4.15Å; V288-E332 HydrophobicContact CG2-CG 3.82Å; V294-E332 HydrophobicContact CG1-CG 4.24Å; V294-E332 HydrophobicContact CG2-CB 4.03Å; V294-E332 HydrophobicContact CG2-CG 4.43Å; T297-E332 HydrophobicContact CG2-CG 3.82Å; G328-E332 PolarHBondContact O-N 3.44Å; G329-E332 PolarHBondContact O-N 3.01Å; E332-Q334 VanDerWaalsContact C-N 3.35Å; E332-Q334 PolarHBondContact O-N 3.14Å; E332-K335 PolarHBondContact O-N 2.78Å; E332-R336 WeakPolarHBondContact O-CG 3.3Å; E332-R336 PolarHBondContact O-N 2.9Å; E332-R336 IonicContact OE1-CZ 2.68Å; E332-R336 IonicContact OE1-NE 3.38Å; E332-R336 PolarHBondContact OE1-NE 3Å; E332-R336 IonicContact OE1-NH2 3.09Å; E332-R336 PolarHBondContact OE1-NH2 3.29Å; E332-R336 VanDerWaalsContact OE1-NH2 3.13Å
333A98.3Very high93.4Very high0 Ų035 Ų350%020%0.202CC..Hα-helixtrans-60.5-43.8173.900000111.9M235 V237 V288 G329 L330 K335 R336 L337 L348M235-A333 HydrophobicContact CG-CB 3.65Å; V237-A333 HydrophobicContact CG2-CB 3.48Å; V237-A333 VanDerWaalsContact CG2-CB 3.48Å; V288-A333 HydrophobicContact CG2-CB 4.29Å; G329-A333 VanDerWaalsContact O-CB 3.31Å; G329-A333 WeakPolarHBondContact O-CB 3.41Å; G329-A333 PolarHBondContact O-N 3.07Å; L330-A333 PolarHBondContact O-N 2.93Å; A333-K335 PolarHBondContact O-N 2.98Å; A333-R336 PolarHBondContact O-N 3.44Å; A333-L337 WeakPolarHBondContact O-CB 3.17Å; A333-L337 WeakPolarHBondContact O-CG 3.49Å; A333-L337 PolarHBondContact O-N 3.42Å; A333-L348 HydrophobicContact CB-CD1 3.53Å; A333-L348 HydrophobicContact CB-CG 4.45Å
334Q97.3Very high93Very high32 Ų3233.9 Ų33.915%0.1520%0.196CC..Hα-helixtrans-58.5-47.5175.4-173.6-176-96.600111.4L330 I331 E332 R336 L337 L338 L452L330-Q334 WeakPolarHBondContact O-CB 3.48Å; L330-Q334 PolarHBondContact O-N 3.46Å; I331-Q334 WeakPolarHBondContact O-CB 3.29Å; I331-Q334 PolarHBondContact O-N 3.1Å; E332-Q334 VanDerWaalsContact C-N 3.35Å; E332-Q334 PolarHBondContact O-N 3.14Å; Q334-R336 VanDerWaalsContact C-N 3.28Å; Q334-R336 PolarHBondContact O-N 3.47Å; Q334-L337 PolarHBondContact O-N 3.33Å; Q334-L338 HydrophobicContact CG-CD1 3.67Å; Q334-L338 HydrophobicContact CG-CG 4.44Å; Q334-L338 WeakPolarHBondContact O-CB 3.44Å; Q334-L338 VanDerWaalsContact O-CG 3.25Å; Q334-L338 WeakPolarHBondContact O-CG 3.39Å; Q334-L338 PolarHBondContact O-N 2.64Å; Q334-L452 HydrophobicContact CB-CD1 3.86Å; Q334-L452 HydrophobicContact CB-CD2 4.21Å; Q334-L452 HydrophobicContact CB-CG 3.83Å; Q334-L452 HydrophobicContact CG-CD1 4.23Å; Q334-L452 HydrophobicContact CG-CG 4.02Å
335K96.2Very high92.4Very high91 Ų9137.6 Ų37.640%0.39621%0.209SC..Hα-helixtrans-57.8-43.1178.9-71.6174.2-178.7-179.50111.7I331 E332 A333 L338 A339 D390I331-K335 HydrophobicContact CG2-CD 4.43Å; I331-K335 WeakPolarHBondContact O-CG 3.02Å; I331-K335 PolarHBondContact O-N 3.38Å; E332-K335 PolarHBondContact O-N 2.78Å; A333-K335 PolarHBondContact O-N 2.98Å; K335-L338 PolarHBondContact O-N 3.32Å; K335-A339 PolarHBondContact O-N 3.39Å; K335-D390 WeakPolarHBondContact CE-OD2 3.41Å; K335-D390 IonicContact NZ-OD2 2.71Å; K335-D390 PolarHBondContact NZ-OD2 2.7Å
336R95.7Very high92.1Very high42 Ų4238.4 Ų38.416%0.15821%0.212CC..Hα-helixtrans-73.4-43.7-177.3-70.9175.7172.9-74-20112.8M235 T297 S298 N299 E332 A333 Q334 L338 A339M235-R336 HydrophobicContact CE-CB 3.54Å; M235-R336 HydrophobicContact CE-CG 4.48Å; T297-R336 PolarHBondContact OG1-NH2 3.17Å; T297-R336 VanDerWaalsContact OG1-NH2 3.13Å; S298-R336 PolarHBondContact O-NH1 2.96Å; S298-R336 VanDerWaalsContact O-NH1 3.1Å; N299-R336 PolarHBondContact OD1-NH1 3.49Å; E332-R336 WeakPolarHBondContact O-CG 3.3Å; E332-R336 PolarHBondContact O-N 2.9Å; E332-R336 IonicContact OE1-CZ 2.68Å; E332-R336 IonicContact OE1-NE 3.38Å; E332-R336 PolarHBondContact OE1-NE 3Å; E332-R336 IonicContact OE1-NH2 3.09Å; E332-R336 PolarHBondContact OE1-NH2 3.29Å; E332-R336 VanDerWaalsContact OE1-NH2 3.13Å; A333-R336 PolarHBondContact O-N 3.44Å; Q334-R336 VanDerWaalsContact C-N 3.28Å; Q334-R336 PolarHBondContact O-N 3.47Å; R336-L338 PolarHBondContact O-N 2.79Å; R336-A339 WeakPolarHBondContact O-CB 3.42Å; R336-A339 PolarHBondContact O-N 2.7Å
337L95.2Very high91.8Very high0 Ų038.4 Ų38.40%021%0.212CC..Hα-helixtrans-62.3-31.1175.2-78172.5000111.4D233 M235 L300 A333 Q334 K346 L348 I457D233-L337 HydrophobicContact CB-CD2 3.94Å; M235-L337 HydrophobicContact CB-CD1 3.85Å; M235-L337 HydrophobicContact CB-CD2 3.83Å; M235-L337 HydrophobicContact CB-CG 3.75Å; M235-L337 HydrophobicContact CG-CG 4.4Å; L300-L337 HydrophobicContact CD1-CD2 4.39Å; L300-L337 HydrophobicContact CD2-CD2 4.49Å; A333-L337 WeakPolarHBondContact O-CB 3.17Å; A333-L337 WeakPolarHBondContact O-CG 3.49Å; A333-L337 PolarHBondContact O-N 3.42Å; Q334-L337 PolarHBondContact O-N 3.33Å; L337-K346 HydrophobicContact CB-CD 4.32Å; L337-K346 HydrophobicContact CD2-CB 4.21Å; L337-K346 WeakPolarHBondContact O-CD 3.4Å; L337-K346 WeakPolarHBondContact O-CE 3.35Å; L337-K346 PolarHBondContact O-NZ 3.15Å; L337-L348 HydrophobicContact CD1-CB 4.35Å; L337-I457 HydrophobicContact CB-CD1 4.14Å; L337-I457 HydrophobicContact CD1-CD1 3.95Å; L337-I457 HydrophobicContact CD1-CG1 4.32Å; L337-I457 HydrophobicContact CD1-CG2 3.75Å
338L93.5Very high91.7Very high66 Ų6638.4 Ų38.435%0.34621%0.212SC..THydrogen-bonded Turntrans-1028.9-177.9-57.1177.3000114.2Q334 K335 R336 D340 K346 K455 I457Q334-L338 HydrophobicContact CG-CD1 3.67Å; Q334-L338 HydrophobicContact CG-CG 4.44Å; Q334-L338 WeakPolarHBondContact O-CB 3.44Å; Q334-L338 VanDerWaalsContact O-CG 3.25Å; Q334-L338 WeakPolarHBondContact O-CG 3.39Å; Q334-L338 PolarHBondContact O-N 2.64Å; K335-L338 PolarHBondContact O-N 3.32Å; R336-L338 PolarHBondContact O-N 2.79Å; L338-D340 PolarHBondContact O-N 2.73Å; L338-K346 HydrophobicContact CD2-CD 4.19Å; L338-K455 HydrophobicContact CD1-CB 4.42Å; L338-K455 HydrophobicContact CD1-CD 3.28Å; L338-K455 HydrophobicContact CD1-CG 4.46Å; L338-I457 HydrophobicContact CD2-CD1 4.3Å; L338-I457 HydrophobicContact CG-CD1 4.35Å
339A91.7Very high91.6Very high86 Ų8638.3 Ų38.371%0.71121%0.212SC*.SBendtrans-63.3-29.9179.100000112.1K335 R336K335-A339 PolarHBondContact O-N 3.39Å; R336-A339 WeakPolarHBondContact O-CB 3.42Å; R336-A339 PolarHBondContact O-N 2.7Å
340D85.5Confident91.6Very high54 Ų5438.3 Ų38.329%0.28921%0.212SC..SBendtrans-125140171.261.2-2.8000112.5R284 L338 N342 K346R284-D340 IonicContact CZ-OD2 3.27Å; R284-D340 IonicContact NH1-OD2 3.77Å; R284-D340 PolarHBondContact NH1-OD2 2.89Å; R284-D340 IonicContact NH2-OD1 3.79Å; R284-D340 PolarHBondContact NH2-OD1 2.87Å; R284-D340 IonicContact NH2-OD2 2.65Å; R284-D340 PolarHBondContact NH2-OD2 2.89Å; L338-D340 PolarHBondContact O-N 2.73Å; D340-N342 PolarHBondContact OD1-ND2 2.91Å; D340-N342 PolarHBondContact OD2-ND2 3.33Å; D340-K346 PolarHBondContact O-NZ 3.49Å
341N78.2Confident91.4Very high163 Ų16338.4 Ų38.487%0.87221%0.212SC*.  trans-98.990.2172.1-171.524.2000109
342N80Confident91.2Very high45 Ų4538 Ų3824%0.24121%0.21CC..SBendtrans-120.76.7-171.356.619.9000113P230 R284 D340 R344P230-N342 WeakPolarHBondContact CB-O 3.11Å; P230-N342 WeakPolarHBondContact CG-O 3.46Å; R284-N342 PolarHBondContact NH2-ND2 3.27Å; D340-N342 PolarHBondContact OD1-ND2 2.91Å; D340-N342 PolarHBondContact OD2-ND2 3.33Å; N342-R344 HydrophobicContact CB-CG 4.21Å; N342-R344 VanDerWaalsContact CG-CD 3.44Å; N342-R344 VanDerWaalsContact CG-CG 3.4Å; N342-R344 WeakPolarHBondContact ND2-CD 3.47Å; N342-R344 PolarHBondContact O-N 3.03Å; N342-R344 VanDerWaalsContact O-N 3.13Å; N342-R344 WeakPolarHBondContact OD1-CB 3.45Å; N342-R344 WeakPolarHBondContact OD1-CG 3.46Å; N342-R344 PolarHBondContact OD1-N 3.35Å
343G78.2Confident90.9Very high59 Ų5936.4 Ų36.461%0.60820%0.203SC*.  trans66.84.3-176.400000115.1P230P230-G343 WeakPolarHBondContact CG-O 3.45Å
344R85.2Confident90.1Very high26 Ų2636.4 Ų36.410%0.09820%0.203CC..  trans-63.8143.5178.4-66177.275.398.8-4.1110.5P230 G231 V232 D233 G281 Y282 N342 K346P230-R344 HydrophobicContact CB-CG 3.89Å; P230-R344 HydrophobicContact CG-CG 4.27Å; P230-R344 WeakPolarHBondContact O-CG 3.44Å; P230-R344 PolarHBondContact O-NH1 3.11Å; G231-R344 VanDerWaalsContact O-CA 3.31Å; G231-R344 WeakPolarHBondContact O-CA 3.39Å; G231-R344 VanDerWaalsContact O-CB 3.28Å; G231-R344 WeakPolarHBondContact O-CB 3.48Å; V232-R344 PolarHBondContact O-NH2 2.99Å; D233-R344 WeakPolarHBondContact OD1-CD 3.39Å; D233-R344 IonicContact OD1-CZ 3.84Å; D233-R344 IonicContact OD1-NE 3.63Å; D233-R344 PolarHBondContact OD1-NE 3.47Å; D233-R344 IonicContact OD1-NH2 3.64Å; D233-R344 IonicContact OD2-NE 3.09Å; G281-R344 VanDerWaalsContact O-CZ 3.25Å; G281-R344 PolarHBondContact O-NH1 3.29Å; G281-R344 PolarHBondContact O-NH2 3.48Å; Y282-R344 VanDerWaalsContact C-NH2 3.35Å; Y282-R344 PolarHBondContact O-NH2 3.3Å; N342-R344 HydrophobicContact CB-CG 4.21Å; N342-R344 VanDerWaalsContact CG-CD 3.44Å; N342-R344 VanDerWaalsContact CG-CG 3.4Å; N342-R344 WeakPolarHBondContact ND2-CD 3.47Å; N342-R344 PolarHBondContact O-N 3.03Å; N342-R344 VanDerWaalsContact O-N 3.13Å; N342-R344 WeakPolarHBondContact OD1-CB 3.45Å; N342-R344 WeakPolarHBondContact OD1-CG 3.46Å; N342-R344 PolarHBondContact OD1-N 3.35Å; R344-K346 VanDerWaalsContact O-CG 3.26Å; R344-K346 WeakPolarHBondContact O-CG 3.38Å
345R83.1Confident89.8Confident81 Ų8135.4 Ų35.431%0.30620%0.2SC..EExtended strand (participates in β ladder)trans-68.2135.2169-179.9177.8-179.6-165.9-0.3108.6G231 V232 D233 F347 E458 R626G231-R345 PolarHBondContact O-N 2.92Å; G231-R345 VanDerWaalsContact O-N 3.12Å; V232-R345 WeakPolarHBondContact CA-O 3.37Å; V232-R345 HydrophobicContact CG2-CB 4.18Å; D233-R345 PolarHBondContact N-O 3.15Å; R345-F347 HydrophobicContact CG-CD2 4.22Å; R345-F347 HydrophobicContact CG-CE2 3.72Å; R345-F347 HydrophobicContact CG-CZ 4.33Å; R345-E458 IonicContact CZ-OE2 3.15Å; R345-E458 IonicContact NE-OE2 3.17Å; R345-E458 IonicContact NH2-OE2 3.17Å; R345-E458 PolarHBondContact NH2-OE2 3.49Å; R345-R626 VanDerWaalsContact NH2-CD 3.35Å
346K90.2Very high89.7Confident18 Ų1831.1 Ų31.18%0.07818%0.181CC..EExtended strand (participates in β ladder)trans-118.6119.8-170.4-54-167.2179.4-1690109.9L337 L338 D340 R344 I457 E458L337-K346 HydrophobicContact CB-CD 4.32Å; L337-K346 HydrophobicContact CD2-CB 4.21Å; L337-K346 WeakPolarHBondContact O-CD 3.4Å; L337-K346 WeakPolarHBondContact O-CE 3.35Å; L337-K346 PolarHBondContact O-NZ 3.15Å; L338-K346 HydrophobicContact CD2-CD 4.19Å; D340-K346 PolarHBondContact O-NZ 3.49Å; R344-K346 VanDerWaalsContact O-CG 3.26Å; R344-K346 WeakPolarHBondContact O-CG 3.38Å; K346-I457 HydrophobicContact CB-CG1 4.02Å; K346-I457 HydrophobicContact CB-CG2 4.48Å; K346-E458 PolarHBondContact O-N 2.73Å
347F90.8Very high89.6Confident0 Ų030.1 Ų30.10%018%0.179CC..EExtended strand (participates in β ladder)trans-112.5143.2173.9-65.3-97.6000110.7V232 D233 V234 M235 R345 E458V232-F347 HydrophobicContact CG1-CD2 3.41Å; V232-F347 VanDerWaalsContact CG1-CD2 3.41Å; V232-F347 HydrophobicContact CG1-CE2 3.5Å; V232-F347 VanDerWaalsContact CG1-CE2 3.5Å; V232-F347 HydrophobicContact CG2-CE2 4.13Å; D233-F347 PolarHBondContact O-N 2.54Å; V234-F347 HydrophobicContact CG2-CB 4.36Å; M235-F347 PolarHBondContact N-O 2.79Å; R345-F347 HydrophobicContact CG-CD2 4.22Å; R345-F347 HydrophobicContact CG-CE2 3.72Å; R345-F347 HydrophobicContact CG-CZ 4.33Å; F347-E458 CarbonylContact C-O 3.57Å; F347-E458 WeakPolarHBondContact CA-O 3.17Å; F347-E458 HydrophobicContact CD1-CB 3.94Å; F347-E458 HydrophobicContact CD1-CG 4.1Å; F347-E458 HydrophobicContact CE1-CB 4.37Å; F347-E458 VanDerWaalsContact CE1-CD 3.41Å; F347-E458 HydrophobicContact CE1-CG 4.32Å; F347-E458 WeakPolarHBondContact CE1-OE1 3.44Å; F347-E458 WeakPolarHBondContact CE1-OE2 3.44Å
348L96.4Very high89.7Confident0 Ų032.8 Ų32.80%019%0.189CC..EExtended strand (participates in β ladder)trans-118.6123.2166.3-171.9155.7000108.5M235 V237 L330 A333 L337 L350 L452 I457 E458 I459 Q460M235-L348 WeakPolarHBondContact O-CA 3.08Å; V237-L348 HydrophobicContact CB-CD2 4.17Å; V237-L348 HydrophobicContact CG2-CD1 3.8Å; V237-L348 HydrophobicContact CG2-CD2 3.8Å; V237-L348 HydrophobicContact CG2-CG 3.74Å; L330-L348 HydrophobicContact CD2-CD1 3.85Å; L330-L348 HydrophobicContact CD2-CD2 3.92Å; A333-L348 HydrophobicContact CB-CD1 3.53Å; A333-L348 HydrophobicContact CB-CG 4.45Å; L337-L348 HydrophobicContact CD1-CB 4.35Å; L348-L350 HydrophobicContact CD2-CB 3.92Å; L348-L452 HydrophobicContact CD1-CD2 3.27Å; L348-I457 HydrophobicContact CB-CG2 4.06Å; L348-E458 PolarHBondContact N-O 2.83Å; L348-I459 HydrophobicContact CB-CG1 4.26Å; L348-I459 HydrophobicContact CD2-CG2 4.02Å; L348-I459 WeakPolarHBondContact O-CA 3.18Å; L348-Q460 PolarHBondContact O-N 2.94Å
349F95.7Very high89.8Confident0 Ų029.6 Ų29.60%017%0.173CC..EExtended strand (participates in β ladder)trans-103.9110.5172-68.1-45.5000109.6V234 M235 F236 V237 Q460 W519 T523V234-F349 HydrophobicContact CB-CE2 4.49Å; V234-F349 HydrophobicContact CG1-CD2 3.29Å; V234-F349 HydrophobicContact CG1-CE2 3.45Å; V234-F349 VanDerWaalsContact CG1-CE2 3.45Å; V234-F349 HydrophobicContact CG1-CG 4.42Å; V234-F349 HydrophobicContact CG2-CE2 4.18Å; M235-F349 PolarHBondContact O-N 3.21Å; F236-F349 CarbonylContact C-O 3.52Å; F236-F349 HydrophobicContact CD1-CB 3.71Å; F236-F349 HydrophobicContact CD1-CD2 4.08Å; F236-F349 HydrophobicContact CD1-CG 4.38Å; F236-F349 HydrophobicContact CE1-CB 3.91Å; F236-F349 AromaticContact CE1-CD2 3.52Å; F236-F349 HydrophobicContact CE1-CD2 3.52Å; F236-F349 HydrophobicContact CE1-CE2 4.47Å; F236-F349 HydrophobicContact CE1-CG 4.12Å; F236-F349 AromaticContact CZ-CD2 3.89Å; F236-F349 HydrophobicContact CZ-CD2 3.89Å; V237-F349 PolarHBondContact N-O 2.96Å; F349-Q460 WeakPolarHBondContact CA-O 3.33Å; F349-Q460 HydrophobicContact CD1-CB 3.92Å; F349-Q460 HydrophobicContact CD1-CG 4.21Å; F349-Q460 HydrophobicContact CE1-CB 4.06Å; F349-Q460 HydrophobicContact CE1-CG 3.9Å; F349-W519 HydrophobicContact CB-CD2 4.35Å; F349-W519 HydrophobicContact CB-CE3 4.05Å; F349-W519 HydrophobicContact CB-CH2 3.82Å; F349-W519 HydrophobicContact CB-CZ2 4.09Å; F349-W519 HydrophobicContact CB-CZ3 3.81Å; F349-W519 HydrophobicContact CD1-CB 4.46Å; F349-W519 AromaticContact CD1-CD2 3.69Å; F349-W519 HydrophobicContact CD1-CD2 3.69Å; F349-W519 AromaticContact CD1-CE2 3.72Å; F349-W519 HydrophobicContact CD1-CE3 4.19Å; F349-W519 AromaticContact CD1-CG 3.86Å; F349-W519 HydrophobicContact CD1-CG 3.86Å; F349-W519 HydrophobicContact CD1-CZ2 4.17Å; F349-W519 AromaticContact CD1-NE1 3.98Å; F349-W519 HydrophobicContact CD2-CE3 4.4Å; F349-W519 HydrophobicContact CE1-CB 4.01Å; F349-W519 AromaticContact CE1-CD1 3.91Å; F349-W519 HydrophobicContact CE1-CD2 4.11Å; F349-W519 AromaticContact CE1-CG 3.76Å; F349-W519 HydrophobicContact CE1-CG 3.76Å; F349-W519 HydrophobicContact CE2-CB 4.43Å; F349-W519 AromaticContact CG-CD2 3.98Å; F349-W519 HydrophobicContact CG-CD2 3.98Å; F349-W519 AromaticContact CG-CE3 3.98Å; F349-W519 HydrophobicContact CG-CE3 3.98Å; F349-W519 HydrophobicContact CG-CG 4.44Å; F349-W519 HydrophobicContact CG-CH2 4.47Å; F349-W519 HydrophobicContact CG-CZ2 4.44Å; F349-W519 HydrophobicContact CG-CZ3 4.26Å; F349-W519 HydrophobicContact CZ-CB 4Å; F349-W519 HydrophobicContact CZ-CG 4.25Å; F349-T523 WeakPolarHBondContact CZ-OG1 3.36Å
350L96.9Very high90.1Very high0 Ų026.8 Ų26.80%015%0.145CC..EExtended strand (participates in β ladder)trans-95123.1177.9175.263.6000110V237 F290 T326 L348 T352 Q460 A461 I462 M486V237-L350 HydrophobicContact CB-CD1 4.04Å; V237-L350 HydrophobicContact CG1-CD1 3.79Å; V237-L350 WeakPolarHBondContact O-CA 3.17Å; F290-L350 HydrophobicContact CE1-CD1 4.14Å; F290-L350 HydrophobicContact CZ-CD1 4.45Å; T326-L350 HydrophobicContact CG2-CD1 4.14Å; T326-L350 HydrophobicContact CG2-CD2 4.22Å; L348-L350 HydrophobicContact CD2-CB 3.92Å; L350-T352 HydrophobicContact CD1-CG2 4.23Å; L350-T352 HydrophobicContact CD2-CG2 4.11Å; L350-T352 HydrophobicContact CG-CG2 3.93Å; L350-Q460 PolarHBondContact N-O 2.63Å; L350-A461 HydrophobicContact CB-CB 3.91Å; L350-A461 HydrophobicContact CD2-CB 4.28Å; L350-A461 HydrophobicContact CG-CB 4.29Å; L350-A461 CarbonylContact O-C 3.58Å; L350-A461 WeakPolarHBondContact O-CA 3.43Å; L350-I462 PolarHBondContact O-N 3.31Å; L350-M486 HydrophobicContact CD2-SD 4.25Å
351L95.6Very high90.5Very high1 Ų126.4 Ų26.41%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-118.3114.6174.2-176.966.3000108.9V237 L238 D239 S262 I462 M464 F512 F516 W519V237-L351 PolarHBondContact O-N 3.47Å; L238-L351 HydrophobicContact CD2-CB 4.02Å; L238-L351 HydrophobicContact CD2-CD2 4.05Å; D239-L351 WeakPolarHBondContact CB-O 3.45Å; D239-L351 PolarHBondContact N-O 2.97Å; S262-L351 WeakPolarHBondContact OG-CD2 3.43Å; L351-I462 HydrophobicContact CD1-CB 3.82Å; L351-I462 HydrophobicContact CD1-CG2 3.89Å; L351-M464 HydrophobicContact CD1-CG 3.91Å; L351-M464 HydrophobicContact CD1-SD 3.6Å; L351-M464 HydrophobicContact CD2-SD 4.42Å; L351-M464 HydrophobicContact CG-SD 3.99Å; L351-F512 HydrophobicContact CD1-CE2 3.78Å; L351-F512 HydrophobicContact CD1-CZ 4Å; L351-F512 HydrophobicContact CD2-CZ 4.49Å; L351-F516 HydrophobicContact CD1-CE2 4.25Å; L351-F516 HydrophobicContact CD1-CZ 4.33Å; L351-F516 HydrophobicContact CD2-CZ 4.09Å; L351-W519 HydrophobicContact CB-CH2 4.37Å
352T94.8Very high91.3Very high1 Ų118.8 Ų18.81%0.00610%0.102CC..EExtended strand (participates in β ladder)trans-155.8160.4-173.5-178.30000111.6D239 L350 G354 I462 A463 M464 L483D239-T352 WeakPolarHBondContact OD2-CB 3.25Å; D239-T352 PolarHBondContact OD2-OG1 2.67Å; L350-T352 HydrophobicContact CD1-CG2 4.23Å; L350-T352 HydrophobicContact CD2-CG2 4.11Å; L350-T352 HydrophobicContact CG-CG2 3.93Å; T352-G354 VanDerWaalsContact C-N 3.34Å; T352-G354 PolarHBondContact OG1-N 3.3Å; T352-I462 PolarHBondContact N-O 3.31Å; T352-A463 WeakPolarHBondContact O-CA 3.41Å; T352-M464 PolarHBondContact O-N 3.41Å; T352-L483 HydrophobicContact CG2-CD2 3.78Å
353D90Very high92Very high0 Ų019.9 Ų19.90%011%0.107CC..  trans-92.93.6165.269.1-4.6000113.3S243 M244 R258 A355 A466S243-D353 WeakPolarHBondContact CB-OD2 3.13Å; S243-D353 PolarHBondContact OG-OD2 2.95Å; M244-D353 HydrophobicContact SD-CB 4.22Å; R258-D353 IonicContact NH1-OD2 2.9Å; R258-D353 PolarHBondContact NH1-OD2 2.77Å; D353-A355 PolarHBondContact O-N 2.75Å; D353-A466 WeakPolarHBondContact O-CA 3.38Å; D353-A466 WeakPolarHBondContact O-CB 3.16Å
354G82Confident92.8Very high0 Ų017 Ų170%08%0.078CC..SBendtrans87.15.1150.900000118.2T352 P356 L483T352-G354 VanDerWaalsContact C-N 3.34Å; T352-G354 PolarHBondContact OG1-N 3.3Å; G354-P356 WeakPolarHBondContact O-CD 3.41Å; G354-L483 VanDerWaalsContact CA-CD2 3.46Å
355A90.2Very high93.2Very high11 Ų1115.8 Ų15.89%0.0917%0.074CC..  trans-106.973.417900000111.9T324 D353 N357 T403T324-A355 WeakPolarHBondContact CB-O 3.48Å; D353-A355 PolarHBondContact O-N 2.75Å; A355-N357 PolarHBondContact O-N 3.09Å; A355-T403 WeakPolarHBondContact CA-OG1 3.34Å
356P95Very high93.7Very high0 Ų015.5 Ų15.50%08%0.075CC..  trans-64.1129.1177.426.1-31.5000110.3T324 G354 T403 H441 L442T324-P356 CarbonylContact O-C 2.8Å; T324-P356 VanDerWaalsContact O-CA 3.31Å; T324-P356 WeakPolarHBondContact O-CA 2.98Å; G354-P356 WeakPolarHBondContact O-CD 3.41Å; P356-T403 HydrophobicContact CG-CG2 4.05Å; P356-T403 VanDerWaalsContact O-CA 3.23Å; P356-T403 WeakPolarHBondContact O-CA 3.21Å; P356-T403 WeakPolarHBondContact O-CB 2.97Å; P356-T403 VanDerWaalsContact O-CG2 3.31Å; P356-T403 WeakPolarHBondContact O-CG2 2.92Å; P356-T403 PolarHBondContact O-OG1 3.37Å; P356-H441 HydrophobicContact CB-CB 4.25Å; P356-H441 HydrophobicContact CG-CB 4.28Å; P356-H441 WeakPolarHBondContact O-CB 3.46Å; P356-L442 HydrophobicContact CG-CD2 3.81Å; P356-L442 HydrophobicContact CG-CG 4.32Å
357N94Very high93.8Very high21 Ų2121.8 Ų21.811%0.11210%0.098CC..  trans-12515.2178.95921.9000112.9Q323 T324 A355 G401 A402 H441Q323-N357 VanDerWaalsContact CB-OD1 3.32Å; Q323-N357 WeakPolarHBondContact CB-OD1 3.28Å; T324-N357 PolarHBondContact N-OD1 3.07Å; T324-N357 PolarHBondContact O-N 2.86Å; A355-N357 PolarHBondContact O-N 3.09Å; N357-G401 WeakPolarHBondContact CB-O 3.27Å; N357-G401 PolarHBondContact ND2-O 3.27Å; N357-A402 WeakPolarHBondContact CB-O 3.49Å; N357-H441 VanDerWaalsContact C-CD2 3.49Å; N357-H441 PolarHBondContact O-NE2 3.43Å
358R96.1Very high93.9Very high56 Ų5623.1 Ų23.121%0.21111%0.105CC..  trans-139.4145.4170.4-74.7-168.1172.1-111.90.9111.3Q323 T324 Y325 G394 V395 H441Q323-R358 HydrophobicContact CB-CG 4.29Å; T324-R358 PolarHBondContact O-N 3.05Å; Y325-R358 HydrophobicContact CD2-CB 4.14Å; Y325-R358 WeakPolarHBondContact CD2-O 3.48Å; Y325-R358 HydrophobicContact CG-CB 4.21Å; R358-G394 PolarHBondContact NH1-O 2.79Å; R358-V395 VanDerWaalsContact CA-O 3.31Å; R358-V395 WeakPolarHBondContact CA-O 3.3Å; R358-H441 VanDerWaalsContact C-ND1 3.34Å
359S96.9Very high93.7Very high0 Ų028.2 Ų28.20%014%0.136CC..BIsolated β-bridgetrans-156162.6172.9-57.70000110.8V395 H441 M444S359-V395 PolarHBondContact N-O 2.97Å; S359-V395 VanDerWaalsContact O-CG2 3.29Å; S359-V395 WeakPolarHBondContact O-CG2 3.21Å; S359-V395 PolarHBondContact O-N 3.03Å; S359-H441 WeakPolarHBondContact CB-ND1 3.32Å; S359-H441 PolarHBondContact N-CE1 3.28Å; S359-H441 PolarHBondContact N-ND1 3.07Å; S359-H441 PolarHBondContact OG-ND1 3.31Å; S359-M444 WeakPolarHBondContact OG-CB 3.42Å
360K96.8Very high93.4Very high27 Ų2730 Ų3012%0.11715%0.151CC..  trans-60.9146.8169.2-66-173.864.9172.60110.2Y325 I331 P362 Y381 D390 A393Y325-K360 WeakPolarHBondContact OH-CG 3.5Å; I331-K360 HydrophobicContact CD1-CD 3.59Å; I331-K360 HydrophobicContact CD1-CG 4.31Å; K360-P362 VanDerWaalsContact O-CD 3.3Å; K360-P362 WeakPolarHBondContact O-CD 3.46Å; K360-Y381 HydrophobicContact CB-CD1 3.37Å; K360-Y381 HydrophobicContact CB-CE1 3.95Å; K360-Y381 HydrophobicContact CB-CG 3.82Å; K360-Y381 HydrophobicContact CD-CG 4.31Å; K360-D390 IonicContact NZ-OD1 3.67Å; K360-D390 PolarHBondContact NZ-OD1 3.24Å; K360-A393 HydrophobicContact CG-CB 4.3Å
361D94.8Very high93.3Very high45 Ų4530.1 Ų30.124%0.24115%0.151CC..  trans-69113.9178.3-167.2-21000110.5Y381 K382 V395 L397D361-Y381 CarbonylContact O-C 3.5Å; D361-Y381 VanDerWaalsContact O-CA 3.28Å; D361-Y381 WeakPolarHBondContact O-CA 3.03Å; D361-Y381 WeakPolarHBondContact O-CB 3.03Å; D361-K382 HydrophobicContact CB-CB 4.25Å; D361-K382 HydrophobicContact CB-CD 4.15Å; D361-K382 HydrophobicContact CB-CG 4.22Å; D361-K382 VanDerWaalsContact CG-CD 3.48Å; D361-K382 VanDerWaalsContact CG-CE 3.45Å; D361-K382 PolarHBondContact O-N 3.35Å; D361-K382 WeakPolarHBondContact OD1-CE 3.43Å; D361-K382 IonicContact OD1-NZ 2.72Å; D361-K382 PolarHBondContact OD1-NZ 3.11Å; D361-K382 VanDerWaalsContact OD1-NZ 3.09Å; D361-K382 VanDerWaalsContact OD2-CD 3.3Å; D361-K382 WeakPolarHBondContact OD2-CD 3.46Å; D361-K382 WeakPolarHBondContact OD2-CE 3.28Å; D361-K382 IonicContact OD2-NZ 2.68Å; D361-K382 PolarHBondContact OD2-NZ 2.93Å; D361-V395 HydrophobicContact CB-CG2 4.22Å; D361-L397 HydrophobicContact CB-CD2 4.24Å
362P95.3Very high93.3Very high4 Ų431.6 Ų31.63%0.02616%0.158CC..EExtended strand (participates in β ladder)trans-73.7140.1-175.828.5-30.5000111.4K360 I378 F421 I423 I438K360-P362 VanDerWaalsContact O-CD 3.3Å; K360-P362 WeakPolarHBondContact O-CD 3.46Å; P362-I378 HydrophobicContact CB-CD1 3.88Å; P362-I378 HydrophobicContact CB-CG1 4.28Å; P362-I378 HydrophobicContact CB-CG2 3.7Å; P362-F421 HydrophobicContact CG-CD1 3.95Å; P362-F421 HydrophobicContact CG-CE1 3.43Å; P362-F421 VanDerWaalsContact CG-CE1 3.43Å; P362-F421 HydrophobicContact CG-CZ 3.84Å; P362-I423 HydrophobicContact CB-CD1 4.01Å; P362-I423 HydrophobicContact CB-CG1 4.32Å; P362-I423 HydrophobicContact CG-CD1 4.36Å; P362-I423 HydrophobicContact CG-CG1 4.41Å; P362-I438 HydrophobicContact CG-CD1 3.77Å
363L94.1Very high93.3Very high67 Ų6732.3 Ų32.335%0.35116%0.163SC..EExtended strand (participates in β ladder)trans-111.9-43.9179.7177.663.8000112Q380 K382 N425L363-Q380 HydrophobicContact CB-CB 4.36Å; L363-Q380 PolarHBondContact N-O 2.76Å; L363-K382 HydrophobicContact CB-CG 4.16Å; L363-K382 HydrophobicContact CD1-CG 4.37Å; L363-N425 WeakPolarHBondContact O-CB 3.33Å
364A94.4Very high93.5Very high0 Ų033.6 Ų33.60%017%0.172CC..EExtended strand (participates in β ladder)trans-139.9156.7-178.300000111.8I378 T379 Q380 N425A364-I378 WeakPolarHBondContact O-CG2 3.28Å; A364-T379 PolarHBondContact O-N 3.36Å; A364-T379 PolarHBondContact O-OG1 3.08Å; A364-Q380 HydrophobicContact CB-CB 3.79Å; A364-Q380 HydrophobicContact CB-CG 4.05Å; A364-Q380 PolarHBondContact N-O 3.49Å; A364-Q380 VanDerWaalsContact N-O 3.08Å; A364-Q380 PolarHBondContact O-N 3.18Å; A364-N425 VanDerWaalsContact CA-O 3.28Å; A364-N425 WeakPolarHBondContact CA-O 3.45Å; A364-N425 HydrophobicContact CB-CB 3.86Å
365G94.4Very high94.1Very high0 Ų039.4 Ų39.40%020%0.197CC..EExtended strand (participates in β ladder)trans-164.8-179.817600000113.7R377 T379 N425 E427 L436G365-R377 CarbonylContact C-O 3.54Å; G365-R377 WeakPolarHBondContact CA-O 2.98Å; G365-T379 WeakPolarHBondContact CA-OG1 3.47Å; G365-T379 PolarHBondContact N-OG1 3.2Å; G365-N425 PolarHBondContact N-O 2.98Å; G365-E427 PolarHBondContact O-N 2.95Å; G365-E427 VanDerWaalsContact O-N 3.12Å; G365-L436 VanDerWaalsContact O-CD1 3.24Å; G365-L436 WeakPolarHBondContact O-CD1 3.33Å
366K93.9Very high94.2Very high75 Ų7539.1 Ų39.133%0.32619%0.194SC..EExtended strand (participates in β ladder)trans-143160.6177.364.4-175.7-179.4-175.30111D368 V376 R377 T379 E427K366-D368 PolarHBondContact O-N 3.34Å; K366-V376 WeakPolarHBondContact O-CA 3.43Å; K366-R377 HydrophobicContact CG-CB 4.22Å; K366-R377 PolarHBondContact N-O 3.36Å; K366-R377 PolarHBondContact O-N 3.1Å; K366-T379 HydrophobicContact CD-CG2 4.18Å; K366-T379 HydrophobicContact CG-CG2 4.09Å; K366-E427 HydrophobicContact CB-CB 4.37Å
367R92.2Very high94.3Very high150 Ų15040.1 Ų40.157%0.56620%0.197SC*.EExtended strand (participates in β ladder)trans-66.3133170.8-69.1-179.9-176.5-86.41.7110.3K375 D428 L436R367-K375 WeakPolarHBondContact CA-O 3.49Å; R367-D428 WeakPolarHBondContact CG-OD2 3.49Å; R367-D428 PolarHBondContact N-OD2 3.19Å; R367-L436 HydrophobicContact CG-CD2 3.86Å
368D92.8Very high94.4Very high28 Ų2839.1 Ų39.115%0.1519%0.192CC..  trans-149.9111.3175.6-171.2-17.8000109.3K366 A370 I371 K375 R377K366-D368 PolarHBondContact O-N 3.34Å; D368-A370 PolarHBondContact O-N 2.9Å; D368-A370 VanDerWaalsContact OD1-CB 3.3Å; D368-A370 WeakPolarHBondContact OD1-CB 3.46Å; D368-A370 PolarHBondContact OD1-N 2.95Å; D368-I371 HydrophobicContact CB-CG1 3.89Å; D368-I371 PolarHBondContact O-N 3.26Å; D368-I371 VanDerWaalsContact O-N 3.13Å; D368-K375 PolarHBondContact N-O 2.77Å; D368-K375 CarbonylContact O-C 3.54Å; D368-K375 WeakPolarHBondContact O-CA 2.84Å; D368-R377 HydrophobicContact CB-CB 3.64Å; D368-R377 VanDerWaalsContact OD2-CD 3.29Å; D368-R377 WeakPolarHBondContact OD2-CD 3.24Å; D368-R377 IonicContact OD2-NH1 3.43Å
369T91.1Very high94.4Very high107 Ų10738.6 Ų38.666%0.65620%0.195SC*.THydrogen-bonded Turntrans-68.4-13.5-177.856.50000113.6I371T369-I371 VanDerWaalsContact C-N 3.33Å
370A90.7Very high94.4Very high37 Ų3743 Ų4331%0.30622%0.216SC..THydrogen-bonded Turntrans-77.8-20.9174.600000112.6D368D368-A370 PolarHBondContact O-N 2.9Å; D368-A370 VanDerWaalsContact OD1-CB 3.3Å; D368-A370 WeakPolarHBondContact OD1-CB 3.46Å; D368-A370 PolarHBondContact OD1-N 2.95Å
371I95.3Very high94.3Very high2 Ų243.4 Ų43.41%0.0122%0.217CC..SBendtrans-85.9144.2179.5-53.7-56.2000110.5D368 T369 K375 V376 R377 N446 A450D368-I371 HydrophobicContact CB-CG1 3.89Å; D368-I371 PolarHBondContact O-N 3.26Å; D368-I371 VanDerWaalsContact O-N 3.13Å; T369-I371 VanDerWaalsContact C-N 3.33Å; I371-K375 VanDerWaalsContact O-CA 3.24Å; I371-K375 WeakPolarHBondContact O-CA 3.3Å; I371-K375 PolarHBondContact O-N 2.93Å; I371-V376 WeakPolarHBondContact CG2-O 3.48Å; I371-R377 HydrophobicContact CG1-CB 3.85Å; I371-R377 HydrophobicContact CG1-CG 4.32Å; I371-N446 HydrophobicContact CD1-CB 4.31Å; I371-N446 HydrophobicContact CG2-CB 3.87Å; I371-A450 HydrophobicContact CD1-CB 3.72Å
372F95.4Very high94.4Very high32 Ų3245.7 Ų45.714%0.1423%0.225CC..SBendtrans-132.1143.9-175.8-174.8-87.4000110.7L442 N446 V478 K481 K485F372-L442 CarbonylContact O-C 3.47Å; F372-N446 PolarHBondContact O-ND2 3.45Å; F372-V478 HydrophobicContact CE1-CG1 3.82Å; F372-V478 WeakPolarHBondContact CE1-O 3.31Å; F372-V478 HydrophobicContact CZ-CG1 4Å; F372-K481 HydrophobicContact CD1-CG 4.12Å; F372-K481 HydrophobicContact CD2-CD 4.15Å; F372-K481 HydrophobicContact CD2-CG 3.96Å; F372-K481 HydrophobicContact CE1-CB 3.99Å; F372-K481 HydrophobicContact CE1-CD 4.36Å; F372-K481 HydrophobicContact CE1-CG 3.78Å; F372-K481 HydrophobicContact CE2-CD 3.49Å; F372-K481 VanDerWaalsContact CE2-CD 3.49Å; F372-K481 HydrophobicContact CE2-CG 3.64Å; F372-K481 HydrophobicContact CG-CG 4.19Å; F372-K481 HydrophobicContact CZ-CB 3.99Å; F372-K481 HydrophobicContact CZ-CD 3.61Å; F372-K481 HydrophobicContact CZ-CG 3.54Å; F372-K485 HydrophobicContact CB-CB 4.07Å; F372-K485 HydrophobicContact CB-CG 3.85Å; F372-K485 HydrophobicContact CG-CG 4.24Å
373P93.9Very high94.4Very high17 Ų1751 Ų5111%0.1126%0.259CS..SBendcis-86.2-24.80.232.6-36.2000115.2K375 E439 D443P373-K375 VanDerWaalsContact C-N 3.27Å; P373-K375 PolarHBondContact O-N 3.14Å; P373-E439 WeakPolarHBondContact CB-OE1 3.29Å; P373-E439 HydrophobicContact CG-CG 3.76Å; P373-E439 WeakPolarHBondContact CG-OE1 3.39Å; P373-D443 WeakPolarHBondContact CD-OD1 3.31Å
374S94Very high94.4Very high27 Ų2750.9 Ų50.919%0.18926%0.259CS..SBendtrans-79.4-8-165.8-51.40000114V376 I438 E439 D443S374-V376 VanDerWaalsContact C-N 3.26Å; S374-V376 PolarHBondContact O-N 2.87Å; S374-I438 WeakPolarHBondContact OG-CA 3.28Å; S374-E439 WeakPolarHBondContact OG-CG 3.09Å; S374-E439 PolarHBondContact OG-N 2.85Å; S374-D443 WeakPolarHBondContact CA-OD1 3.44Å; S374-D443 WeakPolarHBondContact CB-OD1 3.49Å; S374-D443 WeakPolarHBondContact CB-OD2 3.39Å; S374-D443 PolarHBondContact N-OD1 3.07Å; S374-D443 PolarHBondContact OG-OD1 2.95Å; S374-D443 PolarHBondContact OG-OD2 2.82Å
375K94.1Very high94.4Very high122 Ų12254.5 Ų54.553%0.5328%0.284SS..  trans59.138.5-174.5-54172.4-174.9174.40112.3R367 D368 I371 P373R367-K375 WeakPolarHBondContact CA-O 3.49Å; D368-K375 PolarHBondContact N-O 2.77Å; D368-K375 CarbonylContact O-C 3.54Å; D368-K375 WeakPolarHBondContact O-CA 2.84Å; I371-K375 VanDerWaalsContact O-CA 3.24Å; I371-K375 WeakPolarHBondContact O-CA 3.3Å; I371-K375 PolarHBondContact O-N 2.93Å; P373-K375 VanDerWaalsContact C-N 3.27Å; P373-K375 PolarHBondContact O-N 3.14Å
376V94.1Very high94.4Very high4 Ų460.9 Ų60.92%0.02433%0.328CS..EExtended strand (participates in β ladder)trans-125118.5179.6176.50000108.9K366 I371 S374 I378 I423 L436 I438K366-V376 WeakPolarHBondContact O-CA 3.43Å; I371-V376 WeakPolarHBondContact CG2-O 3.48Å; S374-V376 VanDerWaalsContact C-N 3.26Å; S374-V376 PolarHBondContact O-N 2.87Å; V376-I378 HydrophobicContact CG1-CD1 4.15Å; V376-I423 HydrophobicContact CG1-CD1 4.34Å; V376-L436 HydrophobicContact CG1-CB 4.21Å; V376-L436 HydrophobicContact CG1-CD1 4Å; V376-L436 HydrophobicContact CG2-CB 4.29Å; V376-L436 HydrophobicContact CG2-CD2 4.21Å; V376-I438 HydrophobicContact CB-CG2 3.76Å; V376-I438 HydrophobicContact CG1-CG2 3.79Å; V376-I438 HydrophobicContact CG2-CG2 4.13Å
377R95.8Very high94.3Very high21 Ų2160.6 Ų60.68%0.07935%0.347CS..EExtended strand (participates in β ladder)trans-87.3121.8170.5-173.1160.3-175.7165.2-2.3109.9G365 K366 D368 I371 S447 A450 D451 D454G365-R377 CarbonylContact C-O 3.54Å; G365-R377 WeakPolarHBondContact CA-O 2.98Å; K366-R377 HydrophobicContact CG-CB 4.22Å; K366-R377 PolarHBondContact N-O 3.36Å; K366-R377 PolarHBondContact O-N 3.1Å; D368-R377 HydrophobicContact CB-CB 3.64Å; D368-R377 VanDerWaalsContact OD2-CD 3.29Å; D368-R377 WeakPolarHBondContact OD2-CD 3.24Å; D368-R377 IonicContact OD2-NH1 3.43Å; I371-R377 HydrophobicContact CG1-CB 3.85Å; I371-R377 HydrophobicContact CG1-CG 4.32Å; R377-S447 WeakPolarHBondContact CA-OG 3.33Å; R377-A450 VanDerWaalsContact NH2-C 3.3Å; R377-D451 IonicContact CZ-OD1 2.64Å; R377-D451 IonicContact NE-OD1 3.78Å; R377-D451 PolarHBondContact NE-OD1 3.14Å; R377-D451 IonicContact NH2-OD1 3.31Å; R377-D451 PolarHBondContact NH2-OD1 3.41Å; R377-D454 IonicContact CZ-OD2 3.76Å; R377-D454 IonicContact NH1-OD1 3.77Å; R377-D454 IonicContact NH1-OD2 2.71Å; R377-D454 PolarHBondContact NH1-OD2 3.38Å; R377-D454 IonicContact NH2-OD2 2.92Å; R377-D454 PolarHBondContact NH2-OD2 2.85Å
378I97.2Very high94.5Very high0 Ų056.5 Ų56.50%034%0.335CS..EExtended strand (participates in β ladder)trans-77.1124171.5-47.3-56.3000108.5P362 A364 V376 Q380 Y381 I423 I438 M444 S447P362-I378 HydrophobicContact CB-CD1 3.88Å; P362-I378 HydrophobicContact CB-CG1 4.28Å; P362-I378 HydrophobicContact CB-CG2 3.7Å; A364-I378 WeakPolarHBondContact O-CG2 3.28Å; V376-I378 HydrophobicContact CG1-CD1 4.15Å; I378-Q380 WeakPolarHBondContact CG2-O 3.24Å; I378-Y381 HydrophobicContact CB-CE1 4.05Å; I378-Y381 HydrophobicContact CG2-CD1 3.88Å; I378-Y381 HydrophobicContact CG2-CD2 4.47Å; I378-Y381 HydrophobicContact CG2-CE1 3.39Å; I378-Y381 HydrophobicContact CG2-CE2 4.03Å; I378-Y381 HydrophobicContact CG2-CG 4.4Å; I378-Y381 VanDerWaalsContact CG2-CZ 3.45Å; I378-I423 HydrophobicContact CD1-CD1 3.29Å; I378-I438 HydrophobicContact CD1-CD1 4.35Å; I378-I438 HydrophobicContact CD1-CG2 4.28Å; I378-M444 HydrophobicContact CG1-CG 4.11Å; I378-M444 HydrophobicContact CG1-SD 4.24Å; I378-S447 PolarHBondContact N-OG 3.07Å
379T95.8Very high94.6Very high46 Ų4659.1 Ų59.128%0.28235%0.351SS..EExtended strand (participates in β ladder)trans-108.2-24.9-176.253.70000112A364 G365 K366 E427A364-T379 PolarHBondContact O-N 3.36Å; A364-T379 PolarHBondContact O-OG1 3.08Å; G365-T379 WeakPolarHBondContact CA-OG1 3.47Å; G365-T379 PolarHBondContact N-OG1 3.2Å; K366-T379 HydrophobicContact CD-CG2 4.18Å; K366-T379 HydrophobicContact CG-CG2 4.09Å; T379-E427 VanDerWaalsContact CB-OE1 3.26Å; T379-E427 WeakPolarHBondContact CB-OE1 3.39Å; T379-E427 VanDerWaalsContact OG1-CD 3.23Å; T379-E427 PolarHBondContact OG1-OE1 3.49Å
380Q96.1Very high94.7Very high91 Ų9155.5 Ų55.543%0.42533%0.328SS..EExtended strand (participates in β ladder)trans-141.3146176.4-56.8-177.5-19.900110.8L363 A364 I378L363-Q380 HydrophobicContact CB-CB 4.36Å; L363-Q380 PolarHBondContact N-O 2.76Å; A364-Q380 HydrophobicContact CB-CB 3.79Å; A364-Q380 HydrophobicContact CB-CG 4.05Å; A364-Q380 PolarHBondContact N-O 3.49Å; A364-Q380 VanDerWaalsContact N-O 3.08Å; A364-Q380 PolarHBondContact O-N 3.18Å; I378-Q380 WeakPolarHBondContact CG2-O 3.24Å
381Y95.9Very high94.8Very high36 Ų3654.1 Ų54.114%0.14132%0.317CS..EExtended strand (participates in β ladder)trans-117.1155.7175.5-58.8-87.4000109.4Q327 K360 D361 I378 M444Q327-Y381 PolarHBondContact NE2-OH 2.94Å; K360-Y381 HydrophobicContact CB-CD1 3.37Å; K360-Y381 HydrophobicContact CB-CE1 3.95Å; K360-Y381 HydrophobicContact CB-CG 3.82Å; K360-Y381 HydrophobicContact CD-CG 4.31Å; D361-Y381 CarbonylContact O-C 3.5Å; D361-Y381 VanDerWaalsContact O-CA 3.28Å; D361-Y381 WeakPolarHBondContact O-CA 3.03Å; D361-Y381 WeakPolarHBondContact O-CB 3.03Å; I378-Y381 HydrophobicContact CB-CE1 4.05Å; I378-Y381 HydrophobicContact CG2-CD1 3.88Å; I378-Y381 HydrophobicContact CG2-CD2 4.47Å; I378-Y381 HydrophobicContact CG2-CE1 3.39Å; I378-Y381 HydrophobicContact CG2-CE2 4.03Å; I378-Y381 HydrophobicContact CG2-CG 4.4Å; I378-Y381 VanDerWaalsContact CG2-CZ 3.45Å; Y381-M444 HydrophobicContact CE1-CG 4.1Å
382K95.2Very high94.8Very high93 Ų9356.7 Ų56.740%0.40433%0.331SS..PPolyproline II helixtrans-59.1148175.4-65.1-169.6-167.3154.70110.4D361 L363D361-K382 HydrophobicContact CB-CB 4.25Å; D361-K382 HydrophobicContact CB-CD 4.15Å; D361-K382 HydrophobicContact CB-CG 4.22Å; D361-K382 VanDerWaalsContact CG-CD 3.48Å; D361-K382 VanDerWaalsContact CG-CE 3.45Å; D361-K382 PolarHBondContact O-N 3.35Å; D361-K382 WeakPolarHBondContact OD1-CE 3.43Å; D361-K382 IonicContact OD1-NZ 2.72Å; D361-K382 PolarHBondContact OD1-NZ 3.11Å; D361-K382 VanDerWaalsContact OD1-NZ 3.09Å; D361-K382 VanDerWaalsContact OD2-CD 3.3Å; D361-K382 WeakPolarHBondContact OD2-CD 3.46Å; D361-K382 WeakPolarHBondContact OD2-CE 3.28Å; D361-K382 IonicContact OD2-NZ 2.68Å; D361-K382 PolarHBondContact OD2-NZ 2.93Å; L363-K382 HydrophobicContact CB-CG 4.16Å; L363-K382 HydrophobicContact CD1-CG 4.37Å
383P95.3Very high94.8Very high116 Ų11655.4 Ų55.475%0.75333%0.327SS*.PPolyproline II helixtrans-54.1144.9174.7-25.134.3000111.6
384L94.6Very high94.9Very high64 Ų6454.7 Ų54.734%0.33532%0.323SS..PPolyproline II helixtrans-64137.1174.6-61.8-176.3000109.9Q388 A393L384-Q388 HydrophobicContact CB-CB 4.08Å; L384-Q388 HydrophobicContact CD2-CB 4.45Å; L384-A393 HydrophobicContact CD2-CB 3.36Å
385S93.9Very high94.9Very high76 Ų7655.7 Ų55.753%0.53133%0.327SS..PPolyproline II helixtrans-69.3160.4171.2-540000110.2G387 Q388S385-G387 PolarHBondContact O-N 3.02Å; S385-Q388 WeakPolarHBondContact O-CB 3.49Å; S385-Q388 PolarHBondContact O-N 3.17Å; S385-Q388 PolarHBondContact OG-OE1 2.8Å
386S94.6Very high94.8Very high134 Ų13451.9 Ų51.994%0.93731%0.314SS*.THydrogen-bonded Turntrans-52.1128.5176.8-171.80000111.4Q388S386-Q388 VanDerWaalsContact C-N 3.29Å; S386-Q388 PolarHBondContact O-N 3.3Å
387G93.1Very high94.7Very high70 Ų7053 Ų5372%0.72232%0.32SS*.THydrogen-bonded Turntrans81.7-6.8-177.700000115.8S385S385-G387 PolarHBondContact O-N 3.02Å
388Q94.7Very high94.1Very high64 Ų6455 Ų5530%0.29935%0.348SS..  trans-79.8143.2171.9-67.5-174.6-53.700111.3L384 S385 S386 N392L384-Q388 HydrophobicContact CB-CB 4.08Å; L384-Q388 HydrophobicContact CD2-CB 4.45Å; S385-Q388 WeakPolarHBondContact O-CB 3.49Å; S385-Q388 PolarHBondContact O-N 3.17Å; S385-Q388 PolarHBondContact OG-OE1 2.8Å; S386-Q388 VanDerWaalsContact C-N 3.29Å; S386-Q388 PolarHBondContact O-N 3.3Å; Q388-N392 VanDerWaalsContact CA-OD1 3.27Å; Q388-N392 WeakPolarHBondContact CA-OD1 2.98Å
389T95.2Very high93.5Very high82 Ų8255.4 Ų55.450%0.50335%0.35SS..  trans-118.1162.8166.870.30000108G391 N392 A393T389-G391 PolarHBondContact O-N 3.15Å; T389-G391 PolarHBondContact OG1-N 2.85Å; T389-N392 PolarHBondContact N-OD1 3.36Å; T389-N392 PolarHBondContact O-N 3.46Å; T389-N392 PolarHBondContact O-OD1 2.71Å; T389-A393 VanDerWaalsContact O-CB 3.27Å; T389-A393 WeakPolarHBondContact O-CB 3.29Å; T389-A393 PolarHBondContact O-N 3.25Å
390D93.9Very high92.8Very high31 Ų3160.1 Ų60.117%0.16637%0.374CS..THydrogen-bonded Turntrans-55.8-28.6175.3-68.6-55.9000113Y325 I331 K335 K360 N392Y325-D390 VanDerWaalsContact CE1-O 3.26Å; Y325-D390 WeakPolarHBondContact CE1-O 3.39Å; Y325-D390 PolarHBondContact OH-O 2.78Å; I331-D390 HydrophobicContact CG2-CB 3.72Å; K335-D390 WeakPolarHBondContact CE-OD2 3.41Å; K335-D390 IonicContact NZ-OD2 2.71Å; K335-D390 PolarHBondContact NZ-OD2 2.7Å; K360-D390 IonicContact NZ-OD1 3.67Å; K360-D390 PolarHBondContact NZ-OD1 3.24Å; D390-N392 VanDerWaalsContact C-N 3.31Å; D390-N392 PolarHBondContact O-N 3.41Å
391G92.6Very high92.1Very high8 Ų857.2 Ų57.28%0.08237%0.368CS..THydrogen-bonded Turntrans-71.5-18.2178.200000114.4N293 V294 T389N293-G391 CarbonylContact C-O 3.32Å; N293-G391 VanDerWaalsContact C-O 3.32Å; N293-G391 WeakPolarHBondContact CA-O 3.46Å; N293-G391 WeakPolarHBondContact CB-O 3.5Å; V294-G391 PolarHBondContact N-O 2.96Å; T389-G391 PolarHBondContact O-N 3.15Å; T389-G391 PolarHBondContact OG1-N 2.85Å
392N95Very high91.8Very high56 Ų5655.7 Ų55.730%0.29936%0.363SS..THydrogen-bonded Turntrans-127.79.9178.773.26.7000114.1N293 Q388 T389 D390 G394N293-N392 HydrophobicContact CB-CB 4.12Å; N293-N392 VanDerWaalsContact OD1-CA 3.31Å; N293-N392 WeakPolarHBondContact OD1-CA 3.44Å; N293-N392 VanDerWaalsContact OD1-CB 3.32Å; N293-N392 WeakPolarHBondContact OD1-CB 3.32Å; Q388-N392 VanDerWaalsContact CA-OD1 3.27Å; Q388-N392 WeakPolarHBondContact CA-OD1 2.98Å; T389-N392 PolarHBondContact N-OD1 3.36Å; T389-N392 PolarHBondContact O-N 3.46Å; T389-N392 PolarHBondContact O-OD1 2.71Å; D390-N392 VanDerWaalsContact C-N 3.31Å; D390-N392 PolarHBondContact O-N 3.41Å; N392-G394 VanDerWaalsContact C-N 3.29Å; N392-G394 PolarHBondContact O-N 3.45Å
393A95.4Very high91.7Very high6 Ų651.3 Ų51.35%0.0534%0.344CS..  trans-81.3-1.4-175.800000114.8K360 L384 T389 V395K360-A393 HydrophobicContact CG-CB 4.3Å; L384-A393 HydrophobicContact CD2-CB 3.36Å; T389-A393 VanDerWaalsContact O-CB 3.27Å; T389-A393 WeakPolarHBondContact O-CB 3.29Å; T389-A393 PolarHBondContact O-N 3.25Å; A393-V395 PolarHBondContact O-N 3.21Å
394G96.1Very high91.5Very high2 Ų245.9 Ų45.92%0.02131%0.309CS..  trans-65.5126.7-178.300000111.4R358 N392R358-G394 PolarHBondContact NH1-O 2.79Å; N392-G394 VanDerWaalsContact C-N 3.29Å; N392-G394 PolarHBondContact O-N 3.45Å
395V94.6Very high91.3Very high48 Ų4843.3 Ų43.329%0.29130%0.296SS..BIsolated β-bridgetrans-116.6161.4173.7-64.90000110.1R358 S359 D361 A393 L397 H441R358-V395 VanDerWaalsContact CA-O 3.31Å; R358-V395 WeakPolarHBondContact CA-O 3.3Å; S359-V395 PolarHBondContact N-O 2.97Å; S359-V395 VanDerWaalsContact O-CG2 3.29Å; S359-V395 WeakPolarHBondContact O-CG2 3.21Å; S359-V395 PolarHBondContact O-N 3.03Å; D361-V395 HydrophobicContact CB-CG2 4.22Å; A393-V395 PolarHBondContact O-N 3.21Å; V395-L397 VanDerWaalsContact C-N 3.31Å; V395-L397 HydrophobicContact CG2-CD2 3.45Å; V395-L397 VanDerWaalsContact CG2-CD2 3.45Å; V395-L397 HydrophobicContact CG2-CG 3.98Å; V395-H441 PolarHBondContact O-CE1 3.03Å
396T91.9Very high90.4Very high41 Ų4142.4 Ų42.425%0.25228%0.281SS..  trans-80.4-12179.563.30000113.3G398 S399 H441T396-G398 PolarHBondContact O-N 2.81Å; T396-G398 PolarHBondContact OG1-N 3.21Å; T396-S399 VanDerWaalsContact O-CB 3.29Å; T396-S399 WeakPolarHBondContact O-CB 3.5Å; T396-S399 PolarHBondContact O-N 2.93Å; T396-S399 PolarHBondContact O-OG 3.37Å; T396-H441 PolarHBondContact O-NE2 2.8Å
397L90.9Very high88.7Confident28 Ų2838.4 Ų38.415%0.14725%0.251CS..THydrogen-bonded Turntrans52.628.7-174.6-55.2174.9000113.7D361 V395 S399 L405 F421 M444D361-L397 HydrophobicContact CB-CD2 4.24Å; V395-L397 VanDerWaalsContact C-N 3.31Å; V395-L397 HydrophobicContact CG2-CD2 3.45Å; V395-L397 VanDerWaalsContact CG2-CD2 3.45Å; V395-L397 HydrophobicContact CG2-CG 3.98Å; L397-S399 VanDerWaalsContact C-N 3.34Å; L397-L405 HydrophobicContact CB-CD2 3.88Å; L397-L405 HydrophobicContact CD1-CD1 3.99Å; L397-L405 HydrophobicContact CD1-CD2 4.16Å; L397-F421 HydrophobicContact CB-CD2 4.1Å; L397-F421 HydrophobicContact CB-CE2 4.3Å; L397-F421 HydrophobicContact CD1-CD2 4.48Å; L397-F421 HydrophobicContact CD2-CD2 4.36Å; L397-F421 HydrophobicContact CD2-CE2 3.78Å; L397-F421 HydrophobicContact CD2-CZ 4.38Å; L397-F421 HydrophobicContact CG-CE2 4.44Å; L397-M444 HydrophobicContact CD1-CE 3.54Å
398G83.9Confident86.8Confident64 Ų6436.5 Ų36.566%0.6622%0.224SC*.THydrogen-bonded Turntrans83.93.1-177.900000114.8T396T396-G398 PolarHBondContact O-N 2.81Å; T396-G398 PolarHBondContact OG1-N 3.21Å
399S85Confident84.4Confident8 Ų841.4 Ų41.46%0.05624%0.241CC..  trans-66.1145.3169.480.40000110.4T396 L397 G401 A402T396-S399 VanDerWaalsContact O-CB 3.29Å; T396-S399 WeakPolarHBondContact O-CB 3.5Å; T396-S399 PolarHBondContact O-N 2.93Å; T396-S399 PolarHBondContact O-OG 3.37Å; L397-S399 VanDerWaalsContact C-N 3.34Å; S399-G401 PolarHBondContact O-N 3.05Å; S399-A402 WeakPolarHBondContact CB-O 3.46Å; S399-A402 PolarHBondContact OG-O 2.68Å
400N80Confident82.2Confident144 Ų14443.5 Ų43.577%0.7725%0.249SC*.SBendtrans-82.342.7174.9-168.836.5000111.5A402N400-A402 VanDerWaalsContact C-N 3.32Å
401G82.9Confident80.2Confident30 Ų3045.4 Ų45.431%0.30928%0.276SS..SBendtrans823-175.300000115.5N357 S399N357-G401 WeakPolarHBondContact CB-O 3.27Å; N357-G401 PolarHBondContact ND2-O 3.27Å; S399-G401 PolarHBondContact O-N 3.05Å
402A89.5Confident78.1Confident5 Ų550.8 Ų50.84%0.04130%0.302CS..SBendtrans-84.7164.4174.500000112.6N357 S399 N400 G471N357-A402 WeakPolarHBondContact CB-O 3.49Å; S399-A402 WeakPolarHBondContact CB-O 3.46Å; S399-A402 PolarHBondContact OG-O 2.68Å; N400-A402 VanDerWaalsContact C-N 3.32Å; A402-G471 WeakPolarHBondContact CB-O 3.39Å
403T93.3Very high76Confident1 Ų155.8 Ų55.81%0.00632%0.324CS..SBendtrans-71.6-41.3170-46.50000110.7A355 P356 L405 H441 L442 E472 L479A355-T403 WeakPolarHBondContact CA-OG1 3.34Å; P356-T403 HydrophobicContact CG-CG2 4.05Å; P356-T403 VanDerWaalsContact O-CA 3.23Å; P356-T403 WeakPolarHBondContact O-CA 3.21Å; P356-T403 WeakPolarHBondContact O-CB 2.97Å; P356-T403 VanDerWaalsContact O-CG2 3.31Å; P356-T403 WeakPolarHBondContact O-CG2 2.92Å; P356-T403 PolarHBondContact O-OG1 3.37Å; T403-L405 PolarHBondContact O-N 3.48Å; T403-H441 HydrophobicContact CG2-CB 4.24Å; T403-H441 PolarHBondContact O-CD2 3.44Å; T403-H441 PolarHBondContact O-N 3.45Å; T403-L442 HydrophobicContact CG2-CD1 4.08Å; T403-L442 HydrophobicContact CG2-CD2 4.43Å; T403-L442 HydrophobicContact CG2-CG 3.68Å; T403-E472 WeakPolarHBondContact CA-OE2 3.27Å; T403-E472 WeakPolarHBondContact CB-OE2 3.43Å; T403-E472 PolarHBondContact N-OE2 2.98Å; T403-E472 PolarHBondContact OG1-OE2 3.47Å; T403-L479 HydrophobicContact CG2-CD2 3.97Å
404S91.5Very high73.9Confident1 Ų160.6 Ų60.61%0.00735%0.354CS..BIsolated β-bridgetrans-62.7130.3171.958.60000111.9E472 F473S404-E472 WeakPolarHBondContact CB-OE1 3.34Å; S404-E472 PolarHBondContact N-OE1 3.36Å; S404-E472 PolarHBondContact OG-OE1 2.93Å; S404-F473 WeakPolarHBondContact OG-CD2 3.4Å; S404-F473 PolarHBondContact OG-N 3.36Å
405L89Confident71.7Confident11 Ų1163.4 Ų63.46%0.05837%0.372CS..SBendtrans-84.8-14178.2-62.7-175.3000113.7L397 T403 F421 I438 E439 H441 M444L397-L405 HydrophobicContact CB-CD2 3.88Å; L397-L405 HydrophobicContact CD1-CD1 3.99Å; L397-L405 HydrophobicContact CD1-CD2 4.16Å; T403-L405 PolarHBondContact O-N 3.48Å; L405-F421 HydrophobicContact CD1-CB 3.93Å; L405-I438 HydrophobicContact CD1-CD1 4.12Å; L405-I438 HydrophobicContact CD1-CG1 4.07Å; L405-E439 PolarHBondContact N-O 2.61Å; L405-H441 VanDerWaalsContact CD2-CD2 3.42Å; L405-H441 WeakPolarHBondContact CD2-CD2 3.43Å; L405-H441 VanDerWaalsContact CD2-NE2 3.31Å; L405-H441 WeakPolarHBondContact CD2-NE2 3.33Å; L405-M444 HydrophobicContact CD1-CE 4.09Å
406Y75.9Confident69.9Low56 Ų5666.3 Ų66.322%0.2240%0.401CS..  trans-103.3138.2176.265.1-80.7000109.5E439 F473Y406-E439 HydrophobicContact CD1-CB 3.8Å; Y406-E439 HydrophobicContact CE1-CB 3.83Å; Y406-E439 HydrophobicContact CE1-CG 4.25Å; Y406-F473 HydrophobicContact CE2-CB 4.15Å; Y406-F473 HydrophobicContact CE2-CG 4.3Å; Y406-F473 WeakPolarHBondContact O-CD2 3.37Å
407V58.2Low68.5Low50 Ų5068.4 Ų68.430%0.30341%0.414SS..  trans-111.1117.6171.6-176.50000107.1Y409 F473V407-Y409 VanDerWaalsContact C-N 3.33Å; V407-Y409 PolarHBondContact O-N 3.02Å; V407-F473 HydrophobicContact CB-CE2 4.39Å; V407-F473 HydrophobicContact CG1-CE2 4.17Å; V407-F473 HydrophobicContact CG1-CZ 4.4Å
408L53Low67.5Low31 Ų3170 Ų7016%0.16242%0.423CS..  trans-7096.7161-62.2-177.1000107.2N410 P415 F473L408-N410 PolarHBondContact O-N 3.14Å; L408-N410 VanDerWaalsContact O-N 3.12Å; L408-P415 HydrophobicContact CD2-CB 3.51Å; L408-P415 HydrophobicContact CD2-CG 3.18Å; L408-F473 HydrophobicContact CB-CE1 3.66Å; L408-F473 HydrophobicContact CB-CZ 3.84Å; L408-F473 HydrophobicContact CD1-CD1 4.31Å; L408-F473 HydrophobicContact CD1-CE1 4.04Å; L408-F473 HydrophobicContact CG-CD1 4.3Å; L408-F473 HydrophobicContact CG-CE1 3.86Å; L408-F473 HydrophobicContact CG-CZ 4.37Å; L408-F473 VanDerWaalsContact N-CZ 3.33Å
409Y44.7Very low66.9Low167 Ų16774 Ų7466%0.65542%0.418SS*.THydrogen-bonded Turntrans-66.4113.3170.8-146.4-97.6000107.1V407V407-Y409 VanDerWaalsContact C-N 3.33Å; V407-Y409 PolarHBondContact O-N 3.02Å
410N48.6Very low66.9Low125 Ų12578 Ų7867%0.66843%0.431SS*.THydrogen-bonded Turntrans84.222.8167.2-55.9-13000120L408 L412L408-N410 PolarHBondContact O-N 3.14Å; L408-N410 VanDerWaalsContact O-N 3.12Å; N410-L412 PolarHBondContact O-N 3.46Å
411G51.7Low67.3Low71 Ų7173.3 Ų73.373%0.73240%0.404SS*.SBendtrans61.418.2170.100000115E413G411-E413 PolarHBondContact O-N 3.05Å
412L49.2Very low67.5Low121 Ų12177.9 Ų77.963%0.63441%0.412SS*.  trans-84.1102.1171.8-70.3166.7000108N410 P414N410-L412 PolarHBondContact O-N 3.46Å; L412-P414 CarbonylContact O-C 3.1Å
413E51.4Low67.5Low162 Ų16277.8 Ų77.876%0.75741%0.411SS*.SBendtrans-81.8120.2166.3-88.1-82142.300109.1G411G411-E413 PolarHBondContact O-N 3.05Å
414P49.8Very low67Low107 Ų10782.8 Ų82.870%0.69544%0.442SS*.SBendcis-90.9158.5-1126.6-13000112L412 A416L412-P414 CarbonylContact O-C 3.1Å; P414-A416 PolarHBondContact O-N 3.02Å
415P51.3Low66.8Low60 Ų6086.5 Ų86.539%0.3946%0.461SS..PPolyproline II helixtrans-63.7132.8176.329.6-36.5000110L408 V417L408-P415 HydrophobicContact CD2-CB 3.51Å; L408-P415 HydrophobicContact CD2-CG 3.18Å; P415-V417 PolarHBondContact O-N 3.49Å
416A56.5Low66.6Low109 Ų10987.3 Ų87.390%0.90147%0.466SS*.SBendtrans-61.7-10.9178.200000114.4P414P414-A416 PolarHBondContact O-N 3.02Å
417V62.2Low67.1Low85 Ų8588.9 Ų88.952%0.51548%0.475SS..SBendtrans-136.5123.6-176.7-171.80000110.2P415 R419P415-V417 PolarHBondContact O-N 3.49Å; V417-R419 HydrophobicContact CG1-CG 4.45Å; V417-R419 PolarHBondContact O-N 3.44Å; V417-R419 VanDerWaalsContact O-N 3.14Å
418D69.1Low68.1Low63 Ų6388.8 Ų88.834%0.33747%0.473SS..  trans-69.2104.9170.4-176-2000110.4R420 R422 L437D418-R420 WeakPolarHBondContact OD1-CB 3.44Å; D418-R420 WeakPolarHBondContact OD1-CG 2.92Å; D418-R420 IonicContact OD1-CZ 3.75Å; D418-R420 PolarHBondContact OD1-N 3.29Å; D418-R420 VanDerWaalsContact OD1-N 3.11Å; D418-R420 IonicContact OD1-NE 3.67Å; D418-R420 PolarHBondContact OD1-NE 3.44Å; D418-R420 IonicContact OD1-NH2 3.55Å; D418-R420 IonicContact OD2-CZ 2.71Å; D418-R420 IonicContact OD2-NE 2.7Å; D418-R420 PolarHBondContact OD2-NE 3.33Å; D418-R420 IonicContact OD2-NH2 3.41Å; D418-R420 PolarHBondContact OD2-NH2 2.75Å; D418-R422 PolarHBondContact O-NH2 3.16Å; D418-R422 VanDerWaalsContact O-NH2 3.1Å; D418-L437 WeakPolarHBondContact OD2-CD1 3.31Å
419R73.2Confident68.6Low148 Ų14894.2 Ų94.256%0.55851%0.51SS*.  trans-98.19.1-177.6-68.5-176.1179.2-137.11.5113.8V417V417-R419 HydrophobicContact CG1-CG 4.45Å; V417-R419 PolarHBondContact O-N 3.44Å; V417-R419 VanDerWaalsContact O-N 3.14Å
420R83.5Confident69.6Low91 Ų9189.5 Ų89.534%0.34351%0.512SS..SBendtrans-57.9145.3174-70.4176.1-67-174.4-2.5110.5D418 R422 L437 E439D418-R420 WeakPolarHBondContact OD1-CB 3.44Å; D418-R420 WeakPolarHBondContact OD1-CG 2.92Å; D418-R420 IonicContact OD1-CZ 3.75Å; D418-R420 PolarHBondContact OD1-N 3.29Å; D418-R420 VanDerWaalsContact OD1-N 3.11Å; D418-R420 IonicContact OD1-NE 3.67Å; D418-R420 PolarHBondContact OD1-NE 3.44Å; D418-R420 IonicContact OD1-NH2 3.55Å; D418-R420 IonicContact OD2-CZ 2.71Å; D418-R420 IonicContact OD2-NE 2.7Å; D418-R420 PolarHBondContact OD2-NE 3.33Å; D418-R420 IonicContact OD2-NH2 3.41Å; D418-R420 PolarHBondContact OD2-NH2 2.75Å; R420-R422 WeakPolarHBondContact O-CG 3.3Å; R420-R422 PolarHBondContact O-N 2.88Å; R420-L437 HydrophobicContact CB-CB 4.15Å; R420-E439 HydrophobicContact CG-CB 4.06Å
421F87.8Confident70.1Confident46 Ų4685.1 Ų85.120%0.20249%0.489CS..EExtended strand (participates in β ladder)trans-67.2134179.7-175.5-72.3000109.2P362 L397 L405 I423 L437 I438P362-F421 HydrophobicContact CG-CD1 3.95Å; P362-F421 HydrophobicContact CG-CE1 3.43Å; P362-F421 VanDerWaalsContact CG-CE1 3.43Å; P362-F421 HydrophobicContact CG-CZ 3.84Å; L397-F421 HydrophobicContact CB-CD2 4.1Å; L397-F421 HydrophobicContact CB-CE2 4.3Å; L397-F421 HydrophobicContact CD1-CD2 4.48Å; L397-F421 HydrophobicContact CD2-CD2 4.36Å; L397-F421 HydrophobicContact CD2-CE2 3.78Å; L397-F421 HydrophobicContact CD2-CZ 4.38Å; L397-F421 HydrophobicContact CG-CE2 4.44Å; L405-F421 HydrophobicContact CD1-CB 3.93Å; F421-I423 HydrophobicContact CD1-CG1 4.27Å; F421-I423 HydrophobicContact CE1-CG1 4.17Å; F421-L437 WeakPolarHBondContact O-CA 3.12Å; F421-I438 HydrophobicContact CB-CD1 4.21Å; F421-I438 HydrophobicContact CB-CG1 3.66Å; F421-I438 HydrophobicContact CD1-CD1 3.78Å; F421-I438 HydrophobicContact CD1-CG1 3.89Å; F421-I438 HydrophobicContact CG-CD1 4.18Å; F421-I438 HydrophobicContact CG-CG1 4.12Å; F421-I438 PolarHBondContact N-O 3.43Å; F421-I438 PolarHBondContact O-N 3.3Å
422R88Confident70.4Confident125 Ų12588.1 Ų88.147%0.47249%0.492SS..EExtended strand (participates in β ladder)trans-107.2125.8-170.2-55.1-174.7-179.9175.80.7110.8D418 R420 L437D418-R422 PolarHBondContact O-NH2 3.16Å; D418-R422 VanDerWaalsContact O-NH2 3.1Å; R420-R422 WeakPolarHBondContact O-CG 3.3Å; R420-R422 PolarHBondContact O-N 2.88Å; R422-L437 HydrophobicContact CB-CD2 4.4Å; R422-L437 HydrophobicContact CG-CD2 3.75Å
423I89.2Confident71.1Confident3 Ų388.1 Ų88.12%0.01549%0.493CS..EExtended strand (participates in β ladder)trans-106.7123.1169.4-58.7167.6000107.9P362 V376 I378 F421 L436 I438P362-I423 HydrophobicContact CB-CD1 4.01Å; P362-I423 HydrophobicContact CB-CG1 4.32Å; P362-I423 HydrophobicContact CG-CD1 4.36Å; P362-I423 HydrophobicContact CG-CG1 4.41Å; V376-I423 HydrophobicContact CG1-CD1 4.34Å; I378-I423 HydrophobicContact CD1-CD1 3.29Å; F421-I423 HydrophobicContact CD1-CG1 4.27Å; F421-I423 HydrophobicContact CE1-CG1 4.17Å; I423-L436 HydrophobicContact CB-CB 4.16Å; I423-L436 PolarHBondContact N-O 2.7Å; I423-L436 PolarHBondContact O-N 3.13Å; I423-I438 HydrophobicContact CD1-CD1 4.25Å; I423-I438 HydrophobicContact CD1-CG2 4.06Å
424T83.1Confident72Confident107 Ų10786 Ų8666%0.65649%0.487SS*.  trans-101.3-21-177.151.90000113.4I426T424-I426 PolarHBondContact O-N 3.45Å
425N87.2Confident73.5Confident78 Ų7887.5 Ų87.542%0.41748%0.479SS..EExtended strand (participates in β ladder)trans-87.5103.8173.8-168.811000109.5L363 A364 G365L363-N425 WeakPolarHBondContact O-CB 3.33Å; A364-N425 VanDerWaalsContact CA-O 3.28Å; A364-N425 WeakPolarHBondContact CA-O 3.45Å; A364-N425 HydrophobicContact CB-CB 3.86Å; G365-N425 PolarHBondContact N-O 2.98Å
426I85.6Confident75.3Confident29 Ų2984.8 Ų84.815%0.14946%0.461CS..EExtended strand (participates in β ladder)trans-116.7126.8-170.1-57.4175.6000109T424 D428 N431 R435 L436T424-I426 PolarHBondContact O-N 3.45Å; I426-D428 VanDerWaalsContact C-N 3.35Å; I426-D428 HydrophobicContact CG2-CB 3.93Å; I426-N431 HydrophobicContact CG2-CB 4.45Å; I426-R435 VanDerWaalsContact CD1-C 3.47Å; I426-R435 VanDerWaalsContact CD1-CA 3.42Å; I426-L436 HydrophobicContact CD1-CG 4.08Å; I426-L436 HydrophobicContact CG1-CD1 4.09Å; I426-L436 HydrophobicContact CG1-CG 3.93Å; I426-L436 HydrophobicContact CG2-CD1 4.18Å; I426-L436 HydrophobicContact CG2-CG 4.29Å
427E86.4Confident76.9Confident89 Ų8981.8 Ų81.842%0.41643%0.429SS..  trans-88.3-2-178-62.3175.7-169.300113.4G365 K366 T379 P429G365-E427 PolarHBondContact O-N 2.95Å; G365-E427 VanDerWaalsContact O-N 3.12Å; K366-E427 HydrophobicContact CB-CB 4.37Å; T379-E427 VanDerWaalsContact CB-OE1 3.26Å; T379-E427 WeakPolarHBondContact CB-OE1 3.39Å; T379-E427 VanDerWaalsContact OG1-CD 3.23Å; T379-E427 PolarHBondContact OG1-OE1 3.49Å; E427-P429 WeakPolarHBondContact O-CD 3.34Å
428D78.5Confident78.3Confident47 Ų4777.7 Ų77.725%0.25141%0.405SS..  trans-83.7117179.5-65.3-37.6000112.1R367 I426 G430R367-D428 WeakPolarHBondContact CG-OD2 3.49Å; R367-D428 PolarHBondContact N-OD2 3.19Å; I426-D428 VanDerWaalsContact C-N 3.35Å; I426-D428 HydrophobicContact CG2-CB 3.93Å; D428-G430 PolarHBondContact O-N 2.96Å
429P63.3Low79.3Confident145 Ų14577 Ų7794%0.94240%0.399SS*.THydrogen-bonded Turntrans-69.8-2.9-173.723.6-31.8000116E427E427-P429 WeakPolarHBondContact O-CD 3.34Å
430G66Low80.3Confident68 Ų6869.9 Ų69.970%0.70137%0.373SS*.THydrogen-bonded Turntrans-125.415.7-172.500000116.4D428 V432D428-G430 PolarHBondContact O-N 2.96Å; G430-V432 PolarHBondContact O-N 2.98Å
431N60.2Low80.9Confident33 Ų3365.6 Ų65.618%0.17636%0.356CS..  trans-81.1107.3-169.9-168-6.8000113.7I426 N433I426-N431 HydrophobicContact CG2-CB 4.45Å; N431-N433 VanDerWaalsContact C-N 3.3Å; N431-N433 PolarHBondContact O-N 3.43Å; N431-N433 PolarHBondContact OD1-N 3.35Å; N431-N433 VanDerWaalsContact OD1-N 3.09Å
432V57.8Low81.3Confident134 Ų13463.4 Ų63.481%0.81235%0.347SS*.THydrogen-bonded Turntrans-64.5-23.5176.8-69.10000115G430G430-V432 PolarHBondContact O-N 2.98Å
433N62.5Low81.7Confident122 Ų12257.4 Ų57.465%0.65232%0.324SS*.THydrogen-bonded Turntrans-103.33.1-174.8-75.4-25.7000114.3N431 R435N431-N433 VanDerWaalsContact C-N 3.3Å; N431-N433 PolarHBondContact O-N 3.43Å; N431-N433 PolarHBondContact OD1-N 3.35Å; N431-N433 VanDerWaalsContact OD1-N 3.09Å; N433-R435 PolarHBondContact O-N 2.93Å
434N71.8Confident82.1Confident118 Ų11857.3 Ų57.363%0.63132%0.324SS*.  trans45.222173.2-145.228.8000116.7
435R79.8Confident82.8Confident138 Ų13852.2 Ų52.252%0.52129%0.292SS..  trans-146.1138.7-178.9-61.8-178.1-177.6153.73.2110.6I426 N433I426-R435 VanDerWaalsContact CD1-C 3.47Å; I426-R435 VanDerWaalsContact CD1-CA 3.42Å; N433-R435 PolarHBondContact O-N 2.93Å
436L89.7Confident83.3Confident3 Ų348.5 Ų48.52%0.01627%0.272CS..EExtended strand (participates in β ladder)trans-104.1136.5161.4-64.5170000108G365 R367 V376 I423 I426G365-L436 VanDerWaalsContact O-CD1 3.24Å; G365-L436 WeakPolarHBondContact O-CD1 3.33Å; R367-L436 HydrophobicContact CG-CD2 3.86Å; V376-L436 HydrophobicContact CG1-CB 4.21Å; V376-L436 HydrophobicContact CG1-CD1 4Å; V376-L436 HydrophobicContact CG2-CB 4.29Å; V376-L436 HydrophobicContact CG2-CD2 4.21Å; I423-L436 HydrophobicContact CB-CB 4.16Å; I423-L436 PolarHBondContact N-O 2.7Å; I423-L436 PolarHBondContact O-N 3.13Å; I426-L436 HydrophobicContact CD1-CG 4.08Å; I426-L436 HydrophobicContact CG1-CD1 4.09Å; I426-L436 HydrophobicContact CG1-CG 3.93Å; I426-L436 HydrophobicContact CG2-CD1 4.18Å; I426-L436 HydrophobicContact CG2-CG 4.29Å
437L89.7Confident83.9Confident45 Ų4547.1 Ų47.124%0.23627%0.265CS..EExtended strand (participates in β ladder)trans-116127.6-179.3-59.2177000107.5D418 R420 F421 R422D418-L437 WeakPolarHBondContact OD2-CD1 3.31Å; R420-L437 HydrophobicContact CB-CB 4.15Å; F421-L437 WeakPolarHBondContact O-CA 3.12Å; R422-L437 HydrophobicContact CB-CD2 4.4Å; R422-L437 HydrophobicContact CG-CD2 3.75Å
438I91.8Very high84.5Confident0 Ų043.3 Ų43.30%025%0.248CC..EExtended strand (participates in β ladder)trans-118.5144.1173.366.5175.4000109.4P362 S374 V376 I378 L405 F421 I423 D443 M444P362-I438 HydrophobicContact CG-CD1 3.77Å; S374-I438 WeakPolarHBondContact OG-CA 3.28Å; V376-I438 HydrophobicContact CB-CG2 3.76Å; V376-I438 HydrophobicContact CG1-CG2 3.79Å; V376-I438 HydrophobicContact CG2-CG2 4.13Å; I378-I438 HydrophobicContact CD1-CD1 4.35Å; I378-I438 HydrophobicContact CD1-CG2 4.28Å; L405-I438 HydrophobicContact CD1-CD1 4.12Å; L405-I438 HydrophobicContact CD1-CG1 4.07Å; F421-I438 HydrophobicContact CB-CD1 4.21Å; F421-I438 HydrophobicContact CB-CG1 3.66Å; F421-I438 HydrophobicContact CD1-CD1 3.78Å; F421-I438 HydrophobicContact CD1-CG1 3.89Å; F421-I438 HydrophobicContact CG-CD1 4.18Å; F421-I438 HydrophobicContact CG-CG1 4.12Å; F421-I438 PolarHBondContact N-O 3.43Å; F421-I438 PolarHBondContact O-N 3.3Å; I423-I438 HydrophobicContact CD1-CD1 4.25Å; I423-I438 HydrophobicContact CD1-CG2 4.06Å; I438-D443 HydrophobicContact CB-CB 4.4Å; I438-D443 HydrophobicContact CG2-CB 4.46Å; I438-M444 HydrophobicContact CD1-CE 4.29Å; I438-M444 HydrophobicContact CD1-SD 3.56Å; I438-M444 VanDerWaalsContact CD1-SD 3.56Å
439E90.9Very high85.4Confident47 Ų4741.1 Ų41.122%0.2224%0.236CC..  trans-119.6-7.1-171.976.6-170-168.700113.3P373 S374 L405 Y406 R420 D443P373-E439 WeakPolarHBondContact CB-OE1 3.29Å; P373-E439 HydrophobicContact CG-CG 3.76Å; P373-E439 WeakPolarHBondContact CG-OE1 3.39Å; S374-E439 WeakPolarHBondContact OG-CG 3.09Å; S374-E439 PolarHBondContact OG-N 2.85Å; L405-E439 PolarHBondContact N-O 2.61Å; Y406-E439 HydrophobicContact CD1-CB 3.8Å; Y406-E439 HydrophobicContact CE1-CB 3.83Å; Y406-E439 HydrophobicContact CE1-CG 4.25Å; R420-E439 HydrophobicContact CG-CB 4.06Å; E439-D443 PolarHBondContact N-OD2 3.3Å
440S94.1Very high87.1Confident0 Ų034.3 Ų34.30%019%0.192CC..BIsolated β-bridgetrans-146.4147-169.3-164.50000113.6L442 D443 M444 H474S440-L442 PolarHBondContact O-N 2.66Å; S440-L442 WeakPolarHBondContact OG-CB 3.31Å; S440-L442 PolarHBondContact OG-N 2.88Å; S440-D443 PolarHBondContact N-OD2 3.17Å; S440-D443 WeakPolarHBondContact O-CB 2.87Å; S440-D443 PolarHBondContact O-N 3.45Å; S440-D443 VanDerWaalsContact O-N 3.11Å; S440-M444 WeakPolarHBondContact O-CE 3.31Å; S440-H474 WeakPolarHBondContact CB-NE2 3.42Å; S440-H474 PolarHBondContact OG-NE2 3.23Å
441H95.5Very high88.5Confident0 Ų032.9 Ų32.90%017%0.168CC..Hα-helixtrans-60.5-22.3163.7-81.6-66.8000113.2P356 N357 R358 S359 V395 T396 T403 L405 D443 M444 A445P356-H441 HydrophobicContact CB-CB 4.25Å; P356-H441 HydrophobicContact CG-CB 4.28Å; P356-H441 WeakPolarHBondContact O-CB 3.46Å; N357-H441 VanDerWaalsContact C-CD2 3.49Å; N357-H441 PolarHBondContact O-NE2 3.43Å; R358-H441 VanDerWaalsContact C-ND1 3.34Å; S359-H441 WeakPolarHBondContact CB-ND1 3.32Å; S359-H441 PolarHBondContact N-CE1 3.28Å; S359-H441 PolarHBondContact N-ND1 3.07Å; S359-H441 PolarHBondContact OG-ND1 3.31Å; V395-H441 PolarHBondContact O-CE1 3.03Å; T396-H441 PolarHBondContact O-NE2 2.8Å; T403-H441 HydrophobicContact CG2-CB 4.24Å; T403-H441 PolarHBondContact O-CD2 3.44Å; T403-H441 PolarHBondContact O-N 3.45Å; L405-H441 VanDerWaalsContact CD2-CD2 3.42Å; L405-H441 WeakPolarHBondContact CD2-CD2 3.43Å; L405-H441 VanDerWaalsContact CD2-NE2 3.31Å; L405-H441 WeakPolarHBondContact CD2-NE2 3.33Å; H441-D443 PolarHBondContact O-N 3.16Å; H441-M444 HydrophobicContact CB-CE 4.49Å; H441-M444 PolarHBondContact O-N 2.6Å; H441-A445 PolarHBondContact O-N 3.16Å
442L96.3Very high90.3Very high0 Ų031.3 Ų31.30%016%0.16CC..Hα-helixtrans-60.3-30.4172-69.3167.8000112.6P356 F372 T403 S440 M444 A445 N446 L479 M486P356-L442 HydrophobicContact CG-CD2 3.81Å; P356-L442 HydrophobicContact CG-CG 4.32Å; F372-L442 CarbonylContact O-C 3.47Å; T403-L442 HydrophobicContact CG2-CD1 4.08Å; T403-L442 HydrophobicContact CG2-CD2 4.43Å; T403-L442 HydrophobicContact CG2-CG 3.68Å; S440-L442 PolarHBondContact O-N 2.66Å; S440-L442 WeakPolarHBondContact OG-CB 3.31Å; S440-L442 PolarHBondContact OG-N 2.88Å; L442-M444 VanDerWaalsContact C-N 3.35Å; L442-M444 PolarHBondContact O-N 2.73Å; L442-A445 PolarHBondContact O-N 3.27Å; L442-N446 WeakPolarHBondContact O-CB 3.05Å; L442-N446 PolarHBondContact O-N 2.8Å; L442-N446 PolarHBondContact O-ND2 3Å; L442-L479 HydrophobicContact CD1-CD2 4.23Å; L442-M486 HydrophobicContact CD2-CE 3.49Å; L442-M486 VanDerWaalsContact CD2-CE 3.49Å
443D96.8Very high92Very high0 Ų027.1 Ų27.10%013%0.13CC..Hα-helixtrans-63.3-42.1179.2-69.3-64.3000111.3P373 S374 I438 E439 S440 H441 S447P373-D443 WeakPolarHBondContact CD-OD1 3.31Å; S374-D443 WeakPolarHBondContact CA-OD1 3.44Å; S374-D443 WeakPolarHBondContact CB-OD1 3.49Å; S374-D443 WeakPolarHBondContact CB-OD2 3.39Å; S374-D443 PolarHBondContact N-OD1 3.07Å; S374-D443 PolarHBondContact OG-OD1 2.95Å; S374-D443 PolarHBondContact OG-OD2 2.82Å; I438-D443 HydrophobicContact CB-CB 4.4Å; I438-D443 HydrophobicContact CG2-CB 4.46Å; E439-D443 PolarHBondContact N-OD2 3.3Å; S440-D443 PolarHBondContact N-OD2 3.17Å; S440-D443 WeakPolarHBondContact O-CB 2.87Å; S440-D443 PolarHBondContact O-N 3.45Å; S440-D443 VanDerWaalsContact O-N 3.11Å; H441-D443 PolarHBondContact O-N 3.16Å; D443-S447 VanDerWaalsContact O-CB 3.27Å; D443-S447 WeakPolarHBondContact O-CB 3.24Å; D443-S447 PolarHBondContact O-N 2.65Å; D443-S447 PolarHBondContact O-OG 2.97Å
444M97.5Very high93.4Very high0 Ų023.8 Ų23.80%011%0.111CC..Hα-helixtrans-72-41.7178.1-77.270.275.400111.8S359 I378 Y381 L397 L405 I438 S440 H441 L442 S447 Q448S359-M444 WeakPolarHBondContact OG-CB 3.42Å; I378-M444 HydrophobicContact CG1-CG 4.11Å; I378-M444 HydrophobicContact CG1-SD 4.24Å; Y381-M444 HydrophobicContact CE1-CG 4.1Å; L397-M444 HydrophobicContact CD1-CE 3.54Å; L405-M444 HydrophobicContact CD1-CE 4.09Å; I438-M444 HydrophobicContact CD1-CE 4.29Å; I438-M444 HydrophobicContact CD1-SD 3.56Å; I438-M444 VanDerWaalsContact CD1-SD 3.56Å; S440-M444 WeakPolarHBondContact O-CE 3.31Å; H441-M444 HydrophobicContact CB-CE 4.49Å; H441-M444 PolarHBondContact O-N 2.6Å; L442-M444 VanDerWaalsContact C-N 3.35Å; L442-M444 PolarHBondContact O-N 2.73Å; M444-S447 PolarHBondContact O-N 3.22Å; M444-Q448 PolarHBondContact O-N 2.82Å
445A97.8Very high94.3Very high0 Ų022.5 Ų22.50%010%0.1CC..Hα-helixtrans-64-44.7176.400000111.3H441 L442 Q448 A449 M486H441-A445 PolarHBondContact O-N 3.16Å; L442-A445 PolarHBondContact O-N 3.27Å; A445-Q448 PolarHBondContact O-N 3.34Å; A445-A449 WeakPolarHBondContact O-CB 3.21Å; A445-A449 PolarHBondContact O-N 3.14Å; A445-M486 HydrophobicContact CB-CE 3.72Å; A445-M486 HydrophobicContact CB-SD 3.8Å
446N98Very high94.6Very high0 Ų017.1 Ų17.10%09%0.088CC..Hα-helixtrans-65.1-39.2175.2-86.2-80.5000112.7I371 F372 L442 Q448 A449 A450 G482 K485 M486I371-N446 HydrophobicContact CD1-CB 4.31Å; I371-N446 HydrophobicContact CG2-CB 3.87Å; F372-N446 PolarHBondContact O-ND2 3.45Å; L442-N446 WeakPolarHBondContact O-CB 3.05Å; L442-N446 PolarHBondContact O-N 2.8Å; L442-N446 PolarHBondContact O-ND2 3Å; N446-Q448 VanDerWaalsContact C-N 3.34Å; N446-A449 PolarHBondContact O-N 2.91Å; N446-A450 WeakPolarHBondContact O-CB 3.38Å; N446-A450 PolarHBondContact O-N 2.99Å; N446-G482 PolarHBondContact ND2-O 3.45Å; N446-G482 PolarHBondContact OD1-O 2.93Å; N446-K485 WeakPolarHBondContact OD1-CB 3.24Å; N446-K485 PolarHBondContact OD1-O 3.06Å; N446-K485 VanDerWaalsContact OD1-O 3.12Å; N446-M486 PolarHBondContact OD1-N 2.91Å; N446-M486 VanDerWaalsContact OD1-N 3.11Å
447S98.3Very high94.7Very high0 Ų017 Ų170%09%0.088CC..Hα-helixtrans-60.5-45.8174.9-63.90000110.9R377 I378 D443 M444 A450 D451R377-S447 WeakPolarHBondContact CA-OG 3.33Å; I378-S447 PolarHBondContact N-OG 3.07Å; D443-S447 VanDerWaalsContact O-CB 3.27Å; D443-S447 WeakPolarHBondContact O-CB 3.24Å; D443-S447 PolarHBondContact O-N 2.65Å; D443-S447 PolarHBondContact O-OG 2.97Å; M444-S447 PolarHBondContact O-N 3.22Å; S447-A450 WeakPolarHBondContact O-CB 3.36Å; S447-A450 PolarHBondContact O-N 2.91Å; S447-D451 PolarHBondContact O-N 3.1Å
448Q98.2Very high94.8Very high10 Ų1015.5 Ų15.55%0.0478%0.079CC..Hα-helixtrans-64.2-44.1176.4-174.458.766.400111.7Q327 L330 I331 M444 A445 N446 A450 D451 L452Q327-Q448 HydrophobicContact CG-CB 3.86Å; Q327-Q448 HydrophobicContact CG-CG 4.24Å; L330-Q448 HydrophobicContact CB-CB 4.45Å; L330-Q448 HydrophobicContact CB-CG 3.64Å; L330-Q448 HydrophobicContact CD1-CB 4.44Å; L330-Q448 HydrophobicContact CD1-CG 4.47Å; I331-Q448 HydrophobicContact CG1-CG 3.92Å; M444-Q448 PolarHBondContact O-N 2.82Å; A445-Q448 PolarHBondContact O-N 3.34Å; N446-Q448 VanDerWaalsContact C-N 3.34Å; Q448-A450 VanDerWaalsContact C-N 3.28Å; Q448-A450 PolarHBondContact O-N 2.84Å; Q448-D451 WeakPolarHBondContact O-CB 3.26Å; Q448-D451 PolarHBondContact O-N 3.3Å; Q448-L452 HydrophobicContact CG-CD1 3.97Å; Q448-L452 WeakPolarHBondContact O-CD1 3.24Å; Q448-L452 PolarHBondContact O-N 2.81Å; Q448-L452 VanDerWaalsContact O-N 3.13Å
449A98.1Very high94.9Very high0 Ų015.5 Ų15.50%08%0.079CC..Hα-helixtrans-60.5-39176.700000112L330 A445 N446 D451 L452 R453 I459 M486L330-A449 HydrophobicContact CD1-CB 4.18Å; A445-A449 WeakPolarHBondContact O-CB 3.21Å; A445-A449 PolarHBondContact O-N 3.14Å; N446-A449 PolarHBondContact O-N 2.91Å; A449-D451 VanDerWaalsContact C-N 3.33Å; A449-D451 PolarHBondContact O-N 2.85Å; A449-L452 WeakPolarHBondContact O-CB 3.26Å; A449-L452 PolarHBondContact O-N 2.89Å; A449-R453 WeakPolarHBondContact O-CG 3.47Å; A449-R453 PolarHBondContact O-N 3.41Å; A449-I459 HydrophobicContact CB-CD1 3.83Å; A449-I459 WeakPolarHBondContact O-CD1 3.27Å; A449-M486 HydrophobicContact CB-CB 3.75Å; A449-M486 HydrophobicContact CB-CG 4.15Å; A449-M486 WeakPolarHBondContact CB-O 3.44Å
450A97.3Very high95Very high2 Ų213.3 Ų13.32%0.0177%0.069CC..Hα-helixtrans-61.5-40.3172.500000111.9I371 R377 N446 S447 Q448 L452 R453 D454I371-A450 HydrophobicContact CD1-CB 3.72Å; R377-A450 VanDerWaalsContact NH2-C 3.3Å; N446-A450 WeakPolarHBondContact O-CB 3.38Å; N446-A450 PolarHBondContact O-N 2.99Å; S447-A450 WeakPolarHBondContact O-CB 3.36Å; S447-A450 PolarHBondContact O-N 2.91Å; Q448-A450 VanDerWaalsContact C-N 3.28Å; Q448-A450 PolarHBondContact O-N 2.84Å; A450-L452 VanDerWaalsContact C-N 3.26Å; A450-L452 PolarHBondContact O-N 2.84Å; A450-R453 PolarHBondContact O-N 3.12Å; A450-D454 WeakPolarHBondContact O-CB 3.4Å; A450-D454 PolarHBondContact O-N 3.21Å
451D96.9Very high95.1Very high39 Ų3913.3 Ų13.321%0.2097%0.069CC..Hα-helixtrans-62.7-31.9175.6-65.6-23.8000113.2R377 S447 Q448 A449 K455R377-D451 IonicContact CZ-OD1 2.64Å; R377-D451 IonicContact NE-OD1 3.78Å; R377-D451 PolarHBondContact NE-OD1 3.14Å; R377-D451 IonicContact NH2-OD1 3.31Å; R377-D451 PolarHBondContact NH2-OD1 3.41Å; S447-D451 PolarHBondContact O-N 3.1Å; Q448-D451 WeakPolarHBondContact O-CB 3.26Å; Q448-D451 PolarHBondContact O-N 3.3Å; A449-D451 VanDerWaalsContact C-N 3.33Å; A449-D451 PolarHBondContact O-N 2.85Å; D451-K455 WeakPolarHBondContact O-CG 3.16Å; D451-K455 PolarHBondContact O-NZ 3.31Å
452L96.7Very high94.9Very high0 Ų013.3 Ų13.30%07%0.069CC..Hα-helixtrans-71-47.2174.1-84.285000111L330 Q334 L348 Q448 A449 A450 D454 K455 I457 I459L330-L452 HydrophobicContact CB-CD1 4.38Å; Q334-L452 HydrophobicContact CB-CD1 3.86Å; Q334-L452 HydrophobicContact CB-CD2 4.21Å; Q334-L452 HydrophobicContact CB-CG 3.83Å; Q334-L452 HydrophobicContact CG-CD1 4.23Å; Q334-L452 HydrophobicContact CG-CG 4.02Å; L348-L452 HydrophobicContact CD1-CD2 3.27Å; Q448-L452 HydrophobicContact CG-CD1 3.97Å; Q448-L452 WeakPolarHBondContact O-CD1 3.24Å; Q448-L452 PolarHBondContact O-N 2.81Å; Q448-L452 VanDerWaalsContact O-N 3.13Å; A449-L452 WeakPolarHBondContact O-CB 3.26Å; A449-L452 PolarHBondContact O-N 2.89Å; A450-L452 VanDerWaalsContact C-N 3.26Å; A450-L452 PolarHBondContact O-N 2.84Å; L452-D454 VanDerWaalsContact C-N 3.34Å; L452-D454 PolarHBondContact O-N 2.99Å; L452-K455 CarbonylContact O-C 3.58Å; L452-K455 WeakPolarHBondContact O-CA 3.36Å; L452-K455 WeakPolarHBondContact O-CB 3.46Å; L452-K455 PolarHBondContact O-N 2.93Å; L452-I457 HydrophobicContact CB-CB 4.19Å; L452-I457 HydrophobicContact CB-CD1 4.06Å; L452-I457 HydrophobicContact CD2-CD1 4.1Å; L452-I457 HydrophobicContact CD2-CG2 4.33Å; L452-I457 HydrophobicContact CG-CD1 3.96Å; L452-I457 WeakPolarHBondContact O-CB 3.46Å; L452-I457 PolarHBondContact O-N 2.87Å; L452-I459 HydrophobicContact CB-CD1 3.94Å; L452-I459 HydrophobicContact CD2-CD1 4.44Å
453R94Very high94.7Very high46 Ų4613.3 Ų13.317%0.1747%0.069CC..Hα-helixtrans-63.5-39.1179.8-66.6-176.7-52.6-108.55.4112.5A449 A450 K455 G456 I457 I459 K485 M486A449-R453 WeakPolarHBondContact O-CG 3.47Å; A449-R453 PolarHBondContact O-N 3.41Å; A450-R453 PolarHBondContact O-N 3.12Å; R453-K455 PolarHBondContact O-N 2.82Å; R453-K455 VanDerWaalsContact O-N 3.11Å; R453-G456 PolarHBondContact O-N 3.06Å; R453-I457 WeakPolarHBondContact CA-O 3Å; R453-I459 HydrophobicContact CG-CD1 3.89Å; R453-I459 HydrophobicContact CG-CG1 4.25Å; R453-K485 PolarHBondContact NH1-O 2.97Å; R453-M486 PolarHBondContact NH1-O 2.98Å
454D91.8Very high94.2Very high51 Ų5113.3 Ų13.327%0.2737%0.069SC..THydrogen-bonded Turntrans-60.8-21.3175.1-72.40.9000112.2A120 R377 A450 L452A120-D454 HydrophobicContact CB-CB 3.89Å; R377-D454 IonicContact CZ-OD2 3.76Å; R377-D454 IonicContact NH1-OD1 3.77Å; R377-D454 IonicContact NH1-OD2 2.71Å; R377-D454 PolarHBondContact NH1-OD2 3.38Å; R377-D454 IonicContact NH2-OD2 2.92Å; R377-D454 PolarHBondContact NH2-OD2 2.85Å; A450-D454 WeakPolarHBondContact O-CB 3.4Å; A450-D454 PolarHBondContact O-N 3.21Å; L452-D454 VanDerWaalsContact C-N 3.34Å; L452-D454 PolarHBondContact O-N 2.99Å
455K90.8Very high93.4Very high91 Ų9113.9 Ų13.940%0.3968%0.075SC..THydrogen-bonded Turntrans-9612.9174.4-62.5-178.8-167.678.60113.4L338 D451 L452 R453L338-K455 HydrophobicContact CD1-CB 4.42Å; L338-K455 HydrophobicContact CD1-CD 3.28Å; L338-K455 HydrophobicContact CD1-CG 4.46Å; D451-K455 WeakPolarHBondContact O-CG 3.16Å; D451-K455 PolarHBondContact O-NZ 3.31Å; L452-K455 CarbonylContact O-C 3.58Å; L452-K455 WeakPolarHBondContact O-CA 3.36Å; L452-K455 WeakPolarHBondContact O-CB 3.46Å; L452-K455 PolarHBondContact O-N 2.93Å; R453-K455 PolarHBondContact O-N 2.82Å; R453-K455 VanDerWaalsContact O-N 3.11Å
456G85.8Confident92.6Very high26 Ų2614.3 Ų14.327%0.2688%0.078SC..THydrogen-bonded Turntrans77.416.8177.700000114.9R453R453-G456 PolarHBondContact O-N 3.06Å
457I91.9Very high91.9Very high1 Ų119 Ų191%0.00510%0.097CC..EExtended strand (participates in β ladder)trans-84.2124.5173.2-59.2166.4000108.7L337 L338 K346 L348 L452 R453L337-I457 HydrophobicContact CB-CD1 4.14Å; L337-I457 HydrophobicContact CD1-CD1 3.95Å; L337-I457 HydrophobicContact CD1-CG1 4.32Å; L337-I457 HydrophobicContact CD1-CG2 3.75Å; L338-I457 HydrophobicContact CD2-CD1 4.3Å; L338-I457 HydrophobicContact CG-CD1 4.35Å; K346-I457 HydrophobicContact CB-CG1 4.02Å; K346-I457 HydrophobicContact CB-CG2 4.48Å; L348-I457 HydrophobicContact CB-CG2 4.06Å; L452-I457 HydrophobicContact CB-CB 4.19Å; L452-I457 HydrophobicContact CB-CD1 4.06Å; L452-I457 HydrophobicContact CD2-CD1 4.1Å; L452-I457 HydrophobicContact CD2-CG2 4.33Å; L452-I457 HydrophobicContact CG-CD1 3.96Å; L452-I457 WeakPolarHBondContact O-CB 3.46Å; L452-I457 PolarHBondContact O-N 2.87Å; R453-I457 WeakPolarHBondContact CA-O 3Å
458E91.3Very high90.8Very high13 Ų1320 Ų206%0.06111%0.107CC..EExtended strand (participates in β ladder)trans-80127.9171-172.7-179.414100109.8R345 K346 F347 L348 Q460 T488 R626R345-E458 IonicContact CZ-OE2 3.15Å; R345-E458 IonicContact NE-OE2 3.17Å; R345-E458 IonicContact NH2-OE2 3.17Å; R345-E458 PolarHBondContact NH2-OE2 3.49Å; K346-E458 PolarHBondContact O-N 2.73Å; F347-E458 CarbonylContact C-O 3.57Å; F347-E458 WeakPolarHBondContact CA-O 3.17Å; F347-E458 HydrophobicContact CD1-CB 3.94Å; F347-E458 HydrophobicContact CD1-CG 4.1Å; F347-E458 HydrophobicContact CE1-CB 4.37Å; F347-E458 VanDerWaalsContact CE1-CD 3.41Å; F347-E458 HydrophobicContact CE1-CG 4.32Å; F347-E458 WeakPolarHBondContact CE1-OE1 3.44Å; F347-E458 WeakPolarHBondContact CE1-OE2 3.44Å; L348-E458 PolarHBondContact N-O 2.83Å; E458-Q460 PolarHBondContact OE1-NE2 2.87Å; E458-T488 WeakPolarHBondContact CA-OG1 3.44Å; E458-T488 HydrophobicContact CG-CG2 4.24Å; E458-R626 IonicContact OE1-CZ 2.61Å; E458-R626 IonicContact OE1-NE 2.91Å; E458-R626 PolarHBondContact OE1-NE 3.02Å; E458-R626 IonicContact OE1-NH2 3.88Å; E458-R626 PolarHBondContact OE1-NH2 3.19Å; E458-R626 IonicContact OE2-CZ 2.7Å; E458-R626 IonicContact OE2-NE 2.84Å; E458-R626 IonicContact OE2-NH2 2.86Å
459I95Very high89.9Confident0 Ų020.3 Ų20.30%011%0.113CC..EExtended strand (participates in β ladder)trans-110.4126.8177.8-56.7173.8000108.2L348 A449 L452 R453 M486 T487 T488L348-I459 HydrophobicContact CB-CG1 4.26Å; L348-I459 HydrophobicContact CD2-CG2 4.02Å; L348-I459 WeakPolarHBondContact O-CA 3.18Å; A449-I459 HydrophobicContact CB-CD1 3.83Å; A449-I459 WeakPolarHBondContact O-CD1 3.27Å; L452-I459 HydrophobicContact CB-CD1 3.94Å; L452-I459 HydrophobicContact CD2-CD1 4.44Å; R453-I459 HydrophobicContact CG-CD1 3.89Å; R453-I459 HydrophobicContact CG-CG1 4.25Å; I459-M486 VanDerWaalsContact CD1-O 3.32Å; I459-M486 WeakPolarHBondContact CD1-O 3.45Å; I459-M486 WeakPolarHBondContact CG2-O 3.41Å; I459-T487 HydrophobicContact CG2-CG2 4.46Å; I459-T487 CarbonylContact O-C 3.59Å; I459-T487 WeakPolarHBondContact O-CA 3.41Å; I459-T487 WeakPolarHBondContact O-CB 3.46Å; I459-T488 PolarHBondContact N-OG1 2.67Å; I459-T488 PolarHBondContact O-N 3.34Å
460Q93.6Very high88.7Confident0 Ų025.2 Ų25.20%015%0.154CC..EExtended strand (participates in β ladder)trans-121.4150.3165.2-38.5-171.81.700109.7L348 F349 L350 E458 Y502 S522L348-Q460 PolarHBondContact O-N 2.94Å; F349-Q460 WeakPolarHBondContact CA-O 3.33Å; F349-Q460 HydrophobicContact CD1-CB 3.92Å; F349-Q460 HydrophobicContact CD1-CG 4.21Å; F349-Q460 HydrophobicContact CE1-CB 4.06Å; F349-Q460 HydrophobicContact CE1-CG 3.9Å; L350-Q460 PolarHBondContact N-O 2.63Å; E458-Q460 PolarHBondContact OE1-NE2 2.87Å; Q460-Y502 WeakPolarHBondContact CA-O 3.41Å; Q460-Y502 WeakPolarHBondContact CB-O 3.32Å; Q460-Y502 HydrophobicContact CG-CD1 4.3Å; Q460-Y502 HydrophobicContact CG-CG 4.18Å; Q460-S522 PolarHBondContact NE2-OG 3.48Å
461A94.8Very high87.9Confident1 Ų127.4 Ų27.41%0.00818%0.176CC..EExtended strand (participates in β ladder)trans-136.9147.6-179.700000113.3L350 T487 Y502 F503 Y504L350-A461 HydrophobicContact CB-CB 3.91Å; L350-A461 HydrophobicContact CD2-CB 4.28Å; L350-A461 HydrophobicContact CG-CB 4.29Å; L350-A461 CarbonylContact O-C 3.58Å; L350-A461 WeakPolarHBondContact O-CA 3.43Å; A461-T487 HydrophobicContact CB-CG2 3.45Å; A461-T487 VanDerWaalsContact CB-CG2 3.45Å; A461-Y502 PolarHBondContact N-O 3.25Å; A461-Y502 VanDerWaalsContact N-O 3.07Å; A461-F503 HydrophobicContact CB-CD2 4.08Å; A461-F503 WeakPolarHBondContact O-CA 3.44Å; A461-Y504 PolarHBondContact O-N 2.9Å
462I91.8Very high87.4Confident0 Ų026.9 Ų26.90%017%0.172CC..EExtended strand (participates in β ladder)trans-113.6119.4166.1-68.7165000107.4L350 L351 T352 M464 Y504 A506 F512 S515 F516 W519L350-I462 PolarHBondContact O-N 3.31Å; L351-I462 HydrophobicContact CD1-CB 3.82Å; L351-I462 HydrophobicContact CD1-CG2 3.89Å; T352-I462 PolarHBondContact N-O 3.31Å; I462-M464 HydrophobicContact CG2-CG 4.34Å; I462-Y504 CarbonylContact C-O 3.59Å; I462-Y504 VanDerWaalsContact CA-O 3.28Å; I462-Y504 WeakPolarHBondContact CA-O 3.44Å; I462-Y504 HydrophobicContact CG1-CD2 4.38Å; I462-A506 HydrophobicContact CG2-CB 4.12Å; I462-F512 HydrophobicContact CG2-CD2 3.9Å; I462-F512 HydrophobicContact CG2-CE2 3.74Å; I462-S515 VanDerWaalsContact CD1-CB 3.45Å; I462-F516 HydrophobicContact CD1-CD2 3.38Å; I462-F516 HydrophobicContact CD1-CE2 3.37Å; I462-F516 HydrophobicContact CD1-CG 4.31Å; I462-F516 HydrophobicContact CD1-CZ 4.33Å; I462-W519 HydrophobicContact CB-CH2 4.03Å; I462-W519 HydrophobicContact CB-CZ2 3.89Å; I462-W519 HydrophobicContact CD1-CD2 3.69Å; I462-W519 VanDerWaalsContact CD1-CE2 3.48Å; I462-W519 HydrophobicContact CD1-CE3 3.77Å; I462-W519 HydrophobicContact CD1-CH2 3.53Å; I462-W519 HydrophobicContact CD1-CZ2 3.46Å; I462-W519 VanDerWaalsContact CD1-CZ2 3.46Å; I462-W519 HydrophobicContact CD1-CZ3 3.67Å; I462-W519 HydrophobicContact CG1-CD2 4.32Å; I462-W519 HydrophobicContact CG1-CH2 3.77Å; I462-W519 HydrophobicContact CG1-CZ2 3.33Å; I462-W519 HydrophobicContact CG1-CZ3 4.42Å
463A91.5Very high86.9Confident0 Ų030.5 Ų30.50%019%0.188CC..EExtended strand (participates in β ladder)trans-89.6129.9169.700000110.4T352 L483 F503 Y504 Q505 A506T352-A463 WeakPolarHBondContact O-CA 3.41Å; A463-L483 HydrophobicContact CB-CD1 3.77Å; A463-F503 HydrophobicContact CB-CE1 4.37Å; A463-F503 HydrophobicContact CB-CE2 3.63Å; A463-F503 HydrophobicContact CB-CZ 3.32Å; A463-Y504 PolarHBondContact N-O 2.82Å; A463-Q505 HydrophobicContact CB-CG 4.48Å; A463-A506 PolarHBondContact O-N 2.78Å
464M87.8Confident86.6Confident0 Ų029.1 Ų29.10%018%0.183CC..EExtended strand (participates in β ladder)trans-10479.8-179.3-58.9-172.373.700110.7M244 I253 R258 V261 S262 L351 T352 I462 F512M244-M464 HydrophobicContact CE-SD 4.05Å; I253-M464 HydrophobicContact CG1-CB 4.45Å; I253-M464 HydrophobicContact CG1-CE 4.18Å; R258-M464 HydrophobicContact CB-CE 4.14Å; R258-M464 HydrophobicContact CG-CB 4.2Å; R258-M464 HydrophobicContact CG-CE 4.45Å; R258-M464 VanDerWaalsContact CZ-O 3.26Å; R258-M464 PolarHBondContact NE-O 2.98Å; R258-M464 VanDerWaalsContact NE-O 3.07Å; R258-M464 WeakPolarHBondContact O-CE 3.44Å; V261-M464 HydrophobicContact CB-CE 3.97Å; V261-M464 HydrophobicContact CG1-CE 3.78Å; S262-M464 WeakPolarHBondContact OG-CE 3.36Å; S262-M464 PolarHBondContact OG-SD 2.77Å; L351-M464 HydrophobicContact CD1-CG 3.91Å; L351-M464 HydrophobicContact CD1-SD 3.6Å; L351-M464 HydrophobicContact CD2-SD 4.42Å; L351-M464 HydrophobicContact CG-SD 3.99Å; T352-M464 PolarHBondContact O-N 3.41Å; I462-M464 HydrophobicContact CG2-CG 4.34Å; M464-F512 HydrophobicContact CE-CD2 4.21Å; M464-F512 HydrophobicContact CE-CE1 4.37Å; M464-F512 HydrophobicContact CE-CE2 3.52Å; M464-F512 HydrophobicContact CE-CZ 3.63Å; M464-F512 HydrophobicContact CG-CE2 3.91Å; M464-F512 HydrophobicContact SD-CE2 3.75Å; M464-F512 HydrophobicContact SD-CZ 3.99Å
465G80.6Confident86.4Confident12 Ų1229.1 Ų29.112%0.12419%0.187CC..SBendtrans58.961.1-179.900000113R258 Y467 A506R258-G465 PolarHBondContact NH2-O 2.89Å; G465-Y467 PolarHBondContact O-N 2.73Å; G465-Y467 VanDerWaalsContact O-N 3.16Å; G465-A506 PolarHBondContact N-O 2.93Å
466A81.2Confident86.3Confident8 Ų826.9 Ų26.97%0.06619%0.186CC..  trans-55.9122.9-170.700000113.5D353 V480 L483D353-A466 WeakPolarHBondContact O-CA 3.38Å; D353-A466 WeakPolarHBondContact O-CB 3.16Å; A466-V480 HydrophobicContact CB-CG2 3.86Å; A466-L483 HydrophobicContact CB-CD1 4.07Å
467Y82.1Confident86.4Confident100 Ų10032.1 Ų32.139%0.39220%0.204SC..  trans-151.5123.5-175.3-174.5-105.4000110.8E250 Y251 G465E250-Y467 HydrophobicContact CG-CD1 4.27Å; E250-Y467 HydrophobicContact CG-CE1 4.02Å; Y251-Y467 HydrophobicContact CD1-CD1 4.41Å; Y251-Y467 AromaticContact CE1-CD1 3.57Å; Y251-Y467 HydrophobicContact CE1-CD1 3.57Å; Y251-Y467 HydrophobicContact CE1-CE1 4.21Å; Y251-Y467 HydrophobicContact CE2-CD1 4.19Å; Y251-Y467 HydrophobicContact CE2-CE1 4.13Å; Y251-Y467 AromaticContact CZ-CD1 3.45Å; Y251-Y467 VanDerWaalsContact CZ-CD1 3.45Å; Y251-Y467 AromaticContact CZ-CE1 3.6Å; Y251-Y467 WeakPolarHBondContact OH-CD1 3.44Å; Y251-Y467 VanDerWaalsContact OH-CE1 3.23Å; Y251-Y467 WeakPolarHBondContact OH-CE1 3.34Å; G465-Y467 PolarHBondContact O-N 2.73Å; G465-Y467 VanDerWaalsContact O-N 3.16Å
468G76.5Confident86.4Confident20 Ų2034 Ų3421%0.20622%0.215CC..  trans-85.7-7.2-173.700000115.9L479G468-L479 VanDerWaalsContact N-CD1 3.34Å
469G78.3Confident86.5Confident17 Ų1733.4 Ų33.418%0.17521%0.213CC..  trans74-166.3178.600000114.5G471 E472G469-G471 PolarHBondContact O-N 3.42Å; G469-E472 PolarHBondContact O-N 2.87Å
470A74.1Confident86.5Confident103 Ų10333.8 Ų33.885%0.85122%0.215SC*.THydrogen-bonded Turntrans-71.7128.2-176.200000111.8E472A470-E472 VanDerWaalsContact C-N 3.33Å
471G78.6Confident86.5Confident47 Ų4736.8 Ų36.849%0.48523%0.228SC..THydrogen-bonded Turntrans86.70.8-179.800000114.6A402 G469 F473A402-G471 WeakPolarHBondContact CB-O 3.39Å; G469-G471 PolarHBondContact O-N 3.42Å; G471-F473 WeakPolarHBondContact O-CD2 3.12Å
472E87.1Confident86.5Confident28 Ų2836.8 Ų36.813%0.13123%0.227CC..  trans-68.4130.6163.4-179.961.4-112.400110.3T403 S404 G469 A470 H474 L479T403-E472 WeakPolarHBondContact CA-OE2 3.27Å; T403-E472 WeakPolarHBondContact CB-OE2 3.43Å; T403-E472 PolarHBondContact N-OE2 2.98Å; T403-E472 PolarHBondContact OG1-OE2 3.47Å; S404-E472 WeakPolarHBondContact CB-OE1 3.34Å; S404-E472 PolarHBondContact N-OE1 3.36Å; S404-E472 PolarHBondContact OG-OE1 2.93Å; G469-E472 PolarHBondContact O-N 2.87Å; A470-E472 VanDerWaalsContact C-N 3.33Å; E472-H474 HydrophobicContact CG-CB 4.2Å; E472-H474 WeakPolarHBondContact CG-O 3.47Å; E472-H474 VanDerWaalsContact OE1-CB 3.28Å; E472-H474 WeakPolarHBondContact OE1-CB 3.3Å; E472-H474 IonicContact OE1-CD2 3.38Å; E472-H474 PolarHBondContact OE1-CD2 3.49Å; E472-H474 IonicContact OE1-CG 3.13Å; E472-H474 PolarHBondContact OE1-N 2.98Å; E472-L479 HydrophobicContact CG-CD1 4.35Å
473F85.4Confident86.7Confident77 Ų7736.8 Ų36.834%0.33823%0.227SC..  trans-98.2-20175.8-73.5-83.7000113S404 Y406 V407 L408 G471S404-F473 WeakPolarHBondContact OG-CD2 3.4Å; S404-F473 PolarHBondContact OG-N 3.36Å; Y406-F473 HydrophobicContact CE2-CB 4.15Å; Y406-F473 HydrophobicContact CE2-CG 4.3Å; Y406-F473 WeakPolarHBondContact O-CD2 3.37Å; V407-F473 HydrophobicContact CB-CE2 4.39Å; V407-F473 HydrophobicContact CG1-CE2 4.17Å; V407-F473 HydrophobicContact CG1-CZ 4.4Å; L408-F473 HydrophobicContact CB-CE1 3.66Å; L408-F473 HydrophobicContact CB-CZ 3.84Å; L408-F473 HydrophobicContact CD1-CD1 4.31Å; L408-F473 HydrophobicContact CD1-CE1 4.04Å; L408-F473 HydrophobicContact CG-CD1 4.3Å; L408-F473 HydrophobicContact CG-CE1 3.86Å; L408-F473 HydrophobicContact CG-CZ 4.37Å; L408-F473 VanDerWaalsContact N-CZ 3.33Å; G471-F473 WeakPolarHBondContact O-CD2 3.12Å
474H88.3Confident86.9Confident16 Ų1637.6 Ų37.67%0.07423%0.231CC..SBendtrans-71.2134.5171.3-62.8-50.8000110.6S440 E472 V478 L479S440-H474 WeakPolarHBondContact CB-NE2 3.42Å; S440-H474 PolarHBondContact OG-NE2 3.23Å; E472-H474 HydrophobicContact CG-CB 4.2Å; E472-H474 WeakPolarHBondContact CG-O 3.47Å; E472-H474 VanDerWaalsContact OE1-CB 3.28Å; E472-H474 WeakPolarHBondContact OE1-CB 3.3Å; E472-H474 IonicContact OE1-CD2 3.38Å; E472-H474 PolarHBondContact OE1-CD2 3.49Å; E472-H474 IonicContact OE1-CG 3.13Å; E472-H474 PolarHBondContact OE1-N 2.98Å; H474-V478 HydrophobicContact CB-CB 4.01Å; H474-V478 HydrophobicContact CB-CG1 3.78Å; H474-V478 WeakPolarHBondContact ND1-CG1 3.49Å; H474-L479 HydrophobicContact CB-CD2 3.88Å; H474-L479 HydrophobicContact CB-CG 4.11Å
475S88.2Confident87.3Confident51 Ų5138.2 Ų38.236%0.35723%0.234SC..  trans-65.6162.8168.479.80000110.6E477 V478 L479S475-E477 WeakPolarHBondContact CB-OE2 3.42Å; S475-E477 PolarHBondContact O-N 2.96Å; S475-E477 PolarHBondContact OG-N 3.29Å; S475-E477 PolarHBondContact OG-OE2 3.41Å; S475-V478 PolarHBondContact O-N 3.12Å; S475-V478 VanDerWaalsContact O-N 3.08Å; S475-V478 PolarHBondContact OG-N 3.47Å; S475-L479 PolarHBondContact O-N 3.31Å
476A87.7Confident88Confident45 Ų4537.7 Ų37.737%0.37223%0.228SC..Hα-helixtrans-56.9-38176.100000111.4V478 L479 V480A476-V478 VanDerWaalsContact C-N 3.34Å; A476-V478 PolarHBondContact O-N 2.75Å; A476-L479 PolarHBondContact O-N 3.44Å; A476-V480 VanDerWaalsContact O-CG2 3.27Å; A476-V480 WeakPolarHBondContact O-CG2 3.31Å; A476-V480 PolarHBondContact O-N 2.57Å
477E89.5Confident88.7Confident135 Ų13537.3 Ų37.363%0.63123%0.225SC*.Hα-helixtrans-63.9-38.3177.3-54.576.4-162.800112S475 K481S475-E477 WeakPolarHBondContact CB-OE2 3.42Å; S475-E477 PolarHBondContact O-N 2.96Å; S475-E477 PolarHBondContact OG-N 3.29Å; S475-E477 PolarHBondContact OG-OE2 3.41Å; E477-K481 WeakPolarHBondContact O-CB 3.48Å; E477-K481 PolarHBondContact O-N 3.17Å
478V91.8Very high89.1Confident41 Ų4133.1 Ų33.125%0.24821%0.21CC..Hα-helixtrans-67.7-39.6176.1173.40000110.9F372 H474 S475 A476 K481 G482F372-V478 HydrophobicContact CE1-CG1 3.82Å; F372-V478 WeakPolarHBondContact CE1-O 3.31Å; F372-V478 HydrophobicContact CZ-CG1 4Å; H474-V478 HydrophobicContact CB-CB 4.01Å; H474-V478 HydrophobicContact CB-CG1 3.78Å; H474-V478 WeakPolarHBondContact ND1-CG1 3.49Å; S475-V478 PolarHBondContact O-N 3.12Å; S475-V478 VanDerWaalsContact O-N 3.08Å; S475-V478 PolarHBondContact OG-N 3.47Å; A476-V478 VanDerWaalsContact C-N 3.34Å; A476-V478 PolarHBondContact O-N 2.75Å; V478-K481 PolarHBondContact O-N 3.46Å; V478-G482 PolarHBondContact O-N 3.47Å
479L93.1Very high89.7Confident1 Ų136 Ų361%0.00522%0.218CC..Hα-helixtrans-63.9-48.8175.4-64.4176.5000111.4T403 L442 G468 E472 H474 S475 A476 K481 G482 L483T403-L479 HydrophobicContact CG2-CD2 3.97Å; L442-L479 HydrophobicContact CD1-CD2 4.23Å; G468-L479 VanDerWaalsContact N-CD1 3.34Å; E472-L479 HydrophobicContact CG-CD1 4.35Å; H474-L479 HydrophobicContact CB-CD2 3.88Å; H474-L479 HydrophobicContact CB-CG 4.11Å; S475-L479 PolarHBondContact O-N 3.31Å; A476-L479 PolarHBondContact O-N 3.44Å; L479-K481 VanDerWaalsContact C-N 3.3Å; L479-K481 PolarHBondContact O-N 3.24Å; L479-G482 WeakPolarHBondContact O-CA 3.28Å; L479-G482 PolarHBondContact O-N 3.43Å; L479-G482 VanDerWaalsContact O-N 3.1Å; L479-L483 WeakPolarHBondContact O-CG 3.33Å; L479-L483 PolarHBondContact O-N 3.08Å
480V93.9Very high89.9Confident8 Ų836.7 Ų36.75%0.04822%0.215CC..Hα-helixtrans-58.2-43.9176.1171.80000110.8A466 A476 G482 L483 Y484 F503 Q505A466-V480 HydrophobicContact CB-CG2 3.86Å; A476-V480 VanDerWaalsContact O-CG2 3.27Å; A476-V480 WeakPolarHBondContact O-CG2 3.31Å; A476-V480 PolarHBondContact O-N 2.57Å; V480-G482 VanDerWaalsContact C-N 3.34Å; V480-G482 PolarHBondContact O-N 2.87Å; V480-L483 WeakPolarHBondContact O-CB 3.24Å; V480-L483 PolarHBondContact O-N 2.84Å; V480-Y484 HydrophobicContact CG1-CD1 4.31Å; V480-Y484 WeakPolarHBondContact O-CD1 3.45Å; V480-Y484 PolarHBondContact O-N 2.92Å; V480-F503 HydrophobicContact CG1-CE1 3.82Å; V480-F503 HydrophobicContact CG1-CZ 3.92Å; V480-Q505 VanDerWaalsContact CG2-NE2 3.29Å
481K94.5Very high89.8Confident63 Ų6332.8 Ų32.827%0.27418%0.183SC..Hα-helixtrans-60.3-42.2174.2-178.7158.7-169.4171.60113.3F372 E477 V478 L479 L483 Y484 K485F372-K481 HydrophobicContact CD1-CG 4.12Å; F372-K481 HydrophobicContact CD2-CD 4.15Å; F372-K481 HydrophobicContact CD2-CG 3.96Å; F372-K481 HydrophobicContact CE1-CB 3.99Å; F372-K481 HydrophobicContact CE1-CD 4.36Å; F372-K481 HydrophobicContact CE1-CG 3.78Å; F372-K481 HydrophobicContact CE2-CD 3.49Å; F372-K481 VanDerWaalsContact CE2-CD 3.49Å; F372-K481 HydrophobicContact CE2-CG 3.64Å; F372-K481 HydrophobicContact CG-CG 4.19Å; F372-K481 HydrophobicContact CZ-CB 3.99Å; F372-K481 HydrophobicContact CZ-CD 3.61Å; F372-K481 HydrophobicContact CZ-CG 3.54Å; E477-K481 WeakPolarHBondContact O-CB 3.48Å; E477-K481 PolarHBondContact O-N 3.17Å; V478-K481 PolarHBondContact O-N 3.46Å; L479-K481 VanDerWaalsContact C-N 3.3Å; L479-K481 PolarHBondContact O-N 3.24Å; K481-L483 PolarHBondContact O-N 3.07Å; K481-Y484 HydrophobicContact CB-CD1 4.48Å; K481-Y484 HydrophobicContact CB-CE1 3.78Å; K481-Y484 VanDerWaalsContact CD-OH 3.26Å; K481-Y484 WeakPolarHBondContact CD-OH 3.32Å; K481-Y484 WeakPolarHBondContact CE-OH 3.22Å; K481-Y484 HydrophobicContact CG-CE1 3.99Å; K481-Y484 HydrophobicContact CG-CE2 4.09Å; K481-Y484 VanDerWaalsContact CG-OH 3.24Å; K481-Y484 WeakPolarHBondContact CG-OH 3.41Å; K481-K485 HydrophobicContact CG-CG 4.41Å; K481-K485 VanDerWaalsContact O-CB 3.27Å; K481-K485 WeakPolarHBondContact O-CB 3.28Å; K481-K485 WeakPolarHBondContact O-CG 3.45Å; K481-K485 PolarHBondContact O-N 2.87Å; K481-K485 VanDerWaalsContact O-N 3.13Å
482G95.4Very high89.2Confident0 Ų035.2 Ų35.20%019%0.185CC..Hα-helixtrans-56-39.217200000113.1N446 V478 L479 V480 M486N446-G482 PolarHBondContact ND2-O 3.45Å; N446-G482 PolarHBondContact OD1-O 2.93Å; V478-G482 PolarHBondContact O-N 3.47Å; L479-G482 WeakPolarHBondContact O-CA 3.28Å; L479-G482 PolarHBondContact O-N 3.43Å; L479-G482 VanDerWaalsContact O-N 3.1Å; V480-G482 VanDerWaalsContact C-N 3.34Å; V480-G482 PolarHBondContact O-N 2.87Å; G482-M486 WeakPolarHBondContact O-CE 3.34Å; G482-M486 WeakPolarHBondContact O-CG 3.5Å
483L95.6Very high88.3Confident0 Ų035.5 Ų35.50%019%0.188CC..Hα-helixtrans-74.8-49.7-179.9-63165.1000113.4T352 G354 A463 A466 L479 V480 K481 K485 M486 F503T352-L483 HydrophobicContact CG2-CD2 3.78Å; G354-L483 VanDerWaalsContact CA-CD2 3.46Å; A463-L483 HydrophobicContact CB-CD1 3.77Å; A466-L483 HydrophobicContact CB-CD1 4.07Å; L479-L483 WeakPolarHBondContact O-CG 3.33Å; L479-L483 PolarHBondContact O-N 3.08Å; V480-L483 WeakPolarHBondContact O-CB 3.24Å; V480-L483 PolarHBondContact O-N 2.84Å; K481-L483 PolarHBondContact O-N 3.07Å; L483-K485 PolarHBondContact O-N 3.39Å; L483-M486 HydrophobicContact CD2-CE 3.75Å; L483-M486 HydrophobicContact CD2-SD 4.44Å; L483-M486 VanDerWaalsContact O-CB 3.31Å; L483-M486 WeakPolarHBondContact O-CB 3.48Å; L483-M486 PolarHBondContact O-N 3.2Å; L483-F503 HydrophobicContact CB-CD2 4.26Å; L483-F503 HydrophobicContact CB-CE2 3.5Å; L483-F503 VanDerWaalsContact CB-CE2 3.5Å; L483-F503 HydrophobicContact CB-CZ 4.18Å; L483-F503 HydrophobicContact CD1-CE2 4.3Å; L483-F503 HydrophobicContact CD1-CZ 4.49Å
484Y95.2Very high87.7Confident17 Ų1738.9 Ų38.97%0.06722%0.216CC..Hα-helixtrans-63.7-28.6-179.771.5-121.1000111.2V480 K481 M486 T487 N496 E498 Y501 F503V480-Y484 HydrophobicContact CG1-CD1 4.31Å; V480-Y484 WeakPolarHBondContact O-CD1 3.45Å; V480-Y484 PolarHBondContact O-N 2.92Å; K481-Y484 HydrophobicContact CB-CD1 4.48Å; K481-Y484 HydrophobicContact CB-CE1 3.78Å; K481-Y484 VanDerWaalsContact CD-OH 3.26Å; K481-Y484 WeakPolarHBondContact CD-OH 3.32Å; K481-Y484 WeakPolarHBondContact CE-OH 3.22Å; K481-Y484 HydrophobicContact CG-CE1 3.99Å; K481-Y484 HydrophobicContact CG-CE2 4.09Å; K481-Y484 VanDerWaalsContact CG-OH 3.24Å; K481-Y484 WeakPolarHBondContact CG-OH 3.41Å; Y484-M486 VanDerWaalsContact C-N 3.26Å; Y484-M486 PolarHBondContact O-N 3.44Å; Y484-T487 WeakPolarHBondContact O-CB 3.14Å; Y484-T487 PolarHBondContact O-N 3.1Å; Y484-T487 PolarHBondContact O-OG1 3.34Å; Y484-N496 PolarHBondContact OH-O 3.13Å; Y484-E498 HydrophobicContact CD1-CB 3.87Å; Y484-E498 HydrophobicContact CD1-CG 3.98Å; Y484-E498 HydrophobicContact CE1-CB 3.97Å; Y484-Y501 HydrophobicContact CD2-CD1 4.47Å; Y484-Y501 AromaticContact CD2-CD2 3.34Å; Y484-Y501 HydrophobicContact CD2-CD2 3.34Å; Y484-Y501 AromaticContact CD2-CE2 3.66Å; Y484-Y501 HydrophobicContact CD2-CE2 3.66Å; Y484-Y501 AromaticContact CD2-CG 3.81Å; Y484-Y501 HydrophobicContact CD2-CG 3.81Å; Y484-Y501 AromaticContact CE2-CD2 3.79Å; Y484-Y501 HydrophobicContact CE2-CD2 3.79Å; Y484-Y501 AromaticContact CE2-CE2 3.72Å; Y484-Y501 HydrophobicContact CE2-CE2 3.72Å; Y484-Y501 HydrophobicContact CG-CD2 4.25Å; Y484-Y501 HydrophobicContact CG-CG 4.48Å; Y484-Y501 WeakPolarHBondContact O-CD1 3.31Å; Y484-F503 VanDerWaalsContact CB-CG 3.44Å
485K95.4Very high87.2Confident14 Ų1439.6 Ų39.66%0.06123%0.227CC..THydrogen-bonded Turntrans-66.1-21.3171.9-73.4-66.4-167173.10114.9F372 N446 R453 K481 L483 T487 N496 Y501F372-K485 HydrophobicContact CB-CB 4.07Å; F372-K485 HydrophobicContact CB-CG 3.85Å; F372-K485 HydrophobicContact CG-CG 4.24Å; N446-K485 WeakPolarHBondContact OD1-CB 3.24Å; N446-K485 PolarHBondContact OD1-O 3.06Å; N446-K485 VanDerWaalsContact OD1-O 3.12Å; R453-K485 PolarHBondContact NH1-O 2.97Å; K481-K485 HydrophobicContact CG-CG 4.41Å; K481-K485 VanDerWaalsContact O-CB 3.27Å; K481-K485 WeakPolarHBondContact O-CB 3.28Å; K481-K485 WeakPolarHBondContact O-CG 3.45Å; K481-K485 PolarHBondContact O-N 2.87Å; K481-K485 VanDerWaalsContact O-N 3.13Å; L483-K485 PolarHBondContact O-N 3.39Å; K485-T487 VanDerWaalsContact C-N 3.27Å; K485-N496 VanDerWaalsContact CE-OD1 3.26Å; K485-N496 WeakPolarHBondContact CE-OD1 3.19Å; K485-N496 PolarHBondContact NZ-OD1 2.85Å; K485-Y501 HydrophobicContact CD-CE1 4.36Å; K485-Y501 HydrophobicContact CD-CE2 4.42Å; K485-Y501 PolarHBondContact NZ-OH 3.05Å
486M96.4Very high87.1Confident0 Ų041.2 Ų41.20%023%0.232CC..THydrogen-bonded Turntrans-74.5-21.5169.8-60.1-179.1-142.700111.7T326 L350 L442 A445 N446 A449 R453 I459 G482 L483 Y484T326-M486 HydrophobicContact CG2-SD 4.41Å; L350-M486 HydrophobicContact CD2-SD 4.25Å; L442-M486 HydrophobicContact CD2-CE 3.49Å; L442-M486 VanDerWaalsContact CD2-CE 3.49Å; A445-M486 HydrophobicContact CB-CE 3.72Å; A445-M486 HydrophobicContact CB-SD 3.8Å; N446-M486 PolarHBondContact OD1-N 2.91Å; N446-M486 VanDerWaalsContact OD1-N 3.11Å; A449-M486 HydrophobicContact CB-CB 3.75Å; A449-M486 HydrophobicContact CB-CG 4.15Å; A449-M486 WeakPolarHBondContact CB-O 3.44Å; R453-M486 PolarHBondContact NH1-O 2.98Å; I459-M486 VanDerWaalsContact CD1-O 3.32Å; I459-M486 WeakPolarHBondContact CD1-O 3.45Å; I459-M486 WeakPolarHBondContact CG2-O 3.41Å; G482-M486 WeakPolarHBondContact O-CE 3.34Å; G482-M486 WeakPolarHBondContact O-CG 3.5Å; L483-M486 HydrophobicContact CD2-CE 3.75Å; L483-M486 HydrophobicContact CD2-SD 4.44Å; L483-M486 VanDerWaalsContact O-CB 3.31Å; L483-M486 WeakPolarHBondContact O-CB 3.48Å; L483-M486 PolarHBondContact O-N 3.2Å; Y484-M486 VanDerWaalsContact C-N 3.26Å; Y484-M486 PolarHBondContact O-N 3.44Å
487T95Very high87.2Confident1 Ų141.2 Ų41.21%0.00623%0.229CC..SBendtrans-85.3170.3-176.675.30000112.6I459 A461 Y484 K485 Y501 F503I459-T487 HydrophobicContact CG2-CG2 4.46Å; I459-T487 CarbonylContact O-C 3.59Å; I459-T487 WeakPolarHBondContact O-CA 3.41Å; I459-T487 WeakPolarHBondContact O-CB 3.46Å; A461-T487 HydrophobicContact CB-CG2 3.45Å; A461-T487 VanDerWaalsContact CB-CG2 3.45Å; Y484-T487 WeakPolarHBondContact O-CB 3.14Å; Y484-T487 PolarHBondContact O-N 3.1Å; Y484-T487 PolarHBondContact O-OG1 3.34Å; K485-T487 VanDerWaalsContact C-N 3.27Å; T487-Y501 WeakPolarHBondContact OG1-CB 3.01Å; T487-F503 HydrophobicContact CG2-CB 4.21Å; T487-F503 HydrophobicContact CG2-CD2 4.25Å
488T92Very high87.3Confident12 Ų1237.9 Ų37.97%0.07421%0.213CC..PPolyproline II helixtrans-72132.3173.7-65.20000110.1A124 E458 I459 Y502A124-T488 HydrophobicContact CB-CG2 4.47Å; E458-T488 WeakPolarHBondContact CA-OG1 3.44Å; E458-T488 HydrophobicContact CG-CG2 4.24Å; I459-T488 PolarHBondContact N-OG1 2.67Å; I459-T488 PolarHBondContact O-N 3.34Å; T488-Y502 HydrophobicContact CG2-CD2 4.2Å; T488-Y502 WeakPolarHBondContact O-CD2 3.5Å; T488-Y502 PolarHBondContact O-N 3.21Å
489Q88.5Confident87.1Confident81 Ų8142 Ų4238%0.37923%0.228SC..BIsolated β-bridgetrans-74.9139170.5-171.1172.32.300110.1T493 G495 D500 Y501Q489-T493 PolarHBondContact NE2-O 3.01Å; Q489-G495 PolarHBondContact NE2-O 2.95Å; Q489-D500 CarbonylContact C-O 3.52Å; Q489-D500 WeakPolarHBondContact CA-O 3.46Å; Q489-D500 WeakPolarHBondContact CG-O 3.15Å; Q489-Y501 HydrophobicContact CB-CD1 4.02Å; Q489-Y501 HydrophobicContact CB-CE1 3.67Å; Q489-Y501 HydrophobicContact CG-CE1 4.12Å
490R82.4Confident86.9Confident30 Ų3042.5 Ų42.511%0.11323%0.231CC..PPolyproline II helixtrans-68.6132.6176.2-61.9176-172.3-84.70.2109.9N492 T493 K499 D500 Y501 Y502 N625R490-N492 VanDerWaalsContact C-N 3.28Å; R490-N492 PolarHBondContact O-N 3.29Å; R490-T493 HydrophobicContact CB-CG2 3.89Å; R490-T493 PolarHBondContact O-N 3.02Å; R490-T493 VanDerWaalsContact O-N 3.09Å; R490-T493 PolarHBondContact O-OG1 2.91Å; R490-K499 WeakPolarHBondContact CD-O 3.45Å; R490-K499 PolarHBondContact NE-O 2.78Å; R490-D500 PolarHBondContact N-O 3.18Å; R490-Y501 PolarHBondContact NE-O 3.12Å; R490-Y501 VanDerWaalsContact NE-O 3.11Å; R490-Y501 PolarHBondContact NH2-O 2.87Å; R490-Y502 HydrophobicContact CG-CD2 4.07Å; R490-Y502 HydrophobicContact CG-CE2 3.81Å; R490-Y502 VanDerWaalsContact NH1-CE1 3.35Å; R490-N625 CarbonylContact C-O 3.5Å; R490-N625 WeakPolarHBondContact CA-O 3.29Å; R490-N625 HydrophobicContact CB-CB 4.29Å
491A72.8Confident86.8Confident21 Ų2142.7 Ų42.717%0.17423%0.231CC..THydrogen-bonded Turntrans-60.9-29.3-170.500000115.1T493 N625A491-T493 VanDerWaalsContact C-N 3.34Å; A491-N625 PolarHBondContact N-O 3.44Å
492N65.5Low86.6Confident98 Ų9839.8 Ų39.852%0.52422%0.218SC..THydrogen-bonded Turntrans-85.9-0.9179.8-76.6-22.7000114.8R490 P624 N625R490-N492 VanDerWaalsContact C-N 3.28Å; R490-N492 PolarHBondContact O-N 3.29Å; N492-P624 VanDerWaalsContact CG-C 3.47Å; N492-P624 VanDerWaalsContact ND2-CB 3.29Å; N492-P624 WeakPolarHBondContact ND2-CB 3.26Å; N492-P624 PolarHBondContact ND2-O 3.42Å; N492-P624 PolarHBondContact OD1-O 3.28Å; N492-N625 PolarHBondContact ND2-N 3.04Å; N492-N625 PolarHBondContact ND2-OD1 2.97Å
493T68.7Low86.5Confident34 Ų3440.2 Ų40.221%0.20922%0.22CC..  trans-103.3130.7-17465.30000110Q489 R490 A491 D500Q489-T493 PolarHBondContact NE2-O 3.01Å; R490-T493 HydrophobicContact CB-CG2 3.89Å; R490-T493 PolarHBondContact O-N 3.02Å; R490-T493 VanDerWaalsContact O-N 3.09Å; R490-T493 PolarHBondContact O-OG1 2.91Å; A491-T493 VanDerWaalsContact C-N 3.34Å; T493-D500 VanDerWaalsContact CB-OD1 3.24Å; T493-D500 WeakPolarHBondContact CB-OD1 3.46Å; T493-D500 HydrophobicContact CG2-CB 4.28Å; T493-D500 WeakPolarHBondContact CG2-OD1 3.23Å; T493-D500 WeakPolarHBondContact OG1-CB 3.27Å; T493-D500 PolarHBondContact OG1-O 2.78Å
494T71.1Confident86.2Confident149 Ų14941.7 Ų41.791%0.91423%0.226SC*.  trans-99.5-7.2169.553.60000111.7
495G79Confident85.8Confident30 Ų3043.9 Ų43.931%0.30924%0.236SC..  trans-70.6178.1179.800000113.6Q489 D500Q489-G495 PolarHBondContact NE2-O 2.95Å; G495-D500 WeakPolarHBondContact CA-OD2 3.28Å
496N84.9Confident85.2Confident86 Ų8643.2 Ų43.246%0.4623%0.233SC..  trans-135.517.3-176.1-162.841.2000112.6Y484 K485 D500Y484-N496 PolarHBondContact OH-O 3.13Å; K485-N496 VanDerWaalsContact CE-OD1 3.26Å; K485-N496 WeakPolarHBondContact CE-OD1 3.19Å; K485-N496 PolarHBondContact NZ-OD1 2.85Å; N496-D500 PolarHBondContact N-OD2 3.29Å
497S90.7Very high84.4Confident44 Ų4447.9 Ų47.931%0.30826%0.255SS..SBendtrans-99.2169.3-176.467.10000110.8K499 D500 Y501S497-K499 VanDerWaalsContact C-N 3.32Å; S497-K499 PolarHBondContact O-N 2.61Å; S497-K499 VanDerWaalsContact OG-CG 3.28Å; S497-K499 WeakPolarHBondContact OG-CG 3.08Å; S497-D500 WeakPolarHBondContact CA-OD2 3.43Å; S497-D500 PolarHBondContact N-OD2 3.18Å; S497-D500 VanDerWaalsContact O-CB 3.3Å; S497-D500 WeakPolarHBondContact O-CB 3.47Å; S497-D500 PolarHBondContact O-N 3.09Å; S497-D500 VanDerWaalsContact O-N 3.07Å; S497-D500 PolarHBondContact OG-OD2 2.97Å; S497-Y501 VanDerWaalsContact O-CD2 3.26Å; S497-Y501 WeakPolarHBondContact O-CD2 3.26Å
498E91.1Very high83.8Confident65 Ų6551 Ų5130%0.30427%0.272SS..G310 helixtrans-55.5-42.1-176.2-173.5177.414600113.6Y484 D500 Y501 F503Y484-E498 HydrophobicContact CD1-CB 3.87Å; Y484-E498 HydrophobicContact CD1-CG 3.98Å; Y484-E498 HydrophobicContact CE1-CB 3.97Å; E498-D500 PolarHBondContact O-N 2.9Å; E498-Y501 PolarHBondContact O-N 2.61Å; E498-F503 VanDerWaalsContact CD-CD1 3.48Å; E498-F503 VanDerWaalsContact CD-CE1 3.49Å; E498-F503 HydrophobicContact CG-CD1 3.43Å; E498-F503 VanDerWaalsContact CG-CD1 3.43Å; E498-F503 HydrophobicContact CG-CE1 3.92Å; E498-F503 HydrophobicContact CG-CG 4.43Å; E498-F503 VanDerWaalsContact OE1-CD1 3.29Å; E498-F503 WeakPolarHBondContact OE1-CD1 3.43Å; E498-F503 VanDerWaalsContact OE1-CE1 3.31Å; E498-F503 WeakPolarHBondContact OE1-CE1 3.42Å
499K88.9Confident83.2Confident129 Ų12953.1 Ų53.156%0.56128%0.282SS*.G310 helixtrans-58.6-23179.462.8-179177.9-167.70113.6E61 R490 S497 Y501E61-K499 IonicContact OE2-NZ 3.32Å; R490-K499 WeakPolarHBondContact CD-O 3.45Å; R490-K499 PolarHBondContact NE-O 2.78Å; S497-K499 VanDerWaalsContact C-N 3.32Å; S497-K499 PolarHBondContact O-N 2.61Å; S497-K499 VanDerWaalsContact OG-CG 3.28Å; S497-K499 WeakPolarHBondContact OG-CG 3.08Å; K499-Y501 PolarHBondContact O-N 3.11Å
500D88.2Confident82.9Confident11 Ų1154 Ų546%0.05929%0.293CS..G310 helixtrans-77.2-4.8-179.1-55.3-52.6000112.9Q489 R490 T493 G495 N496 S497 E498Q489-D500 CarbonylContact C-O 3.52Å; Q489-D500 WeakPolarHBondContact CA-O 3.46Å; Q489-D500 WeakPolarHBondContact CG-O 3.15Å; R490-D500 PolarHBondContact N-O 3.18Å; T493-D500 VanDerWaalsContact CB-OD1 3.24Å; T493-D500 WeakPolarHBondContact CB-OD1 3.46Å; T493-D500 HydrophobicContact CG2-CB 4.28Å; T493-D500 WeakPolarHBondContact CG2-OD1 3.23Å; T493-D500 WeakPolarHBondContact OG1-CB 3.27Å; T493-D500 PolarHBondContact OG1-O 2.78Å; G495-D500 WeakPolarHBondContact CA-OD2 3.28Å; N496-D500 PolarHBondContact N-OD2 3.29Å; S497-D500 WeakPolarHBondContact CA-OD2 3.43Å; S497-D500 PolarHBondContact N-OD2 3.18Å; S497-D500 VanDerWaalsContact O-CB 3.3Å; S497-D500 WeakPolarHBondContact O-CB 3.47Å; S497-D500 PolarHBondContact O-N 3.09Å; S497-D500 VanDerWaalsContact O-N 3.07Å; S497-D500 PolarHBondContact OG-OD2 2.97Å; E498-D500 PolarHBondContact O-N 2.9Å
501Y91.6Very high82.7Confident12 Ų1255 Ų555%0.04730%0.301CS..BIsolated β-bridgetrans-121.6157.3-172.7-73.2-85.9000112.2Y484 K485 T487 Q489 R490 S497 E498 K499 F503Y484-Y501 HydrophobicContact CD2-CD1 4.47Å; Y484-Y501 AromaticContact CD2-CD2 3.34Å; Y484-Y501 HydrophobicContact CD2-CD2 3.34Å; Y484-Y501 AromaticContact CD2-CE2 3.66Å; Y484-Y501 HydrophobicContact CD2-CE2 3.66Å; Y484-Y501 AromaticContact CD2-CG 3.81Å; Y484-Y501 HydrophobicContact CD2-CG 3.81Å; Y484-Y501 AromaticContact CE2-CD2 3.79Å; Y484-Y501 HydrophobicContact CE2-CD2 3.79Å; Y484-Y501 AromaticContact CE2-CE2 3.72Å; Y484-Y501 HydrophobicContact CE2-CE2 3.72Å; Y484-Y501 HydrophobicContact CG-CD2 4.25Å; Y484-Y501 HydrophobicContact CG-CG 4.48Å; Y484-Y501 WeakPolarHBondContact O-CD1 3.31Å; K485-Y501 HydrophobicContact CD-CE1 4.36Å; K485-Y501 HydrophobicContact CD-CE2 4.42Å; K485-Y501 PolarHBondContact NZ-OH 3.05Å; T487-Y501 WeakPolarHBondContact OG1-CB 3.01Å; Q489-Y501 HydrophobicContact CB-CD1 4.02Å; Q489-Y501 HydrophobicContact CB-CE1 3.67Å; Q489-Y501 HydrophobicContact CG-CE1 4.12Å; R490-Y501 PolarHBondContact NE-O 3.12Å; R490-Y501 VanDerWaalsContact NE-O 3.11Å; R490-Y501 PolarHBondContact NH2-O 2.87Å; S497-Y501 VanDerWaalsContact O-CD2 3.26Å; S497-Y501 WeakPolarHBondContact O-CD2 3.26Å; E498-Y501 PolarHBondContact O-N 2.61Å; K499-Y501 PolarHBondContact O-N 3.11Å; Y501-F503 PolarHBondContact O-N 3.22Å
502Y89.9Confident82.9Confident1 Ų154.1 Ų54.10%0.00429%0.293CS..SBendtrans-77.963169.4-77.8-81.5000110.6Q460 A461 T488 R490 N625 R626Q460-Y502 WeakPolarHBondContact CA-O 3.41Å; Q460-Y502 WeakPolarHBondContact CB-O 3.32Å; Q460-Y502 HydrophobicContact CG-CD1 4.3Å; Q460-Y502 HydrophobicContact CG-CG 4.18Å; A461-Y502 PolarHBondContact N-O 3.25Å; A461-Y502 VanDerWaalsContact N-O 3.07Å; T488-Y502 HydrophobicContact CG2-CD2 4.2Å; T488-Y502 WeakPolarHBondContact O-CD2 3.5Å; T488-Y502 PolarHBondContact O-N 3.21Å; R490-Y502 HydrophobicContact CG-CD2 4.07Å; R490-Y502 HydrophobicContact CG-CE2 3.81Å; R490-Y502 VanDerWaalsContact NH1-CE1 3.35Å; Y502-N625 PolarHBondContact OH-O 2.95Å; Y502-R626 HydrophobicContact CE2-CG 4.29Å; Y502-R626 WeakPolarHBondContact OH-CG 3.38Å; Y502-R626 PolarHBondContact OH-NE 2.91Å; Y502-R626 VanDerWaalsContact OH-NE 3.14Å
503F92.7Very high83.5Confident9 Ų955.2 Ų55.24%0.03930%0.295CS..EExtended strand (participates in β ladder)trans-129.2142.1-176.6177.9-92.5000109.7A461 A463 V480 L483 Y484 T487 E498 Y501 Q505A461-F503 HydrophobicContact CB-CD2 4.08Å; A461-F503 WeakPolarHBondContact O-CA 3.44Å; A463-F503 HydrophobicContact CB-CE1 4.37Å; A463-F503 HydrophobicContact CB-CE2 3.63Å; A463-F503 HydrophobicContact CB-CZ 3.32Å; V480-F503 HydrophobicContact CG1-CE1 3.82Å; V480-F503 HydrophobicContact CG1-CZ 3.92Å; L483-F503 HydrophobicContact CB-CD2 4.26Å; L483-F503 HydrophobicContact CB-CE2 3.5Å; L483-F503 VanDerWaalsContact CB-CE2 3.5Å; L483-F503 HydrophobicContact CB-CZ 4.18Å; L483-F503 HydrophobicContact CD1-CE2 4.3Å; L483-F503 HydrophobicContact CD1-CZ 4.49Å; Y484-F503 VanDerWaalsContact CB-CG 3.44Å; T487-F503 HydrophobicContact CG2-CB 4.21Å; T487-F503 HydrophobicContact CG2-CD2 4.25Å; E498-F503 VanDerWaalsContact CD-CD1 3.48Å; E498-F503 VanDerWaalsContact CD-CE1 3.49Å; E498-F503 HydrophobicContact CG-CD1 3.43Å; E498-F503 VanDerWaalsContact CG-CD1 3.43Å; E498-F503 HydrophobicContact CG-CE1 3.92Å; E498-F503 HydrophobicContact CG-CG 4.43Å; E498-F503 VanDerWaalsContact OE1-CD1 3.29Å; E498-F503 WeakPolarHBondContact OE1-CD1 3.43Å; E498-F503 VanDerWaalsContact OE1-CE1 3.31Å; E498-F503 WeakPolarHBondContact OE1-CE1 3.42Å; Y501-F503 PolarHBondContact O-N 3.22Å; F503-Q505 HydrophobicContact CE1-CB 4.14Å
504Y90.5Very high84.2Confident32 Ų3258.5 Ų58.513%0.12531%0.307CS..EExtended strand (participates in β ladder)trans-132.6132.8175.8-54-79.9000109.5A461 I462 A463 S515 E518 W519A461-Y504 PolarHBondContact O-N 2.9Å; I462-Y504 CarbonylContact C-O 3.59Å; I462-Y504 VanDerWaalsContact CA-O 3.28Å; I462-Y504 WeakPolarHBondContact CA-O 3.44Å; I462-Y504 HydrophobicContact CG1-CD2 4.38Å; A463-Y504 PolarHBondContact N-O 2.82Å; Y504-S515 VanDerWaalsContact CB-OG 3.29Å; Y504-S515 WeakPolarHBondContact CB-OG 3.26Å; Y504-E518 WeakPolarHBondContact CD1-OE2 3.15Å; Y504-E518 WeakPolarHBondContact CE1-OE2 3.42Å; Y504-W519 AromaticContact CD2-NE1 3.81Å; Y504-W519 AromaticContact CE2-CD1 3.89Å; Y504-W519 AromaticContact CE2-NE1 3.87Å
505Q86.8Confident84.7Confident63 Ų6351.7 Ų51.729%0.29427%0.265SS..EExtended strand (participates in β ladder)trans-98.6121.8170.3-156.8-177.246.800109.2A463 V480 F503 Q507A463-Q505 HydrophobicContact CB-CG 4.48Å; V480-Q505 VanDerWaalsContact CG2-NE2 3.29Å; F503-Q505 HydrophobicContact CE1-CB 4.14Å; Q505-Q507 VanDerWaalsContact NE2-NE2 3.16Å
506A82.9Confident84.9Confident0 Ų050.8 Ų50.80%025%0.253CS..EExtended strand (participates in β ladder)trans-100.6113173.200000109.5I253 I462 A463 G465 D511 F512I253-A506 WeakPolarHBondContact CD1-O 3.35Å; I462-A506 HydrophobicContact CG2-CB 4.12Å; A463-A506 PolarHBondContact O-N 2.78Å; G465-A506 PolarHBondContact N-O 2.93Å; A506-D511 HydrophobicContact CB-CB 4.24Å; A506-F512 HydrophobicContact CB-CB 3.93Å; A506-F512 HydrophobicContact CB-CD2 3.54Å; A506-F512 HydrophobicContact CB-CG 4.23Å
507Q79.9Confident84.7Confident98 Ų9851.6 Ų51.646%0.45825%0.249SC..SBendtrans-99.3-29.9175.5-62-62.5-1400111.4Q505 D511Q505-Q507 VanDerWaalsContact NE2-NE2 3.16Å; Q507-D511 PolarHBondContact N-OD2 2.95Å; Q507-D511 VanDerWaalsContact N-OD2 3.16Å
508N81Confident84.3Confident65 Ų6551.1 Ų51.135%0.34824%0.242SC..SBendtrans-130.2176.1176.66661.2000111.5T510 D511 F512N508-T510 VanDerWaalsContact C-N 3.34Å; N508-T510 PolarHBondContact O-N 2.89Å; N508-T510 WeakPolarHBondContact OD1-CA 3.48Å; N508-T510 WeakPolarHBondContact OD1-CB 3.4Å; N508-T510 PolarHBondContact OD1-N 3.13Å; N508-D511 VanDerWaalsContact CG-CG 3.49Å; N508-D511 VanDerWaalsContact CG-OD2 3.28Å; N508-D511 PolarHBondContact N-OD2 2.91Å; N508-D511 PolarHBondContact ND2-OD1 3.36Å; N508-D511 PolarHBondContact ND2-OD2 2.86Å; N508-D511 PolarHBondContact OD1-N 2.68Å; N508-D511 PolarHBondContact OD1-OD1 2.85Å; N508-F512 PolarHBondContact O-N 2.93Å
509L80Confident83.9Confident57 Ų5748 Ų4830%0.29823%0.228SC..Hα-helixtrans-66.5-34.1-178.3-66.2173.6000112.8I253 V261 F512 E513I253-L509 HydrophobicContact CG2-CD2 4.3Å; V261-L509 HydrophobicContact CB-CD2 4.5Å; V261-L509 HydrophobicContact CG1-CD2 3.91Å; V261-L509 HydrophobicContact CG2-CD2 3.73Å; L509-F512 WeakPolarHBondContact O-CB 3.43Å; L509-F512 PolarHBondContact O-N 2.99Å; L509-E513 WeakPolarHBondContact O-CG 3.33Å; L509-E513 PolarHBondContact O-N 2.78Å
510T82.8Confident83.7Confident100 Ų10042.5 Ų42.561%0.61320%0.204SC*.Hα-helixtrans-68.4-42.5179-56.40000111.7N508 F512 E513 K514N508-T510 VanDerWaalsContact C-N 3.34Å; N508-T510 PolarHBondContact O-N 2.89Å; N508-T510 WeakPolarHBondContact OD1-CA 3.48Å; N508-T510 WeakPolarHBondContact OD1-CB 3.4Å; N508-T510 PolarHBondContact OD1-N 3.13Å; T510-F512 PolarHBondContact O-N 2.92Å; T510-E513 PolarHBondContact O-N 2.79Å; T510-K514 WeakPolarHBondContact O-CB 3.36Å; T510-K514 PolarHBondContact O-N 2.67Å
511D78Confident83.4Confident52 Ų5242.5 Ų42.528%0.27820%0.204SC..Hα-helixtrans-58.7-40.5173.5-57.3-21.6000110.6A506 Q507 N508 K514 S515A506-D511 HydrophobicContact CB-CB 4.24Å; Q507-D511 PolarHBondContact N-OD2 2.95Å; Q507-D511 VanDerWaalsContact N-OD2 3.16Å; N508-D511 VanDerWaalsContact CG-CG 3.49Å; N508-D511 VanDerWaalsContact CG-OD2 3.28Å; N508-D511 PolarHBondContact N-OD2 2.91Å; N508-D511 PolarHBondContact ND2-OD1 3.36Å; N508-D511 PolarHBondContact ND2-OD2 2.86Å; N508-D511 PolarHBondContact OD1-N 2.68Å; N508-D511 PolarHBondContact OD1-OD1 2.85Å; D511-K514 PolarHBondContact O-N 2.98Å; D511-S515 WeakPolarHBondContact O-CB 3.15Å; D511-S515 PolarHBondContact O-N 3.1Å; D511-S515 PolarHBondContact O-OG 2.75Å
512F77.1Confident82.8Confident1 Ų142 Ų420%0.00420%0.202CC..Hα-helixtrans-65.6-48.2179.8-161.4-114.6000111.9V261 S265 L351 I462 M464 A506 N508 L509 T510 K514 S515 F516V261-F512 HydrophobicContact CB-CE1 4.45Å; V261-F512 HydrophobicContact CG1-CD1 3.32Å; V261-F512 HydrophobicContact CG1-CD2 4.45Å; V261-F512 HydrophobicContact CG1-CE1 3.36Å; V261-F512 HydrophobicContact CG1-CE2 4.49Å; V261-F512 HydrophobicContact CG1-CG 3.91Å; V261-F512 HydrophobicContact CG1-CZ 3.99Å; V261-F512 WeakPolarHBondContact O-CE1 3.32Å; S265-F512 WeakPolarHBondContact OG-CD1 3.36Å; S265-F512 WeakPolarHBondContact OG-CE1 3.2Å; L351-F512 HydrophobicContact CD1-CE2 3.78Å; L351-F512 HydrophobicContact CD1-CZ 4Å; L351-F512 HydrophobicContact CD2-CZ 4.49Å; I462-F512 HydrophobicContact CG2-CD2 3.9Å; I462-F512 HydrophobicContact CG2-CE2 3.74Å; M464-F512 HydrophobicContact CE-CD2 4.21Å; M464-F512 HydrophobicContact CE-CE1 4.37Å; M464-F512 HydrophobicContact CE-CE2 3.52Å; M464-F512 HydrophobicContact CE-CZ 3.63Å; M464-F512 HydrophobicContact CG-CE2 3.91Å; M464-F512 HydrophobicContact SD-CE2 3.75Å; M464-F512 HydrophobicContact SD-CZ 3.99Å; A506-F512 HydrophobicContact CB-CB 3.93Å; A506-F512 HydrophobicContact CB-CD2 3.54Å; A506-F512 HydrophobicContact CB-CG 4.23Å; N508-F512 PolarHBondContact O-N 2.93Å; L509-F512 WeakPolarHBondContact O-CB 3.43Å; L509-F512 PolarHBondContact O-N 2.99Å; T510-F512 PolarHBondContact O-N 2.92Å; F512-K514 VanDerWaalsContact C-N 3.33Å; F512-K514 PolarHBondContact O-N 3.03Å; F512-S515 PolarHBondContact O-N 3.29Å; F512-F516 HydrophobicContact CD1-CD2 4.29Å; F512-F516 HydrophobicContact CD1-CE2 4.23Å; F512-F516 HydrophobicContact CD2-CD2 4.41Å; F512-F516 HydrophobicContact CD2-CE2 4.14Å; F512-F516 HydrophobicContact CE1-CD2 4.07Å; F512-F516 AromaticContact CE1-CE2 3.6Å; F512-F516 HydrophobicContact CE1-CE2 3.6Å; F512-F516 HydrophobicContact CE1-CZ 4.17Å; F512-F516 HydrophobicContact CE2-CD2 4.21Å; F512-F516 AromaticContact CE2-CE2 3.51Å; F512-F516 HydrophobicContact CE2-CE2 3.51Å; F512-F516 HydrophobicContact CE2-CZ 4.42Å; F512-F516 HydrophobicContact CG-CD2 4.45Å; F512-F516 HydrophobicContact CG-CE2 4.46Å; F512-F516 HydrophobicContact CZ-CD2 4.03Å; F512-F516 AromaticContact CZ-CE2 3.19Å; F512-F516 HydrophobicContact CZ-CE2 3.19Å; F512-F516 AromaticContact CZ-CZ 3.77Å; F512-F516 HydrophobicContact CZ-CZ 3.77Å; F512-F516 WeakPolarHBondContact O-CD2 3.29Å; F512-F516 PolarHBondContact O-N 2.71Å; F512-F516 VanDerWaalsContact O-N 3.07Å
513E78.3Confident82.3Confident122 Ų12242.1 Ų42.157%0.5720%0.203SC*.Hα-helixtrans-60.3-41.6175-73.3174.9-174.700112.2L509 T510 R517L509-E513 WeakPolarHBondContact O-CG 3.33Å; L509-E513 PolarHBondContact O-N 2.78Å; T510-E513 PolarHBondContact O-N 2.79Å; E513-R517 WeakPolarHBondContact O-CB 3.43Å; E513-R517 PolarHBondContact O-N 3.11Å
514K82Confident81.8Confident103 Ų10342 Ų4245%0.44820%0.202SC..Hα-helixtrans-61.1-46.9175.6178.7-177.8173-163.50111.2T510 D511 F512 F516 R517 E518T510-K514 WeakPolarHBondContact O-CB 3.36Å; T510-K514 PolarHBondContact O-N 2.67Å; D511-K514 PolarHBondContact O-N 2.98Å; F512-K514 VanDerWaalsContact C-N 3.33Å; F512-K514 PolarHBondContact O-N 3.03Å; K514-F516 PolarHBondContact O-N 2.98Å; K514-R517 WeakPolarHBondContact O-CB 3.36Å; K514-R517 PolarHBondContact O-N 2.74Å; K514-E518 WeakPolarHBondContact CE-OE1 3.35Å; K514-E518 IonicContact NZ-OE1 2.88Å; K514-E518 WeakPolarHBondContact O-CG 3.42Å; K514-E518 PolarHBondContact O-N 3.29Å
515S82.7Confident81.6Confident6 Ų640.9 Ų40.94%0.04220%0.198CC..Hα-helixtrans-62.5-41.6-178.3-56.50000112.2I462 Y504 D511 F512 E518 W519I462-S515 VanDerWaalsContact CD1-CB 3.45Å; Y504-S515 VanDerWaalsContact CB-OG 3.29Å; Y504-S515 WeakPolarHBondContact CB-OG 3.26Å; D511-S515 WeakPolarHBondContact O-CB 3.15Å; D511-S515 PolarHBondContact O-N 3.1Å; D511-S515 PolarHBondContact O-OG 2.75Å; F512-S515 PolarHBondContact O-N 3.29Å; S515-E518 PolarHBondContact O-N 3.28Å; S515-W519 PolarHBondContact O-N 3.47Å
516F82.4Confident81.5Confident10 Ų1038.2 Ų38.24%0.04419%0.186CC..Hα-helixtrans-68.2-36.9175.3-88.8-106.4000112.8S265 L266 L269 L351 I462 F512 K514 E518 W519 F520S265-F516 WeakPolarHBondContact O-CD1 3.23Å; L266-F516 HydrophobicContact CB-CE1 4.44Å; L269-F516 HydrophobicContact CB-CD1 3.79Å; L269-F516 HydrophobicContact CB-CE1 4.43Å; L269-F516 HydrophobicContact CD2-CD1 3.61Å; L269-F516 HydrophobicContact CD2-CE1 4Å; L269-F516 HydrophobicContact CG-CD1 4.26Å; L351-F516 HydrophobicContact CD1-CE2 4.25Å; L351-F516 HydrophobicContact CD1-CZ 4.33Å; L351-F516 HydrophobicContact CD2-CZ 4.09Å; I462-F516 HydrophobicContact CD1-CD2 3.38Å; I462-F516 HydrophobicContact CD1-CE2 3.37Å; I462-F516 HydrophobicContact CD1-CG 4.31Å; I462-F516 HydrophobicContact CD1-CZ 4.33Å; F512-F516 HydrophobicContact CD1-CD2 4.29Å; F512-F516 HydrophobicContact CD1-CE2 4.23Å; F512-F516 HydrophobicContact CD2-CD2 4.41Å; F512-F516 HydrophobicContact CD2-CE2 4.14Å; F512-F516 HydrophobicContact CE1-CD2 4.07Å; F512-F516 AromaticContact CE1-CE2 3.6Å; F512-F516 HydrophobicContact CE1-CE2 3.6Å; F512-F516 HydrophobicContact CE1-CZ 4.17Å; F512-F516 HydrophobicContact CE2-CD2 4.21Å; F512-F516 AromaticContact CE2-CE2 3.51Å; F512-F516 HydrophobicContact CE2-CE2 3.51Å; F512-F516 HydrophobicContact CE2-CZ 4.42Å; F512-F516 HydrophobicContact CG-CD2 4.45Å; F512-F516 HydrophobicContact CG-CE2 4.46Å; F512-F516 HydrophobicContact CZ-CD2 4.03Å; F512-F516 AromaticContact CZ-CE2 3.19Å; F512-F516 HydrophobicContact CZ-CE2 3.19Å; F512-F516 AromaticContact CZ-CZ 3.77Å; F512-F516 HydrophobicContact CZ-CZ 3.77Å; F512-F516 WeakPolarHBondContact O-CD2 3.29Å; F512-F516 PolarHBondContact O-N 2.71Å; F512-F516 VanDerWaalsContact O-N 3.07Å; K514-F516 PolarHBondContact O-N 2.98Å; F516-E518 VanDerWaalsContact C-N 3.34Å; F516-W519 HydrophobicContact CD1-CE3 4.29Å; F516-W519 HydrophobicContact CE1-CE3 4.23Å; F516-W519 HydrophobicContact CE1-CZ3 4.12Å; F516-W519 HydrophobicContact CE2-CZ3 4.2Å; F516-W519 HydrophobicContact CG-CE3 4.48Å; F516-W519 HydrophobicContact CZ-CE3 4.36Å; F516-W519 AromaticContact CZ-CZ3 3.91Å; F516-W519 HydrophobicContact CZ-CZ3 3.91Å; F516-W519 WeakPolarHBondContact O-CB 3.31Å; F516-W519 PolarHBondContact O-N 2.94Å; F516-F520 PolarHBondContact O-N 3.43Å
517R81.3Confident81.9Confident103 Ų10338.2 Ų38.239%0.38919%0.186SC..Hα-helixtrans-62.9-42.7172.1-179.8176.764.9-105.43.4111.1E513 K514 F520 E521E513-R517 WeakPolarHBondContact O-CB 3.43Å; E513-R517 PolarHBondContact O-N 3.11Å; K514-R517 WeakPolarHBondContact O-CB 3.36Å; K514-R517 PolarHBondContact O-N 2.74Å; R517-F520 WeakPolarHBondContact O-CB 3.26Å; R517-F520 PolarHBondContact O-N 2.9Å; R517-E521 HydrophobicContact CG-CG 4.41Å; R517-E521 WeakPolarHBondContact CG-OE1 3.13Å; R517-E521 IonicContact NE-OE1 2.75Å; R517-E521 WeakPolarHBondContact O-CB 3.37Å; R517-E521 WeakPolarHBondContact O-CG 3.42Å; R517-E521 PolarHBondContact O-N 2.83Å
518E81.4Confident82.4Confident35 Ų3534.3 Ų34.316%0.16417%0.168CC..Hα-helixtrans-65.3-38.1176.6-72.5174.8171.800111.7Y504 K514 S515 F516 S522Y504-E518 WeakPolarHBondContact CD1-OE2 3.15Å; Y504-E518 WeakPolarHBondContact CE1-OE2 3.42Å; K514-E518 WeakPolarHBondContact CE-OE1 3.35Å; K514-E518 IonicContact NZ-OE1 2.88Å; K514-E518 WeakPolarHBondContact O-CG 3.42Å; K514-E518 PolarHBondContact O-N 3.29Å; S515-E518 PolarHBondContact O-N 3.28Å; F516-E518 VanDerWaalsContact C-N 3.34Å; E518-S522 WeakPolarHBondContact O-CB 3.42Å; E518-S522 PolarHBondContact O-N 3.21Å; E518-S522 PolarHBondContact O-OG 3.11Å
519W83.7Confident82.8Confident0 Ų035.2 Ų35.20%017%0.17CC..Hα-helixtrans-58.4-49.9170.1-78.11.2000112.6F236 L269 F349 L351 I462 Y504 S515 F516 S522 T523F236-W519 HydrophobicContact CE1-CE3 4.4Å; F236-W519 HydrophobicContact CE1-CZ3 4.38Å; L269-W519 HydrophobicContact CD2-CE3 4.33Å; F349-W519 HydrophobicContact CB-CD2 4.35Å; F349-W519 HydrophobicContact CB-CE3 4.05Å; F349-W519 HydrophobicContact CB-CH2 3.82Å; F349-W519 HydrophobicContact CB-CZ2 4.09Å; F349-W519 HydrophobicContact CB-CZ3 3.81Å; F349-W519 HydrophobicContact CD1-CB 4.46Å; F349-W519 AromaticContact CD1-CD2 3.69Å; F349-W519 HydrophobicContact CD1-CD2 3.69Å; F349-W519 AromaticContact CD1-CE2 3.72Å; F349-W519 HydrophobicContact CD1-CE3 4.19Å; F349-W519 AromaticContact CD1-CG 3.86Å; F349-W519 HydrophobicContact CD1-CG 3.86Å; F349-W519 HydrophobicContact CD1-CZ2 4.17Å; F349-W519 AromaticContact CD1-NE1 3.98Å; F349-W519 HydrophobicContact CD2-CE3 4.4Å; F349-W519 HydrophobicContact CE1-CB 4.01Å; F349-W519 AromaticContact CE1-CD1 3.91Å; F349-W519 HydrophobicContact CE1-CD2 4.11Å; F349-W519 AromaticContact CE1-CG 3.76Å; F349-W519 HydrophobicContact CE1-CG 3.76Å; F349-W519 HydrophobicContact CE2-CB 4.43Å; F349-W519 AromaticContact CG-CD2 3.98Å; F349-W519 HydrophobicContact CG-CD2 3.98Å; F349-W519 AromaticContact CG-CE3 3.98Å; F349-W519 HydrophobicContact CG-CE3 3.98Å; F349-W519 HydrophobicContact CG-CG 4.44Å; F349-W519 HydrophobicContact CG-CH2 4.47Å; F349-W519 HydrophobicContact CG-CZ2 4.44Å; F349-W519 HydrophobicContact CG-CZ3 4.26Å; F349-W519 HydrophobicContact CZ-CB 4Å; F349-W519 HydrophobicContact CZ-CG 4.25Å; L351-W519 HydrophobicContact CB-CH2 4.37Å; I462-W519 HydrophobicContact CB-CH2 4.03Å; I462-W519 HydrophobicContact CB-CZ2 3.89Å; I462-W519 HydrophobicContact CD1-CD2 3.69Å; I462-W519 VanDerWaalsContact CD1-CE2 3.48Å; I462-W519 HydrophobicContact CD1-CE3 3.77Å; I462-W519 HydrophobicContact CD1-CH2 3.53Å; I462-W519 HydrophobicContact CD1-CZ2 3.46Å; I462-W519 VanDerWaalsContact CD1-CZ2 3.46Å; I462-W519 HydrophobicContact CD1-CZ3 3.67Å; I462-W519 HydrophobicContact CG1-CD2 4.32Å; I462-W519 HydrophobicContact CG1-CH2 3.77Å; I462-W519 HydrophobicContact CG1-CZ2 3.33Å; I462-W519 HydrophobicContact CG1-CZ3 4.42Å; Y504-W519 AromaticContact CD2-NE1 3.81Å; Y504-W519 AromaticContact CE2-CD1 3.89Å; Y504-W519 AromaticContact CE2-NE1 3.87Å; S515-W519 PolarHBondContact O-N 3.47Å; F516-W519 HydrophobicContact CD1-CE3 4.29Å; F516-W519 HydrophobicContact CE1-CE3 4.23Å; F516-W519 HydrophobicContact CE1-CZ3 4.12Å; F516-W519 HydrophobicContact CE2-CZ3 4.2Å; F516-W519 HydrophobicContact CG-CE3 4.48Å; F516-W519 HydrophobicContact CZ-CE3 4.36Å; F516-W519 AromaticContact CZ-CZ3 3.91Å; F516-W519 HydrophobicContact CZ-CZ3 3.91Å; F516-W519 WeakPolarHBondContact O-CB 3.31Å; F516-W519 PolarHBondContact O-N 2.94Å; W519-S522 PolarHBondContact O-N 2.81Å; W519-S522 PolarHBondContact O-OG 2.56Å; W519-T523 PolarHBondContact O-N 2.74Å; W519-T523 PolarHBondContact O-OG1 3.38Å
520F84Confident83.5Confident13 Ų1332.5 Ų32.56%0.05716%0.156CC..Hα-helixtrans-54.9-56.3176.6172.6-102000111.3L269 Q272 F273 N276 F516 R517 S522 T523 L524L269-F520 HydrophobicContact CD1-CB 3.52Å; L269-F520 HydrophobicContact CD1-CD2 4.13Å; L269-F520 HydrophobicContact CD1-CG 4.27Å; Q272-F520 HydrophobicContact CB-CD2 3.91Å; Q272-F520 HydrophobicContact CB-CE2 3.86Å; Q272-F520 HydrophobicContact CB-CG 4.43Å; Q272-F520 HydrophobicContact CB-CZ 4.35Å; F273-F520 AromaticContact CD1-CD2 3.59Å; F273-F520 HydrophobicContact CD1-CD2 3.59Å; F273-F520 AromaticContact CD1-CE2 3.64Å; F273-F520 HydrophobicContact CD1-CE2 3.64Å; F273-F520 HydrophobicContact CD2-CD2 4.47Å; F273-F520 AromaticContact CE1-CD2 3.5Å; F273-F520 HydrophobicContact CE1-CD2 3.5Å; F273-F520 AromaticContact CE1-CE2 3.94Å; F273-F520 HydrophobicContact CE1-CE2 3.94Å; F273-F520 HydrophobicContact CE1-CG 4.47Å; F273-F520 HydrophobicContact CE2-CD2 4.42Å; F273-F520 HydrophobicContact CG-CD2 4.09Å; F273-F520 HydrophobicContact CG-CE2 4.23Å; F273-F520 AromaticContact CZ-CD2 3.95Å; F273-F520 HydrophobicContact CZ-CD2 3.95Å; N276-F520 HydrophobicContact CB-CE2 4.23Å; N276-F520 HydrophobicContact CB-CZ 3.71Å; F516-F520 PolarHBondContact O-N 3.43Å; R517-F520 WeakPolarHBondContact O-CB 3.26Å; R517-F520 PolarHBondContact O-N 2.9Å; F520-S522 PolarHBondContact O-N 3.03Å; F520-T523 WeakPolarHBondContact O-CB 3.44Å; F520-T523 PolarHBondContact O-N 2.95Å; F520-T523 VanDerWaalsContact O-N 3.14Å; F520-L524 HydrophobicContact CD2-CD1 4.28Å; F520-L524 HydrophobicContact CE1-CD1 3.86Å; F520-L524 HydrophobicContact CE2-CD1 3.53Å; F520-L524 HydrophobicContact CE2-CG 4.45Å; F520-L524 HydrophobicContact CZ-CD1 3.28Å; F520-L524 HydrophobicContact CZ-CG 4.46Å; F520-L524 PolarHBondContact O-N 3.35Å
521E81.8Confident84.2Confident11 Ų1129.2 Ų29.25%0.05114%0.136CC..Hα-helixtrans-57.8-48-178.7-79.5176.8-163.900111.4R517 T523 L524 M525 K566R517-E521 HydrophobicContact CG-CG 4.41Å; R517-E521 WeakPolarHBondContact CG-OE1 3.13Å; R517-E521 IonicContact NE-OE1 2.75Å; R517-E521 WeakPolarHBondContact O-CB 3.37Å; R517-E521 WeakPolarHBondContact O-CG 3.42Å; R517-E521 PolarHBondContact O-N 2.83Å; E521-T523 PolarHBondContact O-N 3.33Å; E521-T523 VanDerWaalsContact O-N 3.1Å; E521-L524 PolarHBondContact O-N 3.13Å; E521-M525 HydrophobicContact CB-CE 3.68Å; E521-M525 HydrophobicContact CB-SD 4.27Å; E521-M525 HydrophobicContact CG-CE 3.92Å; E521-M525 VanDerWaalsContact O-CG 3.29Å; E521-M525 WeakPolarHBondContact O-CG 3.15Å; E521-M525 PolarHBondContact O-N 2.96Å; E521-K566 IonicContact OE1-NZ 2.96Å; E521-K566 WeakPolarHBondContact OE2-CE 3.31Å; E521-K566 IonicContact OE2-NZ 3.52Å; E521-K566 PolarHBondContact OE2-NZ 3.33Å
522S78.9Confident85.2Confident2 Ų226.8 Ų26.81%0.01412%0.123CC..Hα-helixtrans-64.6-19.4-177.888.60000113.3Q460 E518 W519 F520 R626Q460-S522 PolarHBondContact NE2-OG 3.48Å; E518-S522 WeakPolarHBondContact O-CB 3.42Å; E518-S522 PolarHBondContact O-N 3.21Å; E518-S522 PolarHBondContact O-OG 3.11Å; W519-S522 PolarHBondContact O-N 2.81Å; W519-S522 PolarHBondContact O-OG 2.56Å; F520-S522 PolarHBondContact O-N 3.03Å; S522-R626 VanDerWaalsContact CB-NH2 3.28Å; S522-R626 PolarHBondContact O-NH1 2.88Å; S522-R626 PolarHBondContact O-NH2 3.26Å; S522-R626 PolarHBondContact OG-NH2 3.24Å
523T79.9Confident86.1Confident3 Ų329.9 Ų29.92%0.01814%0.137CC..Hα-helixtrans-78.6-32.7175.3-54.30000111.4L227 V232 V234 F273 L283 F349 W519 F520 E521L227-T523 WeakPolarHBondContact CD2-O 3.21Å; V232-T523 HydrophobicContact CG1-CG2 3.87Å; V234-T523 HydrophobicContact CG2-CG2 3.85Å; F273-T523 HydrophobicContact CE1-CG2 4.03Å; F273-T523 HydrophobicContact CZ-CG2 4.2Å; L283-T523 HydrophobicContact CD1-CG2 4.08Å; F349-T523 WeakPolarHBondContact CZ-OG1 3.36Å; W519-T523 PolarHBondContact O-N 2.74Å; W519-T523 PolarHBondContact O-OG1 3.38Å; F520-T523 WeakPolarHBondContact O-CB 3.44Å; F520-T523 PolarHBondContact O-N 2.95Å; F520-T523 VanDerWaalsContact O-N 3.14Å; E521-T523 PolarHBondContact O-N 3.33Å; E521-T523 VanDerWaalsContact O-N 3.1Å
524L82.3Confident87.1Confident5 Ų524.1 Ų24.13%0.02611%0.11CC..Hα-helixtrans-102.4-24.7-170.4-58-172.8000114.3L227 F273 N276 V277 F520 E521 T526 Y586L227-L524 HydrophobicContact CD1-CD2 3.5Å; L227-L524 HydrophobicContact CD2-CD2 4.22Å; L227-L524 HydrophobicContact CG-CD2 3.66Å; F273-L524 HydrophobicContact CE1-CD2 4.31Å; F273-L524 HydrophobicContact CE1-CG 4.45Å; N276-L524 HydrophobicContact CB-CD1 4.38Å; V277-L524 HydrophobicContact CG2-CD1 4.07Å; V277-L524 HydrophobicContact CG2-CD2 3.56Å; V277-L524 HydrophobicContact CG2-CG 4.49Å; F520-L524 HydrophobicContact CD2-CD1 4.28Å; F520-L524 HydrophobicContact CE1-CD1 3.86Å; F520-L524 HydrophobicContact CE2-CD1 3.53Å; F520-L524 HydrophobicContact CE2-CG 4.45Å; F520-L524 HydrophobicContact CZ-CD1 3.28Å; F520-L524 HydrophobicContact CZ-CG 4.46Å; F520-L524 PolarHBondContact O-N 3.35Å; E521-L524 PolarHBondContact O-N 3.13Å; L524-T526 PolarHBondContact O-N 3.21Å; L524-Y586 HydrophobicContact CB-CD2 4.47Å; L524-Y586 HydrophobicContact CB-CG 4.5Å
525M85.5Confident87.9Confident10 Ų1020.9 Ų20.95%0.04910%0.1CC..  trans-61.8131.5-177.8-77.5176.7-179.500112.3E521 E528 N584 Y586 M623E521-M525 HydrophobicContact CB-CE 3.68Å; E521-M525 HydrophobicContact CB-SD 4.27Å; E521-M525 HydrophobicContact CG-CE 3.92Å; E521-M525 VanDerWaalsContact O-CG 3.29Å; E521-M525 WeakPolarHBondContact O-CG 3.15Å; E521-M525 PolarHBondContact O-N 2.96Å; M525-E528 HydrophobicContact CB-CB 4.09Å; M525-E528 HydrophobicContact SD-CB 4.08Å; M525-E528 HydrophobicContact SD-CG 3.96Å; M525-N584 HydrophobicContact CE-CB 3.75Å; M525-N584 HydrophobicContact SD-CB 4.12Å; M525-Y586 HydrophobicContact CE-CD1 4.41Å; M525-Y586 HydrophobicContact CG-CD1 4.25Å; M525-M623 WeakPolarHBondContact O-CE 3.31Å
526T86.6Confident88.6Confident7 Ų721 Ų214%0.04310%0.1CC..SBendtrans-95-23.2167.246.30000111.5D200 I201 G224 D225 L524 L585 M623D200-T526 HydrophobicContact CB-CG2 4.15Å; I201-T526 WeakPolarHBondContact CD1-O 3.36Å; G224-T526 WeakPolarHBondContact CA-OG1 3.36Å; D225-T526 PolarHBondContact N-OG1 3.28Å; D225-T526 WeakPolarHBondContact O-CG2 3.34Å; D225-T526 PolarHBondContact O-OG1 3.4Å; L524-T526 PolarHBondContact O-N 3.21Å; T526-L585 PolarHBondContact N-O 2.81Å; T526-L585 PolarHBondContact OG1-O 2.88Å; T526-M623 VanDerWaalsContact C-CE 3.42Å; T526-M623 WeakPolarHBondContact O-CE 3.42Å
527V91.1Very high89.3Confident0 Ų020.7 Ų20.70%010%0.1CC..EExtended strand (participates in β ladder)trans-127.8123.5167.7-171.70000107.2I201 V222 I583 N584 L585 L620 S622I201-V527 HydrophobicContact CD1-CG2 4.12Å; I201-V527 HydrophobicContact CG1-CG2 4.1Å; V222-V527 HydrophobicContact CG1-CG2 4.22Å; V527-I583 HydrophobicContact CB-CG2 4.39Å; V527-I583 HydrophobicContact CG1-CB 3.99Å; V527-I583 HydrophobicContact CG1-CG2 3.63Å; V527-N584 CarbonylContact O-C 3.6Å; V527-N584 VanDerWaalsContact O-CA 3.32Å; V527-N584 WeakPolarHBondContact O-CA 3.29Å; V527-L585 HydrophobicContact CB-CB 4.13Å; V527-L585 HydrophobicContact CB-CD1 4.36Å; V527-L585 HydrophobicContact CB-CG 4.38Å; V527-L585 HydrophobicContact CG2-CB 4.42Å; V527-L585 HydrophobicContact CG2-CD1 4.27Å; V527-L585 PolarHBondContact N-O 3.46Å; V527-L585 PolarHBondContact O-N 3.36Å; V527-L620 HydrophobicContact CG1-CD1 4.38Å; V527-L620 HydrophobicContact CG2-CD2 4.3Å; V527-S622 CarbonylContact C-O 3.58Å; V527-S622 WeakPolarHBondContact CA-O 3.45Å; V527-S622 VanDerWaalsContact CG1-O 3.27Å; V527-S622 WeakPolarHBondContact CG1-O 3.24Å
528E88.6Confident90.1Very high16 Ų1622.7 Ų22.78%0.07512%0.118CC..EExtended strand (participates in β ladder)trans-133.8119.3-176.9-179.5-173176.600108.9M525 G530 S622 M623 P624 R626M525-E528 HydrophobicContact CB-CB 4.09Å; M525-E528 HydrophobicContact SD-CB 4.08Å; M525-E528 HydrophobicContact SD-CG 3.96Å; E528-G530 PolarHBondContact O-N 3.2Å; E528-G530 VanDerWaalsContact O-N 3.13Å; E528-S622 PolarHBondContact N-O 2.92Å; E528-M623 HydrophobicContact CB-CG 4.16Å; E528-P624 WeakPolarHBondContact O-CD 3.47Å; E528-R626 WeakPolarHBondContact OE2-CD 3.3Å; E528-R626 IonicContact OE2-CZ 2.74Å; E528-R626 IonicContact OE2-NE 3.74Å; E528-R626 PolarHBondContact OE2-NE 3.49Å; E528-R626 IonicContact OE2-NH1 2.74Å; E528-R626 PolarHBondContact OE2-NH1 2.92Å; E528-R626 IonicContact OE2-NH2 3.32Å
529Q90.5Very high90.9Very high84 Ų8422.1 Ų22.139%0.39312%0.116SC..EExtended strand (participates in β ladder)trans47.335.2-169.5-58-17111.800112.9I583 N584 P624 N625Q529-I583 PolarHBondContact N-O 3.38Å; Q529-I583 VanDerWaalsContact N-O 3.12Å; Q529-N584 PolarHBondContact N-OD1 3.36Å; Q529-P624 WeakPolarHBondContact O-CD 3.14Å; Q529-P624 VanDerWaalsContact O-CG 3.26Å; Q529-P624 WeakPolarHBondContact O-CG 3.09Å; Q529-N625 VanDerWaalsContact CD-ND2 3.34Å; Q529-N625 PolarHBondContact OE1-ND2 2.97Å
530G94.7Very high91.6Very high0 Ų022.1 Ų22.10%012%0.116CC..EExtended strand (participates in β ladder)trans-61.4150.4-17600000111.9E528 N582 I583 H621E528-G530 PolarHBondContact O-N 3.2Å; E528-G530 VanDerWaalsContact O-N 3.13Å; G530-N582 PolarHBondContact O-N 2.98Å; G530-I583 PolarHBondContact N-O 2.78Å; G530-I583 WeakPolarHBondContact O-CB 3.2Å; G530-I583 WeakPolarHBondContact O-CG1 3.38Å; G530-I583 PolarHBondContact O-N 3.03Å; G530-I583 VanDerWaalsContact O-N 3.1Å; G530-H621 CarbonylContact C-O 3.59Å; G530-H621 WeakPolarHBondContact CA-O 3.47Å
531V97.2Very high92.2Very high30 Ų3024.9 Ų24.918%0.18213%0.129CC..EExtended strand (participates in β ladder)trans-128.7127.3-179.1-179.90000109.8E533 K579 V580 T581 H621 P624V531-E533 HydrophobicContact CG1-CG 4.47Å; V531-K579 HydrophobicContact CG1-CG 4.41Å; V531-V580 CarbonylContact C-O 3.59Å; V531-V580 VanDerWaalsContact CA-O 3.25Å; V531-V580 WeakPolarHBondContact CA-O 3.47Å; V531-T581 HydrophobicContact CG1-CG2 4.39Å; V531-T581 HydrophobicContact CG2-CG2 4.39Å; V531-H621 HydrophobicContact CB-CB 4.39Å; V531-H621 PolarHBondContact N-O 3.09Å; V531-H621 PolarHBondContact O-N 3.11Å; V531-P624 HydrophobicContact CG2-CG 4.41Å
532I98.3Very high92.9Very high2 Ų226.7 Ų26.71%0.0114%0.139CC..EExtended strand (participates in β ladder)trans-97.1131.6166.7-64.2154.9000108.7L220 V222 D534 K579 V580 I583 I593 T618 V619 L620 F633L220-I532 HydrophobicContact CD1-CG2 4.29Å; L220-I532 HydrophobicContact CD2-CD1 3.51Å; L220-I532 HydrophobicContact CD2-CG1 4.46Å; V222-I532 HydrophobicContact CG2-CD1 3.76Å; V222-I532 HydrophobicContact CG2-CG1 4.34Å; I532-D534 HydrophobicContact CG2-CB 4.1Å; I532-K579 WeakPolarHBondContact O-CA 3.2Å; I532-V580 HydrophobicContact CB-CB 4.15Å; I532-V580 HydrophobicContact CD1-CB 4.15Å; I532-V580 HydrophobicContact CD1-CG2 4.44Å; I532-V580 PolarHBondContact N-O 3.33Å; I532-V580 PolarHBondContact O-N 3.49Å; I532-I583 HydrophobicContact CD1-CD1 3.54Å; I532-I583 HydrophobicContact CG1-CD1 3.65Å; I532-I593 HydrophobicContact CD1-CD1 3.77Å; I532-T618 HydrophobicContact CG2-CG2 4.31Å; I532-V619 VanDerWaalsContact CA-O 3.29Å; I532-V619 WeakPolarHBondContact CA-O 3.18Å; I532-L620 HydrophobicContact CG1-CD1 3.95Å; I532-F633 HydrophobicContact CG1-CE2 4.44Å; I532-F633 HydrophobicContact CG1-CZ 4.34Å
533E97.8Very high93.7Very high65 Ų6528.7 Ų28.730%0.30415%0.15SC..EExtended strand (participates in β ladder)trans-111.6119.5161.9-62.5-158.1167.400109.9V531 K577 T618 V619V531-E533 HydrophobicContact CG1-CG 4.47Å; E533-K577 HydrophobicContact CB-CD 4.26Å; E533-K577 HydrophobicContact CG-CD 4.45Å; E533-K577 IonicContact OE1-NZ 3.9Å; E533-K577 IonicContact OE2-NZ 2.82Å; E533-K577 PolarHBondContact OE2-NZ 3.47Å; E533-T618 WeakPolarHBondContact O-CA 3.38Å; E533-V619 HydrophobicContact CB-CG2 4.02Å; E533-V619 PolarHBondContact N-O 2.91Å; E533-V619 PolarHBondContact O-N 3.11Å
534D98.1Very high94.4Very high2 Ų231.2 Ų31.21%0.01118%0.178CC..EExtended strand (participates in β ladder)trans-130.279.7-176.6-177.76.2000110.8K205 I532 I578 Y595 N615 T618K205-D534 IonicContact NZ-OD1 2.73Å; K205-D534 PolarHBondContact NZ-OD1 2.93Å; K205-D534 IonicContact NZ-OD2 3.76Å; K205-D534 PolarHBondContact NZ-OD2 3.42Å; I532-D534 HydrophobicContact CG2-CB 4.1Å; D534-I578 WeakPolarHBondContact CA-O 3.31Å; D534-I578 HydrophobicContact CB-CB 4.05Å; D534-I578 VanDerWaalsContact CB-O 3.31Å; D534-I578 WeakPolarHBondContact CB-O 3.35Å; D534-I578 PolarHBondContact N-O 3.28Å; D534-I578 PolarHBondContact O-N 3.47Å; D534-Y595 PolarHBondContact OD2-OH 3.16Å; D534-N615 VanDerWaalsContact OD1-CB 3.29Å; D534-N615 WeakPolarHBondContact OD1-CB 3.16Å; D534-N615 PolarHBondContact OD1-ND2 2.79Å; D534-T618 HydrophobicContact CB-CG2 3.73Å; D534-T618 PolarHBondContact OD1-OG1 3.34Å; D534-T618 VanDerWaalsContact OD1-OG1 3.05Å
535P98.2Very high94.9Very high35 Ų3536.1 Ų36.123%0.22721%0.208CC..EExtended strand (participates in β ladder)trans-64.3139177.126.7-32.6000110.7N615 G616 K617P535-N615 CarbonylContact O-C 3.57Å; P535-N615 VanDerWaalsContact O-CA 3.24Å; P535-N615 WeakPolarHBondContact O-CA 3.39Å; P535-N615 WeakPolarHBondContact O-CB 3.48Å; P535-N615 PolarHBondContact O-ND2 3.13Å; P535-G616 PolarHBondContact O-N 3.47Å; P535-K617 WeakPolarHBondContact CD-O 3.33Å; P535-K617 WeakPolarHBondContact CG-O 3.47Å
536L98.2Very high95.4Very high8 Ų836.1 Ų36.14%0.04221%0.208CC..BIsolated β-bridgetrans-71.9147.3175.9-64.3177.7000111V540 L542 P575 R576 I578 Y595 I597L536-V540 HydrophobicContact CB-CG2 4.25Å; L536-L542 HydrophobicContact CD1-CB 3.85Å; L536-P575 WeakPolarHBondContact CD1-O 3.49Å; L536-R576 PolarHBondContact N-O 3.5Å; L536-R576 PolarHBondContact O-NH2 2.96Å; L536-I578 HydrophobicContact CD2-CG1 4.38Å; L536-Y595 HydrophobicContact CD2-CE2 4.35Å; L536-I597 HydrophobicContact CD2-CG2 4.04Å
537G98Very high95.9Very high4 Ų439.6 Ų39.64%0.04123%0.23CC..PPolyproline II helixtrans-65.8153.5176.400000111.6M539 V540 R576 A614 N615G537-M539 VanDerWaalsContact C-N 3.26Å; G537-M539 PolarHBondContact O-N 2.82Å; G537-V540 VanDerWaalsContact O-CG2 3.3Å; G537-V540 WeakPolarHBondContact O-CG2 3.46Å; G537-V540 PolarHBondContact O-N 3.12Å; G537-V540 VanDerWaalsContact O-N 3.11Å; G537-R576 PolarHBondContact O-NH2 2.9Å; G537-A614 PolarHBondContact N-O 3.09Å; G537-A614 VanDerWaalsContact N-O 3.11Å; G537-N615 VanDerWaalsContact N-CA 3.32Å
538D97.2Very high96.2Very high145 Ų14540.9 Ų40.978%0.77524%0.237SC*.THydrogen-bonded Turntrans-56.5-40.5-172.1-60.1-26.2000112.9K600D538-K600 PolarHBondContact O-NZ 2.83Å
539M97.6Very high96.7Very high22 Ų2241.9 Ų41.911%0.10825%0.246CC..THydrogen-bonded Turntrans-928.1-176.4-70-61.5-62.700114.4G537 L599 K600 A603 S605 F606 Y612G537-M539 VanDerWaalsContact C-N 3.26Å; G537-M539 PolarHBondContact O-N 2.82Å; M539-L599 HydrophobicContact CB-CD1 4.15Å; M539-L599 WeakPolarHBondContact O-CD1 3.46Å; M539-K600 HydrophobicContact CE-CB 4.37Å; M539-K600 WeakPolarHBondContact O-CB 3.4Å; M539-K600 WeakPolarHBondContact O-CG 3.46Å; M539-K600 PolarHBondContact O-N 2.68Å; M539-A603 HydrophobicContact CE-CB 3.89Å; M539-S605 PolarHBondContact SD-OG 2.9Å; M539-S605 VanDerWaalsContact SD-OG 3.35Å; M539-F606 HydrophobicContact CE-CB 3.6Å; M539-F606 HydrophobicContact CE-CD2 4.03Å; M539-F606 HydrophobicContact CE-CG 4.31Å; M539-Y612 HydrophobicContact CB-CD1 3.62Å; M539-Y612 HydrophobicContact CB-CE1 4.1Å; M539-Y612 HydrophobicContact CB-CG 3.96Å; M539-Y612 HydrophobicContact CG-CD1 3.48Å; M539-Y612 VanDerWaalsContact CG-CD1 3.48Å; M539-Y612 HydrophobicContact CG-CE1 3.53Å; M539-Y612 HydrophobicContact CG-CG 4.31Å
540V98.1Very high97Very high0 Ų039.7 Ų39.70%024%0.237CC..EExtended strand (participates in β ladder)trans-120.6158.9178.7-54.80000112.2L536 G537 R576 I597 R598 L599 K600 A614 V638L536-V540 HydrophobicContact CB-CG2 4.25Å; G537-V540 VanDerWaalsContact O-CG2 3.3Å; G537-V540 WeakPolarHBondContact O-CG2 3.46Å; G537-V540 PolarHBondContact O-N 3.12Å; G537-V540 VanDerWaalsContact O-N 3.11Å; V540-R576 PolarHBondContact O-NH1 3.46Å; V540-R576 PolarHBondContact O-NH2 3.16Å; V540-I597 HydrophobicContact CB-CB 4.34Å; V540-I597 HydrophobicContact CB-CD1 4.28Å; V540-I597 HydrophobicContact CG1-CD1 4.05Å; V540-I597 HydrophobicContact CG2-CD1 4.33Å; V540-R598 CarbonylContact C-O 3.59Å; V540-R598 WeakPolarHBondContact CA-O 3.4Å; V540-R598 WeakPolarHBondContact CB-O 3.48Å; V540-L599 HydrophobicContact CG1-CD1 3.67Å; V540-K600 VanDerWaalsContact O-CE 3.27Å; V540-K600 WeakPolarHBondContact O-CE 3.49Å; V540-K600 PolarHBondContact O-NZ 3.27Å; V540-A614 WeakPolarHBondContact CG2-O 3.31Å; V540-V638 HydrophobicContact CG1-CG2 4.44Å
541E97.1Very high97.1Very high72 Ų7239.7 Ų39.734%0.33624%0.237SC..EExtended strand (participates in β ladder)trans-131.1154.5173.764.7-168179.700111.1I597 R598E541-I597 CarbonylContact O-C 3.48Å; E541-I597 WeakPolarHBondContact O-CA 3.44Å; E541-R598 HydrophobicContact CG-CB 3.91Å; E541-R598 PolarHBondContact N-O 2.78Å; E541-R598 PolarHBondContact O-N 2.83Å; E541-R598 WeakPolarHBondContact OE1-CD 3.45Å; E541-R598 IonicContact OE1-CZ 2.85Å; E541-R598 IonicContact OE1-NH1 3.87Å; E541-R598 PolarHBondContact OE1-NH1 2.99Å
542L97.2Very high97Very high49 Ų4938.3 Ų38.326%0.25723%0.228SC..EExtended strand (participates in β ladder)trans-76.6138.8179.4-170.263.4000110.4L536 P546 I578 Y595 K596L536-L542 HydrophobicContact CD1-CB 3.85Å; L542-P546 HydrophobicContact CD1-CG 4.46Å; L542-P546 HydrophobicContact CD2-CG 4.28Å; L542-I578 HydrophobicContact CD1-CD1 3.79Å; L542-I578 HydrophobicContact CD2-CD1 3.69Å; L542-I578 HydrophobicContact CG-CD1 4.38Å; L542-Y595 HydrophobicContact CD1-CD2 3.86Å; L542-Y595 HydrophobicContact CD1-CG 4.34Å; L542-K596 WeakPolarHBondContact CD1-O 3.18Å
543V96Very high96.8Very high43 Ų4343.3 Ų43.326%0.26126%0.255SS..EExtended strand (participates in β ladder)trans-116.6112.7172.8-177.60000109.1E215 K596 R598E215-V543 HydrophobicContact CG-CG2 4.48Å; V543-K596 HydrophobicContact CB-CB 4.11Å; V543-K596 HydrophobicContact CB-CD 3.9Å; V543-K596 HydrophobicContact CB-CG 4.04Å; V543-K596 HydrophobicContact CG1-CD 3.83Å; V543-K596 PolarHBondContact N-O 3.42Å; V543-R598 HydrophobicContact CG2-CB 3.55Å
544G93.4Very high96.6Very high57 Ų5747.5 Ų47.559%0.58827%0.268SS*.EExtended strand (participates in β ladder)trans75.8-158.6-17900000113.4
545T92.6Very high96.2Very high107 Ų10747.8 Ų47.866%0.65627%0.269SS*.EExtended strand (participates in β ladder)trans-108.5131.6-174.1-51.80000110.4
546P97Very high95.7Very high10 Ų1057.2 Ų57.27%0.06530%0.3CS..EExtended strand (participates in β ladder)trans-60.5142.1171.6-18.930.2000111.5L542 V570 I578 I593 N594L542-P546 HydrophobicContact CD1-CG 4.46Å; L542-P546 HydrophobicContact CD2-CG 4.28Å; P546-V570 HydrophobicContact CB-CG1 4.11Å; P546-V570 HydrophobicContact CB-CG2 4.26Å; P546-V570 HydrophobicContact CG-CG1 4.2Å; P546-I578 HydrophobicContact CB-CG2 4.2Å; P546-I578 HydrophobicContact CG-CD1 3.5Å; P546-I578 VanDerWaalsContact CG-CD1 3.5Å; P546-I578 HydrophobicContact CG-CG1 4.26Å; P546-I578 HydrophobicContact CG-CG2 4.12Å; P546-I593 HydrophobicContact CB-CG2 4.42Å; P546-N594 WeakPolarHBondContact CA-O 3.49Å
547V97.2Very high95.2Very high81 Ų8159.7 Ų59.749%0.49131%0.314SS..EExtended strand (participates in β ladder)trans-121.5125.6179.4-179.70000109.2I593 N594V547-I593 WeakPolarHBondContact O-CA 3.41Å; V547-N594 PolarHBondContact N-O 2.96Å; V547-N594 PolarHBondContact O-N 2.69Å
548V97.9Very high94.6Very high27 Ų2760 Ų6016%0.16432%0.316CS..EExtended strand (participates in β ladder)trans-97.1133.1171.8-178.90000108.5A568 V570 V580 I591 E592 I593V548-A568 HydrophobicContact CG1-CB 3.97Å; V548-V570 HydrophobicContact CB-CG2 4.44Å; V548-V570 HydrophobicContact CG2-CG2 3.34Å; V548-V580 HydrophobicContact CG2-CG1 4.05Å; V548-V580 HydrophobicContact CG2-CG2 4.4Å; V548-I591 HydrophobicContact CG1-CB 4.25Å; V548-I591 HydrophobicContact CG1-CG2 4.41Å; V548-E592 CarbonylContact C-O 3.58Å; V548-E592 WeakPolarHBondContact CA-O 3.41Å; V548-I593 HydrophobicContact CB-CG1 4.37Å; V548-I593 HydrophobicContact CG1-CG1 4.33Å; V548-I593 HydrophobicContact CG2-CG1 3.67Å; V548-I593 HydrophobicContact CG2-CG2 4.44Å
549S97.7Very high94.1Very high36 Ų3655.3 Ų55.325%0.25229%0.293SS..EExtended strand (participates in β ladder)trans-132.1144.2178.7-66.90000111.3I591 E592S549-I591 CarbonylContact O-C 3.46Å; S549-I591 WeakPolarHBondContact O-CA 3.38Å; S549-E592 PolarHBondContact N-O 3.4Å; S549-E592 PolarHBondContact O-N 3.34Å
550D97.8Very high93.6Very high38 Ų3858.1 Ų58.120%0.20331%0.305CS..EExtended strand (participates in β ladder)trans-78.4120.5165.5-179.24.2000109.3S552 A561 I562 M567D550-S552 WeakPolarHBondContact OD1-CB 3.28Å; D550-S552 PolarHBondContact OD1-N 3.04Å; D550-S552 PolarHBondContact OD1-OG 2.89Å; D550-A561 WeakPolarHBondContact OD2-CA 3.24Å; D550-A561 WeakPolarHBondContact OD2-CB 3.3Å; D550-I562 HydrophobicContact CB-CD1 4.31Å; D550-I562 PolarHBondContact OD2-N 2.85Å; D550-M567 HydrophobicContact CB-CE 3.95Å; D550-M567 HydrophobicContact CB-SD 3.89Å
551I96.8Very high93.3Very high1 Ų160 Ų601%0.00532%0.32CS..  trans-119.515.7175.765.783.8000112.4Y184 L553 R554 N555 E590 E592Y184-I551 HydrophobicContact CD1-CD1 3.59Å; Y184-I551 HydrophobicContact CE1-CB 4.43Å; Y184-I551 HydrophobicContact CE1-CD1 3.28Å; Y184-I551 HydrophobicContact CE1-CG1 3.92Å; Y184-I551 HydrophobicContact CG-CD1 4.5Å; I551-L553 VanDerWaalsContact C-N 3.29Å; I551-L553 PolarHBondContact O-N 3.39Å; I551-R554 HydrophobicContact CB-CB 4.29Å; I551-R554 WeakPolarHBondContact O-CA 3.34Å; I551-R554 PolarHBondContact O-N 3.31Å; I551-N555 HydrophobicContact CD1-CB 3.84Å; I551-N555 PolarHBondContact O-N 3.47Å; I551-E590 HydrophobicContact CD1-CB 3.75Å; I551-E590 HydrophobicContact CD1-CG 3.42Å; I551-E590 VanDerWaalsContact CD1-CG 3.42Å; I551-E590 WeakPolarHBondContact CD1-OE2 3.39Å; I551-E590 HydrophobicContact CG1-CB 4.39Å; I551-E590 HydrophobicContact CG1-CG 4.04Å; I551-E590 PolarHBondContact N-O 3.43Å; I551-E592 HydrophobicContact CG1-CB 3.96Å; I551-E592 HydrophobicContact CG2-CB 4.09Å
552S94.9Very high93.1Very high0 Ų057.2 Ų57.20%031%0.308CS..THydrogen-bonded Turntrans-52.7-41.9-177.9-53.70000113D550 N555 G558 K560 Q589 E590D550-S552 WeakPolarHBondContact OD1-CB 3.28Å; D550-S552 PolarHBondContact OD1-N 3.04Å; D550-S552 PolarHBondContact OD1-OG 2.89Å; S552-N555 PolarHBondContact O-OD1 3.46Å; S552-G558 CarbonylContact O-C 3.52Å; S552-G558 WeakPolarHBondContact O-CA 3.39Å; S552-G558 PolarHBondContact O-N 3.2Å; S552-K560 WeakPolarHBondContact CB-O 3.25Å; S552-Q589 VanDerWaalsContact OG-CA 3.23Å; S552-Q589 WeakPolarHBondContact OG-CA 3.34Å; S552-E590 PolarHBondContact N-O 2.88Å; S552-E590 PolarHBondContact OG-N 2.62Å
553L94.5Very high92.7Very high108 Ų10857.6 Ų57.657%0.56531%0.31SS*.THydrogen-bonded Turntrans-82.3-21.1177.6-59.3-179.8000113I551I551-L553 VanDerWaalsContact C-N 3.29Å; I551-L553 PolarHBondContact O-N 3.39Å
554R93.6Very high92.4Very high152 Ų15259.1 Ų59.157%0.57433%0.327SS*.THydrogen-bonded Turntrans-82.7-28-179.4-57.2-174.1-157.31747.7112.3Y184 I551 R556Y184-R554 HydrophobicContact CE2-CB 4.38Å; I551-R554 HydrophobicContact CB-CB 4.29Å; I551-R554 WeakPolarHBondContact O-CA 3.34Å; I551-R554 PolarHBondContact O-N 3.31Å; R554-R556 PolarHBondContact O-N 3.33Å
555N88.9Confident92.1Very high9 Ų959.9 Ų59.95%0.04832%0.318CS..THydrogen-bonded Turntrans-70.6-10.4178.973.416.1000113.6Y184 I551 S552 L557 G558 N588 E590Y184-N555 HydrophobicContact CD1-CB 4.12Å; Y184-N555 HydrophobicContact CD2-CB 4.05Å; Y184-N555 HydrophobicContact CG-CB 3.74Å; I551-N555 HydrophobicContact CD1-CB 3.84Å; I551-N555 PolarHBondContact O-N 3.47Å; S552-N555 PolarHBondContact O-OD1 3.46Å; N555-L557 PolarHBondContact O-N 2.89Å; N555-L557 WeakPolarHBondContact OD1-CA 3.21Å; N555-L557 WeakPolarHBondContact OD1-CB 3.46Å; N555-L557 PolarHBondContact OD1-N 3.25Å; N555-G558 PolarHBondContact OD1-N 3.33Å; N555-N588 PolarHBondContact ND2-O 3.32Å; N555-N588 VanDerWaalsContact ND2-O 3.13Å; N555-E590 WeakPolarHBondContact CB-OE2 3.26Å; N555-E590 WeakPolarHBondContact ND2-CB 3.34Å; N555-E590 PolarHBondContact ND2-OE2 2.86Å
556R87.2Confident91.9Very high232 Ų23256.4 Ų56.488%0.87529%0.293SS*.THydrogen-bonded Turntrans6217.2-178.8-49.5-179.4-177.9-174.7-1114.6R554R554-R556 PolarHBondContact O-N 3.33Å
557L87.6Confident91.8Very high61 Ų6157.9 Ų57.932%0.31930%0.3SS..SBendtrans-116.1-42.7175.2-61.7171.7000110.6R223 N555 N588R223-L557 VanDerWaalsContact CZ-CD1 3.47Å; N555-L557 PolarHBondContact O-N 2.89Å; N555-L557 WeakPolarHBondContact OD1-CA 3.21Å; N555-L557 WeakPolarHBondContact OD1-CB 3.46Å; N555-L557 PolarHBondContact OD1-N 3.25Å; L557-N588 HydrophobicContact CB-CB 3.89Å
558G86.6Confident91.9Very high9 Ų954.6 Ų54.69%0.09328%0.281CS..  trans-73.6148.3174.500000111.9S552 N555S552-G558 CarbonylContact O-C 3.52Å; S552-G558 WeakPolarHBondContact O-CA 3.39Å; S552-G558 PolarHBondContact O-N 3.2Å; N555-G558 PolarHBondContact OD1-N 3.33Å
559T86Confident91.8Very high47 Ų4759.1 Ų59.129%0.28830%0.295SS..  trans-120.8-21.5-169.178.80000111.3F99 L101F99-T559 HydrophobicContact CD1-CG2 3.59Å; F99-T559 HydrophobicContact CE1-CG2 2.93Å; F99-T559 HydrophobicContact CZ-CG2 3.64Å; L101-T559 HydrophobicContact CD2-CG2 3.69Å; L101-T559 WeakPolarHBondContact CD2-OG1 3.38Å; L101-T559 HydrophobicContact CG-CG2 4.42Å
560K87.5Confident91.7Very high82 Ų8259.5 Ų59.536%0.35730%0.296SS..SBendtrans-127.8141.4177.6-164-167.8167.4-163.60109S552 D563 Y586S552-K560 WeakPolarHBondContact CB-O 3.25Å; K560-D563 WeakPolarHBondContact CE-OD1 2.91Å; K560-D563 IonicContact NZ-OD1 2.71Å; K560-D563 PolarHBondContact NZ-OD1 3.04Å; K560-D563 VanDerWaalsContact NZ-OD1 3.15Å; K560-D563 IonicContact NZ-OD2 2.85Å; K560-D563 PolarHBondContact NZ-OD2 2.88Å; K560-Y586 PolarHBondContact NZ-OH 3.13Å
561A92.7Very high91.5Very high40 Ų4059.7 Ų59.733%0.33130%0.297SS..PPolyproline II helixtrans-67.2162.6166.900000111.1D550 Q589D550-A561 WeakPolarHBondContact OD2-CA 3.24Å; D550-A561 WeakPolarHBondContact OD2-CB 3.3Å; A561-Q589 PolarHBondContact O-NE2 2.8Å
562I92Very high91.1Very high13 Ų1363.7 Ų63.77%0.06733%0.325CS..PPolyproline II helixtrans-77.1131.1172-58.8164.3000108.2D550 K566 M567 L585 Q589 I591D550-I562 HydrophobicContact CB-CD1 4.31Å; D550-I562 PolarHBondContact OD2-N 2.85Å; I562-K566 HydrophobicContact CG2-CB 4.15Å; I562-M567 HydrophobicContact CB-CG 4.44Å; I562-M567 HydrophobicContact CB-SD 3.61Å; I562-M567 HydrophobicContact CD1-SD 3.93Å; I562-M567 HydrophobicContact CG1-SD 4.37Å; I562-M567 HydrophobicContact CG2-CG 4.1Å; I562-M567 HydrophobicContact CG2-SD 3.66Å; I562-L585 HydrophobicContact CD1-CD2 3.52Å; I562-L585 HydrophobicContact CG1-CD2 4.15Å; I562-Q589 HydrophobicContact CD1-CB 4.41Å; I562-Q589 HydrophobicContact CG1-CB 3.93Å; I562-Q589 HydrophobicContact CG1-CG 3.94Å; I562-I591 HydrophobicContact CD1-CG2 3.5Å; I562-I591 VanDerWaalsContact CD1-CG2 3.5Å
563D88.5Confident90.9Very high56 Ų5668 Ų6830%0.29936%0.355SS..PPolyproline II helixtrans-62.3140178.4-66.1-32.2000110.2K560 D565 K566 M567K560-D563 WeakPolarHBondContact CE-OD1 2.91Å; K560-D563 IonicContact NZ-OD1 2.71Å; K560-D563 PolarHBondContact NZ-OD1 3.04Å; K560-D563 VanDerWaalsContact NZ-OD1 3.15Å; K560-D563 IonicContact NZ-OD2 2.85Å; K560-D563 PolarHBondContact NZ-OD2 2.88Å; D563-D565 PolarHBondContact O-N 3.14Å; D563-D565 VanDerWaalsContact O-N 3.13Å; D563-K566 HydrophobicContact CB-CB 4.44Å; D563-K566 HydrophobicContact CB-CG 4.19Å; D563-K566 CarbonylContact O-C 3.46Å; D563-K566 WeakPolarHBondContact O-CA 3.39Å; D563-K566 WeakPolarHBondContact O-CB 3.32Å; D563-K566 PolarHBondContact O-N 3.44Å; D563-M567 PolarHBondContact O-N 3.11Å; D563-M567 VanDerWaalsContact O-N 3.14Å
564A90.2Very high90.8Very high75 Ų7566.1 Ų66.162%0.6235%0.345SS*.THydrogen-bonded Turntrans-63.1-26.9-16600000114.4K566A564-K566 VanDerWaalsContact C-N 3.35Å
565D86.8Confident90.7Very high74 Ų7463.4 Ų63.440%0.39635%0.347SS..THydrogen-bonded Turntrans-77.8-20.1173.163.9-48.4000113.1D563 N582D563-D565 PolarHBondContact O-N 3.14Å; D563-D565 VanDerWaalsContact O-N 3.13Å; D565-N582 PolarHBondContact O-ND2 3.34Å
566K89.5Confident91Very high33 Ų3367 Ų6714%0.14336%0.36CS..THydrogen-bonded Turntrans-96.8-4.4179.4-56.8-65.7172.4156.70113.6E521 I562 D563 A564 N584E521-K566 IonicContact OE1-NZ 2.96Å; E521-K566 WeakPolarHBondContact OE2-CE 3.31Å; E521-K566 IonicContact OE2-NZ 3.52Å; E521-K566 PolarHBondContact OE2-NZ 3.33Å; I562-K566 HydrophobicContact CG2-CB 4.15Å; D563-K566 HydrophobicContact CB-CB 4.44Å; D563-K566 HydrophobicContact CB-CG 4.19Å; D563-K566 CarbonylContact O-C 3.46Å; D563-K566 WeakPolarHBondContact O-CA 3.39Å; D563-K566 WeakPolarHBondContact O-CB 3.32Å; D563-K566 PolarHBondContact O-N 3.44Å; A564-K566 VanDerWaalsContact C-N 3.35Å; K566-N584 HydrophobicContact CB-CB 4.19Å; K566-N584 PolarHBondContact O-ND2 2.82Å
567M95.2Very high91.4Very high42 Ų4258.6 Ų58.621%0.20733%0.33CS..  trans-59.6138.9175.7-82.9-62.3-70.100112.4D550 I562 D563 N582D550-M567 HydrophobicContact CB-CE 3.95Å; D550-M567 HydrophobicContact CB-SD 3.89Å; I562-M567 HydrophobicContact CB-CG 4.44Å; I562-M567 HydrophobicContact CB-SD 3.61Å; I562-M567 HydrophobicContact CD1-SD 3.93Å; I562-M567 HydrophobicContact CG1-SD 4.37Å; I562-M567 HydrophobicContact CG2-CG 4.1Å; I562-M567 HydrophobicContact CG2-SD 3.66Å; D563-M567 PolarHBondContact O-N 3.11Å; D563-M567 VanDerWaalsContact O-N 3.14Å; M567-N582 PolarHBondContact O-ND2 2.88Å
568A97.4Very high91.8Very high11 Ų1156 Ų569%0.09132%0.316CS..  trans-65.5151.4174.600000111.8V548 V580 T581 N582 I583 I591V548-A568 HydrophobicContact CG1-CB 3.97Å; A568-V580 HydrophobicContact CB-CG1 3.86Å; A568-T581 CarbonylContact C-O 3.54Å; A568-T581 VanDerWaalsContact CA-O 3.29Å; A568-T581 WeakPolarHBondContact CA-O 3.32Å; A568-N582 WeakPolarHBondContact CA-O 3.34Å; A568-N582 PolarHBondContact N-O 3.18Å; A568-I583 HydrophobicContact CB-CB 4.45Å; A568-I583 HydrophobicContact CB-CG1 3.78Å; A568-I591 HydrophobicContact CB-CD1 3.74Å; A568-I591 HydrophobicContact CB-CG2 4.38Å
569R96.1Very high92.4Very high123 Ų12358.6 Ų58.646%0.46433%0.325SS..EExtended strand (participates in β ladder)trans-128.7138.5-173.5-58.9-178.2-172.9173.33.3110.5V580 T581R569-V580 CarbonylContact O-C 3.52Å; R569-V580 VanDerWaalsContact O-CA 3.27Å; R569-V580 WeakPolarHBondContact O-CA 3.44Å; R569-T581 PolarHBondContact N-O 3.13Å; R569-T581 PolarHBondContact O-N 3.01Å
570V95.8Very high92.9Very high43 Ų4356.4 Ų56.426%0.26131%0.312SS..EExtended strand (participates in β ladder)trans-80125.4171-176.70000108.7P546 V548P546-V570 HydrophobicContact CB-CG1 4.11Å; P546-V570 HydrophobicContact CB-CG2 4.26Å; P546-V570 HydrophobicContact CG-CG1 4.2Å; V548-V570 HydrophobicContact CB-CG2 4.44Å; V548-V570 HydrophobicContact CG2-CG2 3.34Å
571D93.8Very high93.4Very high42 Ų4254.3 Ų54.323%0.22531%0.306CS..EExtended strand (participates in β ladder)trans-92.3114.7167.5177.3-6.8000107.8S573 K579D571-S573 WeakPolarHBondContact OD1-CB 3.41Å; D571-S573 PolarHBondContact OD1-N 3.3Å; D571-S573 PolarHBondContact OD1-OG 2.85Å; D571-K579 HydrophobicContact CB-CB 4.03Å; D571-K579 HydrophobicContact CB-CD 4.25Å; D571-K579 HydrophobicContact CB-CG 4.07Å; D571-K579 PolarHBondContact N-O 3.44Å; D571-K579 WeakPolarHBondContact OD2-CD 3.45Å; D571-K579 WeakPolarHBondContact OD2-CE 3.48Å; D571-K579 IonicContact OD2-NZ 3.24Å; D571-K579 PolarHBondContact OD2-NZ 3.02Å
572S88.3Confident93.5Very high85 Ų8554.4 Ų54.459%0.59430%0.301SS*.  trans-101.316.1-175.8-55.70000113D574S572-D574 VanDerWaalsContact C-N 3.33Å; S572-D574 PolarHBondContact O-N 3.47Å
573S90.9Very high93.7Very high92 Ų9253.8 Ų53.864%0.64330%0.298SS*.SBendtrans-65.6-31.8-178.154.90000113.8D571D571-S573 WeakPolarHBondContact OD1-CB 3.41Å; D571-S573 PolarHBondContact OD1-N 3.3Å; D571-S573 PolarHBondContact OD1-OG 2.85Å
574D93.1Very high93.9Very high67 Ų6751.5 Ų51.536%0.35829%0.285SS..  trans-115109.4178.3-177.4-5.8000110.9S572 R576 K577S572-D574 VanDerWaalsContact C-N 3.33Å; S572-D574 PolarHBondContact O-N 3.47Å; D574-R576 PolarHBondContact O-N 2.71Å; D574-R576 VanDerWaalsContact O-N 3.11Å; D574-R576 WeakPolarHBondContact OD1-CA 3.39Å; D574-R576 WeakPolarHBondContact OD1-CB 3.43Å; D574-R576 PolarHBondContact OD1-N 2.86Å; D574-K577 HydrophobicContact CB-CB 4.17Å; D574-K577 PolarHBondContact O-N 3.31Å; D574-K577 VanDerWaalsContact O-N 3.13Å; D574-K577 WeakPolarHBondContact OD2-CB 3.48Å
575P90Very high94Very high95 Ų9548 Ų4862%0.61726%0.256SS*.THydrogen-bonded Turntrans-67.8-10.1179.129.5-35.8000113.7L536L536-P575 WeakPolarHBondContact CD1-O 3.49Å
576R95.6Very high94.1Very high85 Ų8545.1 Ų45.132%0.32124%0.24SC..THydrogen-bonded Turntrans-98.7-2176.5-64.3-57.3-54.8155-1.4113.5L536 G537 V540 D574L536-R576 PolarHBondContact N-O 3.5Å; L536-R576 PolarHBondContact O-NH2 2.96Å; G537-R576 PolarHBondContact O-NH2 2.9Å; V540-R576 PolarHBondContact O-NH1 3.46Å; V540-R576 PolarHBondContact O-NH2 3.16Å; D574-R576 PolarHBondContact O-N 2.71Å; D574-R576 VanDerWaalsContact O-N 3.11Å; D574-R576 WeakPolarHBondContact OD1-CA 3.39Å; D574-R576 WeakPolarHBondContact OD1-CB 3.43Å; D574-R576 PolarHBondContact OD1-N 2.86Å
577K96.1Very high93.8Very high55 Ų5543.7 Ų43.724%0.23924%0.235CC..EExtended strand (participates in β ladder)trans-139.4119.1179.2-174-175.1-68.9-166.20110.7E533 D574 K579E533-K577 HydrophobicContact CB-CD 4.26Å; E533-K577 HydrophobicContact CG-CD 4.45Å; E533-K577 IonicContact OE1-NZ 3.9Å; E533-K577 IonicContact OE2-NZ 2.82Å; E533-K577 PolarHBondContact OE2-NZ 3.47Å; D574-K577 HydrophobicContact CB-CB 4.17Å; D574-K577 PolarHBondContact O-N 3.31Å; D574-K577 VanDerWaalsContact O-N 3.13Å; D574-K577 WeakPolarHBondContact OD2-CB 3.48Å; K577-K579 PolarHBondContact O-N 2.86Å
578I96.9Very high93.5Very high6 Ų642.9 Ų42.93%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-75.4111.7167.1-52.1-44.9000107.3D534 L536 L542 P546 V580 I593 Y595D534-I578 WeakPolarHBondContact CA-O 3.31Å; D534-I578 HydrophobicContact CB-CB 4.05Å; D534-I578 VanDerWaalsContact CB-O 3.31Å; D534-I578 WeakPolarHBondContact CB-O 3.35Å; D534-I578 PolarHBondContact N-O 3.28Å; D534-I578 PolarHBondContact O-N 3.47Å; L536-I578 HydrophobicContact CD2-CG1 4.38Å; L542-I578 HydrophobicContact CD1-CD1 3.79Å; L542-I578 HydrophobicContact CD2-CD1 3.69Å; L542-I578 HydrophobicContact CG-CD1 4.38Å; P546-I578 HydrophobicContact CB-CG2 4.2Å; P546-I578 HydrophobicContact CG-CD1 3.5Å; P546-I578 VanDerWaalsContact CG-CD1 3.5Å; P546-I578 HydrophobicContact CG-CG1 4.26Å; P546-I578 HydrophobicContact CG-CG2 4.12Å; I578-V580 HydrophobicContact CG2-CG2 4.38Å; I578-I593 HydrophobicContact CG2-CG2 4.5Å; I578-Y595 HydrophobicContact CG1-CD1 4.49Å; I578-Y595 HydrophobicContact CG1-CD2 4.49Å; I578-Y595 HydrophobicContact CG1-CE1 4.37Å; I578-Y595 HydrophobicContact CG1-CE2 4.39Å
579K97.7Very high93.3Very high64 Ų6442.5 Ų42.528%0.27823%0.228SC..EExtended strand (participates in β ladder)trans-113.2131.4176.2-178.4174.7166.8-1450109.2V531 I532 D571 K577 T581V531-K579 HydrophobicContact CG1-CG 4.41Å; I532-K579 WeakPolarHBondContact O-CA 3.2Å; D571-K579 HydrophobicContact CB-CB 4.03Å; D571-K579 HydrophobicContact CB-CD 4.25Å; D571-K579 HydrophobicContact CB-CG 4.07Å; D571-K579 PolarHBondContact N-O 3.44Å; D571-K579 WeakPolarHBondContact OD2-CD 3.45Å; D571-K579 WeakPolarHBondContact OD2-CE 3.48Å; D571-K579 IonicContact OD2-NZ 3.24Å; D571-K579 PolarHBondContact OD2-NZ 3.02Å; K577-K579 PolarHBondContact O-N 2.86Å; K579-T581 HydrophobicContact CG-CG2 4.22Å
580V98.1Very high93.3Very high1 Ų136.7 Ų36.71%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-125.1126.8178.8-175.60000107.8V531 I532 V548 A568 R569 I578 I583 I593V531-V580 CarbonylContact C-O 3.59Å; V531-V580 VanDerWaalsContact CA-O 3.25Å; V531-V580 WeakPolarHBondContact CA-O 3.47Å; I532-V580 HydrophobicContact CB-CB 4.15Å; I532-V580 HydrophobicContact CD1-CB 4.15Å; I532-V580 HydrophobicContact CD1-CG2 4.44Å; I532-V580 PolarHBondContact N-O 3.33Å; I532-V580 PolarHBondContact O-N 3.49Å; V548-V580 HydrophobicContact CG2-CG1 4.05Å; V548-V580 HydrophobicContact CG2-CG2 4.4Å; A568-V580 HydrophobicContact CB-CG1 3.86Å; R569-V580 CarbonylContact O-C 3.52Å; R569-V580 VanDerWaalsContact O-CA 3.27Å; R569-V580 WeakPolarHBondContact O-CA 3.44Å; I578-V580 HydrophobicContact CG2-CG2 4.38Å; V580-I583 HydrophobicContact CB-CD1 4.49Å; V580-I583 HydrophobicContact CG1-CD1 4.16Å; V580-I583 HydrophobicContact CG1-CG1 4.12Å; V580-I593 HydrophobicContact CG2-CD1 4.39Å; V580-I593 HydrophobicContact CG2-CG1 4.04Å; V580-I593 HydrophobicContact CG2-CG2 4.43Å
581T96.7Very high93.5Very high39 Ų3934.7 Ų34.724%0.23919%0.193CC..EExtended strand (participates in β ladder)trans-120.6172.2-176.362.90000111V531 A568 R569 K579 I583V531-T581 HydrophobicContact CG1-CG2 4.39Å; V531-T581 HydrophobicContact CG2-CG2 4.39Å; A568-T581 CarbonylContact C-O 3.54Å; A568-T581 VanDerWaalsContact CA-O 3.29Å; A568-T581 WeakPolarHBondContact CA-O 3.32Å; R569-T581 PolarHBondContact N-O 3.13Å; R569-T581 PolarHBondContact O-N 3.01Å; K579-T581 HydrophobicContact CG-CG2 4.22Å; T581-I583 VanDerWaalsContact C-N 3.32Å; T581-I583 PolarHBondContact O-N 2.67Å
582N94.7Very high93.7Very high41 Ų4133.2 Ų33.222%0.21919%0.185CC..EExtended strand (participates in β ladder)trans57.840.5177.1-16749.1000113.2G530 D565 M567 A568 N584G530-N582 PolarHBondContact O-N 2.98Å; D565-N582 PolarHBondContact O-ND2 3.34Å; M567-N582 PolarHBondContact O-ND2 2.88Å; A568-N582 WeakPolarHBondContact CA-O 3.34Å; A568-N582 PolarHBondContact N-O 3.18Å; N582-N584 PolarHBondContact O-N 3.3Å; N582-N584 PolarHBondContact O-ND2 3.36Å; N582-N584 PolarHBondContact OD1-ND2 2.81Å
583I96.6Very high94.2Very high0 Ų029.3 Ų29.30%016%0.158CC..EExtended strand (participates in β ladder)trans-81.3116.7175.3-53.4167.9000108.3V527 Q529 G530 I532 A568 V580 T581 L585 I591 L620V527-I583 HydrophobicContact CB-CG2 4.39Å; V527-I583 HydrophobicContact CG1-CB 3.99Å; V527-I583 HydrophobicContact CG1-CG2 3.63Å; Q529-I583 PolarHBondContact N-O 3.38Å; Q529-I583 VanDerWaalsContact N-O 3.12Å; G530-I583 PolarHBondContact N-O 2.78Å; G530-I583 WeakPolarHBondContact O-CB 3.2Å; G530-I583 WeakPolarHBondContact O-CG1 3.38Å; G530-I583 PolarHBondContact O-N 3.03Å; G530-I583 VanDerWaalsContact O-N 3.1Å; I532-I583 HydrophobicContact CD1-CD1 3.54Å; I532-I583 HydrophobicContact CG1-CD1 3.65Å; A568-I583 HydrophobicContact CB-CB 4.45Å; A568-I583 HydrophobicContact CB-CG1 3.78Å; V580-I583 HydrophobicContact CB-CD1 4.49Å; V580-I583 HydrophobicContact CG1-CD1 4.16Å; V580-I583 HydrophobicContact CG1-CG1 4.12Å; T581-I583 VanDerWaalsContact C-N 3.32Å; T581-I583 PolarHBondContact O-N 2.67Å; I583-L585 HydrophobicContact CG2-CD1 3.59Å; I583-L585 HydrophobicContact CG2-CD2 4.5Å; I583-L585 HydrophobicContact CG2-CG 3.76Å; I583-I591 HydrophobicContact CB-CD1 4.36Å; I583-I591 HydrophobicContact CD1-CD1 3.96Å; I583-I591 HydrophobicContact CG1-CD1 3.76Å; I583-I591 HydrophobicContact CG2-CD1 3.76Å; I583-I591 HydrophobicContact CG2-CG1 4.46Å; I583-L620 HydrophobicContact CD1-CD1 3.98Å
584N92.9Very high94.5Very high8 Ų827.5 Ų27.54%0.04314%0.141CC..EExtended strand (participates in β ladder)trans-131.2106.8-178.3-57.8-76.2000108.5M525 V527 Q529 K566 N582M525-N584 HydrophobicContact CE-CB 3.75Å; M525-N584 HydrophobicContact SD-CB 4.12Å; V527-N584 CarbonylContact O-C 3.6Å; V527-N584 VanDerWaalsContact O-CA 3.32Å; V527-N584 WeakPolarHBondContact O-CA 3.29Å; Q529-N584 PolarHBondContact N-OD1 3.36Å; K566-N584 HydrophobicContact CB-CB 4.19Å; K566-N584 PolarHBondContact O-ND2 2.82Å; N582-N584 PolarHBondContact O-N 3.3Å; N582-N584 PolarHBondContact O-ND2 3.36Å; N582-N584 PolarHBondContact OD1-ND2 2.81Å
585L92.8Very high94.7Very high1 Ų124.9 Ų24.91%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-134133.2-169.1-55.4172.2000111.4V222 T526 V527 I562 I583 Q589 I591V222-L585 HydrophobicContact CB-CD1 4.14Å; V222-L585 HydrophobicContact CG1-CD1 3.67Å; V222-L585 VanDerWaalsContact O-CD1 3.31Å; V222-L585 WeakPolarHBondContact O-CD1 3.31Å; T526-L585 PolarHBondContact N-O 2.81Å; T526-L585 PolarHBondContact OG1-O 2.88Å; V527-L585 HydrophobicContact CB-CB 4.13Å; V527-L585 HydrophobicContact CB-CD1 4.36Å; V527-L585 HydrophobicContact CB-CG 4.38Å; V527-L585 HydrophobicContact CG2-CB 4.42Å; V527-L585 HydrophobicContact CG2-CD1 4.27Å; V527-L585 PolarHBondContact N-O 3.46Å; V527-L585 PolarHBondContact O-N 3.36Å; I562-L585 HydrophobicContact CD1-CD2 3.52Å; I562-L585 HydrophobicContact CG1-CD2 4.15Å; I583-L585 HydrophobicContact CG2-CD1 3.59Å; I583-L585 HydrophobicContact CG2-CD2 4.5Å; I583-L585 HydrophobicContact CG2-CG 3.76Å; L585-Q589 HydrophobicContact CB-CB 4.38Å; L585-Q589 HydrophobicContact CD2-CB 3.86Å; L585-I591 HydrophobicContact CD2-CG2 4.19Å
586Y87.3Confident95.1Very high15 Ų1523.2 Ų23.26%0.05911%0.109CC..  trans-147.4164.216766.3-82.2000110.2D225 L524 M525 K560 N588 Q589D225-Y586 WeakPolarHBondContact O-CA 3.41Å; L524-Y586 HydrophobicContact CB-CD2 4.47Å; L524-Y586 HydrophobicContact CB-CG 4.5Å; M525-Y586 HydrophobicContact CE-CD1 4.41Å; M525-Y586 HydrophobicContact CG-CD1 4.25Å; K560-Y586 PolarHBondContact NZ-OH 3.13Å; Y586-N588 PolarHBondContact O-N 3.35Å; Y586-Q589 VanDerWaalsContact N-OE1 3.16Å; Y586-Q589 VanDerWaalsContact O-CB 3.23Å; Y586-Q589 WeakPolarHBondContact O-CB 3.42Å; Y586-Q589 WeakPolarHBondContact O-CG 3.36Å; Y586-Q589 PolarHBondContact O-N 3.38Å; Y586-Q589 VanDerWaalsContact O-N 3.12Å; Y586-Q589 PolarHBondContact O-OE1 3.04Å
587G83.7Confident95.3Very high3 Ų319.2 Ų19.23%0.0319%0.094CC..THydrogen-bonded Turntrans62.840.5167.800000114.6D225 Q589D225-G587 PolarHBondContact O-N 2.83Å; G587-Q589 PolarHBondContact O-N 2.98Å
588N89.2Confident95.4Very high24 Ų2419.2 Ų19.213%0.1289%0.092CC..THydrogen-bonded Turntrans64.219-177.3-62.2-66.9000114.6G224 D225 N555 L557 Y586G224-N588 CarbonylContact O-C 3.58Å; G224-N588 WeakPolarHBondContact O-CA 3.34Å; G224-N588 PolarHBondContact O-N 3.11Å; D225-N588 PolarHBondContact OD1-ND2 3.26Å; D225-N588 VanDerWaalsContact OD1-ND2 3.17Å; D225-N588 PolarHBondContact OD1-OD1 3.1Å; N555-N588 PolarHBondContact ND2-O 3.32Å; N555-N588 VanDerWaalsContact ND2-O 3.13Å; L557-N588 HydrophobicContact CB-CB 3.89Å; Y586-N588 PolarHBondContact O-N 3.35Å
589Q93.4Very high95.4Very high4 Ų419 Ų192%0.0199%0.091CC..EExtended strand (participates in β ladder)trans-60.9141.9166.5-75.6170.9-21.600110.7R223 G224 S552 A561 I562 L585 Y586 G587R223-Q589 WeakPolarHBondContact CA-O 3.25Å; G224-Q589 PolarHBondContact N-O 3.17Å; G224-Q589 PolarHBondContact O-N 2.68Å; S552-Q589 VanDerWaalsContact OG-CA 3.23Å; S552-Q589 WeakPolarHBondContact OG-CA 3.34Å; A561-Q589 PolarHBondContact O-NE2 2.8Å; I562-Q589 HydrophobicContact CD1-CB 4.41Å; I562-Q589 HydrophobicContact CG1-CB 3.93Å; I562-Q589 HydrophobicContact CG1-CG 3.94Å; L585-Q589 HydrophobicContact CB-CB 4.38Å; L585-Q589 HydrophobicContact CD2-CB 3.86Å; Y586-Q589 VanDerWaalsContact N-OE1 3.16Å; Y586-Q589 VanDerWaalsContact O-CB 3.23Å; Y586-Q589 WeakPolarHBondContact O-CB 3.42Å; Y586-Q589 WeakPolarHBondContact O-CG 3.36Å; Y586-Q589 PolarHBondContact O-N 3.38Å; Y586-Q589 VanDerWaalsContact O-N 3.12Å; Y586-Q589 PolarHBondContact O-OE1 3.04Å; G587-Q589 PolarHBondContact O-N 2.98Å
590E96.8Very high95.4Very high0 Ų018.5 Ų18.50%09%0.089CC..EExtended strand (participates in β ladder)trans-147.1131.3-174.4-178.2172-176.600111.5Y188 N221 V222 R223 I551 S552 N555Y188-E590 WeakPolarHBondContact CE1-OE1 3.36Å; Y188-E590 PolarHBondContact OH-OE1 3.43Å; N221-E590 WeakPolarHBondContact CB-OE1 3.13Å; N221-E590 PolarHBondContact ND2-OE1 2.89Å; V222-E590 VanDerWaalsContact O-CA 3.3Å; V222-E590 WeakPolarHBondContact O-CA 3.33Å; V222-E590 WeakPolarHBondContact O-CG 3.43Å; R223-E590 HydrophobicContact CB-CB 4.03Å; R223-E590 HydrophobicContact CB-CG 3.95Å; R223-E590 HydrophobicContact CG-CB 4.13Å; R223-E590 IonicContact CZ-OE2 3.11Å; R223-E590 IonicContact NE-OE2 2.98Å; R223-E590 PolarHBondContact NE-OE2 2.86Å; R223-E590 IonicContact NH2-OE1 3.69Å; R223-E590 IonicContact NH2-OE2 3.03Å; R223-E590 PolarHBondContact NH2-OE2 3.48Å; I551-E590 HydrophobicContact CD1-CB 3.75Å; I551-E590 HydrophobicContact CD1-CG 3.42Å; I551-E590 VanDerWaalsContact CD1-CG 3.42Å; I551-E590 WeakPolarHBondContact CD1-OE2 3.39Å; I551-E590 HydrophobicContact CG1-CB 4.39Å; I551-E590 HydrophobicContact CG1-CG 4.04Å; I551-E590 PolarHBondContact N-O 3.43Å; S552-E590 PolarHBondContact N-O 2.88Å; S552-E590 PolarHBondContact OG-N 2.62Å; N555-E590 WeakPolarHBondContact CB-OE2 3.26Å; N555-E590 WeakPolarHBondContact ND2-CB 3.34Å; N555-E590 PolarHBondContact ND2-OE2 2.86Å
591I98.3Very high95.2Very high1 Ų119.3 Ų19.31%0.0059%0.094CC..EExtended strand (participates in β ladder)trans-99.7149.2168.960.4171.3000110.6N221 V222 V548 S549 I562 A568 I583 L585 I593N221-I591 WeakPolarHBondContact CA-O 3.37Å; V222-I591 HydrophobicContact CB-CG1 4.05Å; V222-I591 PolarHBondContact N-O 3.2Å; V222-I591 VanDerWaalsContact N-O 3.12Å; V222-I591 PolarHBondContact O-N 3.18Å; V548-I591 HydrophobicContact CG1-CB 4.25Å; V548-I591 HydrophobicContact CG1-CG2 4.41Å; S549-I591 CarbonylContact O-C 3.46Å; S549-I591 WeakPolarHBondContact O-CA 3.38Å; I562-I591 HydrophobicContact CD1-CG2 3.5Å; I562-I591 VanDerWaalsContact CD1-CG2 3.5Å; A568-I591 HydrophobicContact CB-CD1 3.74Å; A568-I591 HydrophobicContact CB-CG2 4.38Å; I583-I591 HydrophobicContact CB-CD1 4.36Å; I583-I591 HydrophobicContact CD1-CD1 3.96Å; I583-I591 HydrophobicContact CG1-CD1 3.76Å; I583-I591 HydrophobicContact CG2-CD1 3.76Å; I583-I591 HydrophobicContact CG2-CG1 4.46Å; L585-I591 HydrophobicContact CD2-CG2 4.19Å; I591-I593 HydrophobicContact CD1-CD1 3.92Å; I591-I593 HydrophobicContact CG1-CD1 4.22Å
592E98.3Very high95Very high12 Ų1221.9 Ų21.96%0.05610%0.103CC..EExtended strand (participates in β ladder)trans-123.8129.9170.7-173.8174.898.700110K219 L220 N221 V548 S549 I551 N594K219-E592 VanDerWaalsContact CD-CD 3.42Å; K219-E592 HydrophobicContact CD-CG 3.96Å; K219-E592 WeakPolarHBondContact CD-OE2 3.44Å; K219-E592 WeakPolarHBondContact CE-OE1 3.11Å; K219-E592 VanDerWaalsContact CE-OE2 3.26Å; K219-E592 WeakPolarHBondContact CE-OE2 3.44Å; K219-E592 HydrophobicContact CG-CG 3.66Å; K219-E592 IonicContact NZ-OE1 3.55Å; K219-E592 PolarHBondContact NZ-OE1 2.78Å; K219-E592 IonicContact NZ-OE2 3.69Å; K219-E592 PolarHBondContact NZ-OE2 3.49Å; L220-E592 CarbonylContact O-C 3.55Å; L220-E592 WeakPolarHBondContact O-CA 3.45Å; N221-E592 WeakPolarHBondContact ND2-CB 3.38Å; N221-E592 WeakPolarHBondContact ND2-CG 3.49Å; N221-E592 PolarHBondContact ND2-OE2 3.11Å; V548-E592 CarbonylContact C-O 3.58Å; V548-E592 WeakPolarHBondContact CA-O 3.41Å; S549-E592 PolarHBondContact N-O 3.4Å; S549-E592 PolarHBondContact O-N 3.34Å; I551-E592 HydrophobicContact CG1-CB 3.96Å; I551-E592 HydrophobicContact CG2-CB 4.09Å; E592-N594 WeakPolarHBondContact CG-ND2 3.39Å; E592-N594 PolarHBondContact OE1-ND2 2.9Å; E592-N594 PolarHBondContact OE1-OD1 3.49Å
593I98.4Very high94.9Very high2 Ų221.6 Ų21.61%0.0111%0.106CC..EExtended strand (participates in β ladder)trans-110.1119.1174.8-56.4103.2000108.3K219 L220 I532 P546 V547 V548 I578 V580 I591 Y595K219-I593 CarbonylContact C-O 3.45Å; K219-I593 WeakPolarHBondContact CA-O 3.25Å; L220-I593 HydrophobicContact CB-CB 4.42Å; L220-I593 HydrophobicContact CD2-CD1 3.55Å; L220-I593 PolarHBondContact N-O 3.26Å; L220-I593 PolarHBondContact O-N 3.32Å; I532-I593 HydrophobicContact CD1-CD1 3.77Å; P546-I593 HydrophobicContact CB-CG2 4.42Å; V547-I593 WeakPolarHBondContact O-CA 3.41Å; V548-I593 HydrophobicContact CB-CG1 4.37Å; V548-I593 HydrophobicContact CG1-CG1 4.33Å; V548-I593 HydrophobicContact CG2-CG1 3.67Å; V548-I593 HydrophobicContact CG2-CG2 4.44Å; I578-I593 HydrophobicContact CG2-CG2 4.5Å; V580-I593 HydrophobicContact CG2-CD1 4.39Å; V580-I593 HydrophobicContact CG2-CG1 4.04Å; V580-I593 HydrophobicContact CG2-CG2 4.43Å; I591-I593 HydrophobicContact CD1-CD1 3.92Å; I591-I593 HydrophobicContact CG1-CD1 4.22Å; I593-Y595 HydrophobicContact CG2-CD1 4.24Å
594N97.9Very high94.6Very high54 Ų5428 Ų2829%0.28915%0.151SC..EExtended strand (participates in β ladder)trans-113.2131.3178-67.6-73.1000109.5K219 P546 V547 E592K219-N594 WeakPolarHBondContact CE-OD1 3.44Å; P546-N594 WeakPolarHBondContact CA-O 3.49Å; V547-N594 PolarHBondContact N-O 2.96Å; V547-N594 PolarHBondContact O-N 2.69Å; E592-N594 WeakPolarHBondContact CG-ND2 3.39Å; E592-N594 PolarHBondContact OE1-ND2 2.9Å; E592-N594 PolarHBondContact OE1-OD1 3.49Å
595Y98Very high94.6Very high13 Ų1331.2 Ų31.25%0.05117%0.174CC..EExtended strand (participates in β ladder)trans-150.1172.8171.560.3-86.8000109.8K205 V218 D534 L536 L542 I578 I593 I597 N615K205-Y595 PolarHBondContact NZ-OH 3.5Å; V218-Y595 HydrophobicContact CB-CD1 4.39Å; V218-Y595 HydrophobicContact CB-CD2 4.01Å; V218-Y595 HydrophobicContact CB-CE1 4.01Å; V218-Y595 HydrophobicContact CB-CE2 3.56Å; V218-Y595 HydrophobicContact CB-CG 4.4Å; V218-Y595 HydrophobicContact CG1-CE1 3.86Å; V218-Y595 HydrophobicContact CG1-CE2 3.94Å; V218-Y595 VanDerWaalsContact CG1-CZ 3.44Å; V218-Y595 WeakPolarHBondContact CG1-OH 3.45Å; V218-Y595 HydrophobicContact CG2-CD2 4.38Å; V218-Y595 HydrophobicContact CG2-CE2 3.83Å; V218-Y595 PolarHBondContact N-O 2.65Å; V218-Y595 PolarHBondContact O-N 2.9Å; D534-Y595 PolarHBondContact OD2-OH 3.16Å; L536-Y595 HydrophobicContact CD2-CE2 4.35Å; L542-Y595 HydrophobicContact CD1-CD2 3.86Å; L542-Y595 HydrophobicContact CD1-CG 4.34Å; I578-Y595 HydrophobicContact CG1-CD1 4.49Å; I578-Y595 HydrophobicContact CG1-CD2 4.49Å; I578-Y595 HydrophobicContact CG1-CE1 4.37Å; I578-Y595 HydrophobicContact CG1-CE2 4.39Å; I593-Y595 HydrophobicContact CG2-CD1 4.24Å; Y595-I597 HydrophobicContact CD2-CG2 3.86Å; Y595-I597 HydrophobicContact CE2-CG2 3.68Å; Y595-N615 PolarHBondContact OH-ND2 3.07Å; Y595-N615 PolarHBondContact OH-OD1 2.96Å
596K98.3Very high94.7Very high60 Ų6032.1 Ų32.126%0.26118%0.178SC..EExtended strand (participates in β ladder)trans-123.7142178.9-174.7-170.6-76.9-167.40109.9E215 F216 L542 V543E215-K596 HydrophobicContact CB-CD 4.09Å; E215-K596 HydrophobicContact CB-CG 4.42Å; E215-K596 HydrophobicContact CG-CD 4.2Å; E215-K596 WeakPolarHBondContact OE2-CD 3.32Å; E215-K596 IonicContact OE2-NZ 3.11Å; E215-K596 PolarHBondContact OE2-NZ 3.2Å; F216-K596 WeakPolarHBondContact O-CA 3.15Å; F216-K596 VanDerWaalsContact O-CG 3.31Å; F216-K596 WeakPolarHBondContact O-CG 3.29Å; L542-K596 WeakPolarHBondContact CD1-O 3.18Å; V543-K596 HydrophobicContact CB-CB 4.11Å; V543-K596 HydrophobicContact CB-CD 3.9Å; V543-K596 HydrophobicContact CB-CG 4.04Å; V543-K596 HydrophobicContact CG1-CD 3.83Å; V543-K596 PolarHBondContact N-O 3.42Å
597I98.4Very high95.1Very high0 Ų035.2 Ų35.20%020%0.199CC..EExtended strand (participates in β ladder)trans-119.7157.2173.161170.5000110.7E215 F216 V218 L536 V540 E541 Y595 A614 V638E215-I597 CarbonylContact C-O 3.51Å; E215-I597 VanDerWaalsContact CA-O 3.29Å; E215-I597 WeakPolarHBondContact CA-O 3.42Å; F216-I597 HydrophobicContact CB-CG1 4Å; F216-I597 PolarHBondContact N-O 2.86Å; F216-I597 PolarHBondContact O-N 3.31Å; V218-I597 HydrophobicContact CG2-CD1 3.93Å; V218-I597 HydrophobicContact CG2-CG1 3.92Å; V218-I597 HydrophobicContact CG2-CG2 4.3Å; L536-I597 HydrophobicContact CD2-CG2 4.04Å; V540-I597 HydrophobicContact CB-CB 4.34Å; V540-I597 HydrophobicContact CB-CD1 4.28Å; V540-I597 HydrophobicContact CG1-CD1 4.05Å; V540-I597 HydrophobicContact CG2-CD1 4.33Å; E541-I597 CarbonylContact O-C 3.48Å; E541-I597 WeakPolarHBondContact O-CA 3.44Å; Y595-I597 HydrophobicContact CD2-CG2 3.86Å; Y595-I597 HydrophobicContact CE2-CG2 3.68Å; I597-A614 HydrophobicContact CD1-CB 3.52Å; I597-V638 HydrophobicContact CD1-CG2 4.48Å
598R98.1Very high95.6Very high56 Ų5637.5 Ų37.521%0.21121%0.214CC..EExtended strand (participates in β ladder)trans-123.4134.6172.2178.6176-177.7-90.7-15.3110.2D214 E215 V540 E541 V543 E602D214-R598 HydrophobicContact CB-CG 4.47Å; D214-R598 CarbonylContact O-C 3.54Å; D214-R598 VanDerWaalsContact O-CA 3.26Å; D214-R598 WeakPolarHBondContact O-CA 3.34Å; D214-R598 IonicContact OD2-CZ 3.4Å; D214-R598 VanDerWaalsContact OD2-CZ 3.24Å; D214-R598 IonicContact OD2-NE 2.77Å; D214-R598 PolarHBondContact OD2-NE 3.42Å; D214-R598 IonicContact OD2-NH2 3.05Å; D214-R598 PolarHBondContact OD2-NH2 3.07Å; E215-R598 HydrophobicContact CG-CB 4.17Å; E215-R598 HydrophobicContact CG-CG 4.33Å; V540-R598 CarbonylContact C-O 3.59Å; V540-R598 WeakPolarHBondContact CA-O 3.4Å; V540-R598 WeakPolarHBondContact CB-O 3.48Å; E541-R598 HydrophobicContact CG-CB 3.91Å; E541-R598 PolarHBondContact N-O 2.78Å; E541-R598 PolarHBondContact O-N 2.83Å; E541-R598 WeakPolarHBondContact OE1-CD 3.45Å; E541-R598 IonicContact OE1-CZ 2.85Å; E541-R598 IonicContact OE1-NH1 3.87Å; E541-R598 PolarHBondContact OE1-NH1 2.99Å; V543-R598 HydrophobicContact CG2-CB 3.55Å; R598-E602 IonicContact CZ-OE1 2.8Å; R598-E602 IonicContact NH1-OE1 3.82Å; R598-E602 PolarHBondContact NH1-OE1 2.93Å; R598-E602 IonicContact NH2-OE1 2.73Å; R598-E602 PolarHBondContact NH2-OE1 3.5Å; R598-E602 IonicContact NH2-OE2 2.7Å
599L98.2Very high95.9Very high0 Ų036.5 Ų36.50%021%0.21CC..EExtended strand (participates in β ladder)trans-78.9133.3173.5-162.564.8000109.3D214 F216 M539 V540 T601 F606 Y612 V638 A640D214-L599 PolarHBondContact O-N 3.04Å; F216-L599 HydrophobicContact CE2-CB 4.34Å; M539-L599 HydrophobicContact CB-CD1 4.15Å; M539-L599 WeakPolarHBondContact O-CD1 3.46Å; V540-L599 HydrophobicContact CG1-CD1 3.67Å; L599-T601 PolarHBondContact O-N 2.84Å; L599-F606 HydrophobicContact CD2-CD2 4.36Å; L599-F606 HydrophobicContact CD2-CE2 3.43Å; L599-F606 VanDerWaalsContact CD2-CE2 3.43Å; L599-F606 HydrophobicContact CD2-CZ 4.04Å; L599-F606 HydrophobicContact CG-CD2 4.36Å; L599-F606 HydrophobicContact CG-CE2 3.88Å; L599-Y612 HydrophobicContact CD1-CD2 3.91Å; L599-Y612 HydrophobicContact CD1-CG 4.02Å; L599-Y612 HydrophobicContact CD2-CD2 4.16Å; L599-V638 HydrophobicContact CD1-CG2 4.21Å; L599-A640 HydrophobicContact CD2-CB 3.72Å
600K97Very high96.1Very high55 Ų5536.8 Ų36.824%0.23921%0.212CC..  trans-77.668.4-177.7-61.6170.7-173.6165.20110.9D538 M539 V540 E602 A603D538-K600 PolarHBondContact O-NZ 2.83Å; M539-K600 HydrophobicContact CE-CB 4.37Å; M539-K600 WeakPolarHBondContact O-CB 3.4Å; M539-K600 WeakPolarHBondContact O-CG 3.46Å; M539-K600 PolarHBondContact O-N 2.68Å; V540-K600 VanDerWaalsContact O-CE 3.27Å; V540-K600 WeakPolarHBondContact O-CE 3.49Å; V540-K600 PolarHBondContact O-NZ 3.27Å; K600-E602 PolarHBondContact O-N 3.18Å; K600-E602 VanDerWaalsContact O-N 3.09Å; K600-A603 HydrophobicContact CB-CB 4.13Å; K600-A603 WeakPolarHBondContact O-CB 3.21Å; K600-A603 PolarHBondContact O-N 3.25Å; K600-A603 VanDerWaalsContact O-N 3.08Å
601T94.6Very high96.1Very high18 Ų1837.8 Ų37.811%0.1122%0.216CC..THydrogen-bonded Turntrans-62.3-17.1-174.1440000114.6D214 L599 F606 A640 N642D214-T601 HydrophobicContact CB-CG2 4.11Å; L599-T601 PolarHBondContact O-N 2.84Å; T601-F606 HydrophobicContact CG2-CD1 4.46Å; T601-F606 HydrophobicContact CG2-CE1 3.94Å; T601-F606 HydrophobicContact CG2-CE2 4.36Å; T601-F606 HydrophobicContact CG2-CZ 3.89Å; T601-F606 WeakPolarHBondContact O-CD1 3.27Å; T601-A640 HydrophobicContact CG2-CB 3.85Å; T601-N642 PolarHBondContact O-ND2 2.94Å
602E91.5Very high96.2Very high93 Ų9339.2 Ų39.244%0.43522%0.222SC..THydrogen-bonded Turntrans-100.7-0.9-179.436.5-71.7148.600113.4R598 K600R598-E602 IonicContact CZ-OE1 2.8Å; R598-E602 IonicContact NH1-OE1 3.82Å; R598-E602 PolarHBondContact NH1-OE1 2.93Å; R598-E602 IonicContact NH2-OE1 2.73Å; R598-E602 PolarHBondContact NH2-OE1 3.5Å; R598-E602 IonicContact NH2-OE2 2.7Å; K600-E602 PolarHBondContact O-N 3.18Å; K600-E602 VanDerWaalsContact O-N 3.09Å
603A92.6Very high96.2Very high34 Ų3440.2 Ų40.228%0.28123%0.229SC..SBendtrans-70.6139.1170.500000110.1M539 K600 S605 F606M539-A603 HydrophobicContact CE-CB 3.89Å; K600-A603 HydrophobicContact CB-CB 4.13Å; K600-A603 WeakPolarHBondContact O-CB 3.21Å; K600-A603 PolarHBondContact O-N 3.25Å; K600-A603 VanDerWaalsContact O-N 3.08Å; A603-S605 PolarHBondContact O-N 2.89Å; A603-S605 VanDerWaalsContact O-N 3.11Å; A603-F606 WeakPolarHBondContact O-CB 3.49Å; A603-F606 PolarHBondContact O-N 2.81Å
604S90.6Very high96.2Very high135 Ų13540.1 Ų40.194%0.94423%0.229SC*.THydrogen-bonded Turntrans-63-19.7179.657.60000113.9F606S604-F606 VanDerWaalsContact C-N 3.33Å
605S93Very high96.2Very high75 Ų7537.8 Ų37.852%0.52422%0.216SC..THydrogen-bonded Turntrans-86-2.117554.80000113.7M539 A603M539-S605 PolarHBondContact SD-OG 2.9Å; M539-S605 VanDerWaalsContact SD-OG 3.35Å; A603-S605 PolarHBondContact O-N 2.89Å; A603-S605 VanDerWaalsContact O-N 3.11Å
606F95.3Very high96.2Very high20 Ų2038.5 Ų38.59%0.08823%0.227CC..  trans-77.7131.1177-179.4-107.3000111.1M539 L599 T601 A603 S604 Y612 A640 N642M539-F606 HydrophobicContact CE-CB 3.6Å; M539-F606 HydrophobicContact CE-CD2 4.03Å; M539-F606 HydrophobicContact CE-CG 4.31Å; L599-F606 HydrophobicContact CD2-CD2 4.36Å; L599-F606 HydrophobicContact CD2-CE2 3.43Å; L599-F606 VanDerWaalsContact CD2-CE2 3.43Å; L599-F606 HydrophobicContact CD2-CZ 4.04Å; L599-F606 HydrophobicContact CG-CD2 4.36Å; L599-F606 HydrophobicContact CG-CE2 3.88Å; T601-F606 HydrophobicContact CG2-CD1 4.46Å; T601-F606 HydrophobicContact CG2-CE1 3.94Å; T601-F606 HydrophobicContact CG2-CE2 4.36Å; T601-F606 HydrophobicContact CG2-CZ 3.89Å; T601-F606 WeakPolarHBondContact O-CD1 3.27Å; A603-F606 WeakPolarHBondContact O-CB 3.49Å; A603-F606 PolarHBondContact O-N 2.81Å; S604-F606 VanDerWaalsContact C-N 3.33Å; F606-Y612 HydrophobicContact CD2-CD2 4.39Å; F606-Y612 AromaticContact CD2-CE2 3.61Å; F606-Y612 HydrophobicContact CD2-CE2 3.61Å; F606-Y612 AromaticContact CD2-CZ 3.98Å; F606-Y612 HydrophobicContact CE2-CD2 4.1Å; F606-Y612 AromaticContact CE2-CE2 3.51Å; F606-Y612 HydrophobicContact CE2-CE2 3.51Å; F606-A640 HydrophobicContact CZ-CB 4.19Å; F606-N642 WeakPolarHBondContact CE1-OD1 3.35Å
607T94.7Very high96.2Very high81 Ų8141.1 Ų41.150%0.49724%0.239SC..  trans-114.2117.9174.8-56.40000108.3G609 S610 Y612T607-G609 PolarHBondContact O-N 3.28Å; T607-S610 WeakPolarHBondContact CB-OG 3.23Å; T607-S610 VanDerWaalsContact CG2-OG 3.29Å; T607-S610 WeakPolarHBondContact CG2-OG 3.45Å; T607-S610 WeakPolarHBondContact O-CB 3.42Å; T607-S610 PolarHBondContact O-N 3.32Å; T607-S610 VanDerWaalsContact O-N 3.17Å; T607-Y612 PolarHBondContact N-OH 2.97Å
608S94Very high96.2Very high50 Ų5041.1 Ų41.135%0.3524%0.239SC..THydrogen-bonded Turntrans-55130.3178.9-1710000111.1S610 F641 N642S608-S610 VanDerWaalsContact C-N 3.26Å; S608-S610 PolarHBondContact O-N 3.05Å; S608-F641 WeakPolarHBondContact OG-CA 3.14Å; S608-N642 PolarHBondContact OG-N 3.09Å
609G95.5Very high96.2Very high3 Ų339.1 Ų39.13%0.03123%0.233CC..THydrogen-bonded Turntrans77.7-2178.400000115.9N140 T607 A640N140-G609 PolarHBondContact ND2-O 3.35Å; T607-G609 PolarHBondContact O-N 3.28Å; G609-A640 PolarHBondContact N-O 2.81Å
610S97.7Very high96.1Very high11 Ų1139.1 Ų39.18%0.07723%0.233CC..  trans-80.7146.9174.9-64.10000112.5N140 T607 S608 Y612 R639N140-S610 CarbonylContact O-C 3.4Å; N140-S610 VanDerWaalsContact O-CA 3.27Å; N140-S610 WeakPolarHBondContact O-CA 3.04Å; N140-S610 PolarHBondContact OD1-OG 3.04Å; T607-S610 WeakPolarHBondContact CB-OG 3.23Å; T607-S610 VanDerWaalsContact CG2-OG 3.29Å; T607-S610 WeakPolarHBondContact CG2-OG 3.45Å; T607-S610 WeakPolarHBondContact O-CB 3.42Å; T607-S610 PolarHBondContact O-N 3.32Å; T607-S610 VanDerWaalsContact O-N 3.17Å; S608-S610 VanDerWaalsContact C-N 3.26Å; S608-S610 PolarHBondContact O-N 3.05Å; S610-Y612 WeakPolarHBondContact O-CD2 3.32Å; S610-Y612 WeakPolarHBondContact O-CE2 3.39Å; S610-R639 WeakPolarHBondContact O-CB 3.45Å
611W98.5Very high96Very high20 Ų2038.1 Ų38.18%0.07623%0.229CC..BIsolated β-bridgetrans-80.6128.7177.2-67.1108.4000112.5N140 G141 K142 Y143 T154 N155 I157 R639N140-W611 PolarHBondContact O-N 3.28Å; G141-W611 CarbonylContact C-O 3.45Å; G141-W611 WeakPolarHBondContact CA-O 2.96Å; K142-W611 PolarHBondContact N-O 3.36Å; Y143-W611 HydrophobicContact CD1-CB 4.09Å; Y143-W611 AromaticContact CD1-CD1 3.71Å; Y143-W611 AromaticContact CD1-CG 3.97Å; Y143-W611 HydrophobicContact CD1-CG 3.97Å; Y143-W611 HydrophobicContact CG-CG 4.4Å; T154-W611 WeakPolarHBondContact O-CH2 3.35Å; N155-W611 WeakPolarHBondContact O-CZ3 3.27Å; I157-W611 HydrophobicContact CB-CH2 4.42Å; I157-W611 HydrophobicContact CB-CZ3 4.24Å; I157-W611 HydrophobicContact CD1-CD2 3.92Å; I157-W611 VanDerWaalsContact CD1-CE2 3.43Å; I157-W611 HydrophobicContact CD1-CE3 4.22Å; I157-W611 HydrophobicContact CD1-CH2 3.71Å; I157-W611 HydrophobicContact CD1-CZ2 3.33Å; I157-W611 HydrophobicContact CD1-CZ3 4.12Å; I157-W611 HydrophobicContact CG1-CD2 4.49Å; I157-W611 HydrophobicContact CG1-CE3 4.3Å; I157-W611 HydrophobicContact CG1-CH2 3.51Å; I157-W611 HydrophobicContact CG1-CZ2 3.71Å; I157-W611 HydrophobicContact CG1-CZ3 3.81Å; W611-R639 HydrophobicContact CD2-CB 4.23Å; W611-R639 HydrophobicContact CD2-CG 4.27Å; W611-R639 HydrophobicContact CE3-CB 3.87Å; W611-R639 HydrophobicContact CE3-CG 3.89Å; W611-R639 HydrophobicContact CH2-CG 3.77Å; W611-R639 HydrophobicContact CZ2-CG 4.16Å; W611-R639 VanDerWaalsContact CZ2-NE 3.35Å; W611-R639 HydrophobicContact CZ3-CB 4.1Å; W611-R639 HydrophobicContact CZ3-CG 3.64Å
612Y98.6Very high95.9Very high32 Ų3237.2 Ų37.213%0.12522%0.223CC..EExtended strand (participates in β ladder)trans-120.6131.2175.5-64.7-81000110.1M539 L599 F606 T607 S610 A614 S637 V638M539-Y612 HydrophobicContact CB-CD1 3.62Å; M539-Y612 HydrophobicContact CB-CE1 4.1Å; M539-Y612 HydrophobicContact CB-CG 3.96Å; M539-Y612 HydrophobicContact CG-CD1 3.48Å; M539-Y612 VanDerWaalsContact CG-CD1 3.48Å; M539-Y612 HydrophobicContact CG-CE1 3.53Å; M539-Y612 HydrophobicContact CG-CG 4.31Å; L599-Y612 HydrophobicContact CD1-CD2 3.91Å; L599-Y612 HydrophobicContact CD1-CG 4.02Å; L599-Y612 HydrophobicContact CD2-CD2 4.16Å; F606-Y612 HydrophobicContact CD2-CD2 4.39Å; F606-Y612 AromaticContact CD2-CE2 3.61Å; F606-Y612 HydrophobicContact CD2-CE2 3.61Å; F606-Y612 AromaticContact CD2-CZ 3.98Å; F606-Y612 HydrophobicContact CE2-CD2 4.1Å; F606-Y612 AromaticContact CE2-CE2 3.51Å; F606-Y612 HydrophobicContact CE2-CE2 3.51Å; T607-Y612 PolarHBondContact N-OH 2.97Å; S610-Y612 WeakPolarHBondContact O-CD2 3.32Å; S610-Y612 WeakPolarHBondContact O-CE2 3.39Å; Y612-A614 PolarHBondContact O-N 3.08Å; Y612-S637 CarbonylContact O-C 3.55Å; Y612-S637 VanDerWaalsContact O-CA 3.22Å; Y612-S637 WeakPolarHBondContact O-CA 3.35Å; Y612-S637 WeakPolarHBondContact O-CB 3.31Å; Y612-V638 PolarHBondContact N-O 2.98Å; Y612-V638 PolarHBondContact O-N 3.49Å
613P98.5Very high95.7Very high33 Ų3333.4 Ų33.421%0.21421%0.206CC..EExtended strand (participates in β ladder)trans-56.1131.1170.4-24.134.5000110.7K142 N615 S637K142-P613 HydrophobicContact CB-CG 4.11Å; K142-P613 HydrophobicContact CD-CG 4.07Å; K142-P613 HydrophobicContact CG-CG 4.17Å; P613-N615 VanDerWaalsContact CB-O 3.29Å; P613-N615 WeakPolarHBondContact CB-O 3.21Å; P613-N615 PolarHBondContact O-N 3.33Å; P613-S637 WeakPolarHBondContact CA-OG 3.3Å
614A98.4Very high95.4Very high0 Ų032.3 Ų32.30%020%0.196CC..SBendtrans-62.7-30.3173.900000111.3G537 V540 I597 Y612 P636G537-A614 PolarHBondContact N-O 3.09Å; G537-A614 VanDerWaalsContact N-O 3.11Å; V540-A614 WeakPolarHBondContact CG2-O 3.31Å; I597-A614 HydrophobicContact CD1-CB 3.52Å; Y612-A614 PolarHBondContact O-N 3.08Å; A614-P636 HydrophobicContact CB-CG 3.88Å; A614-P636 WeakPolarHBondContact CB-O 3.33Å; A614-P636 PolarHBondContact N-O 3.38Å
615N98.4Very high95Very high4 Ų426.8 Ų26.82%0.02116%0.155CC..BIsolated β-bridgetrans-142.4165.1-175.9-60.892000110.5K205 D534 P535 G537 Y595 P613 V635K205-N615 WeakPolarHBondContact CE-OD1 3.44Å; K205-N615 VanDerWaalsContact NZ-CB 3.33Å; K205-N615 PolarHBondContact NZ-ND2 2.78Å; K205-N615 PolarHBondContact NZ-OD1 2.87Å; K205-N615 VanDerWaalsContact NZ-OD1 3.08Å; D534-N615 VanDerWaalsContact OD1-CB 3.29Å; D534-N615 WeakPolarHBondContact OD1-CB 3.16Å; D534-N615 PolarHBondContact OD1-ND2 2.79Å; P535-N615 CarbonylContact O-C 3.57Å; P535-N615 VanDerWaalsContact O-CA 3.24Å; P535-N615 WeakPolarHBondContact O-CA 3.39Å; P535-N615 WeakPolarHBondContact O-CB 3.48Å; P535-N615 PolarHBondContact O-ND2 3.13Å; G537-N615 VanDerWaalsContact N-CA 3.32Å; Y595-N615 PolarHBondContact OH-ND2 3.07Å; Y595-N615 PolarHBondContact OH-OD1 2.96Å; P613-N615 VanDerWaalsContact CB-O 3.29Å; P613-N615 WeakPolarHBondContact CB-O 3.21Å; P613-N615 PolarHBondContact O-N 3.33Å; N615-V635 HydrophobicContact CB-CG1 3.74Å; N615-V635 WeakPolarHBondContact O-CG1 3.43Å
616G97.8Very high94.2Very high28 Ų2823.8 Ų23.829%0.28913%0.133SC..SBendtrans-78.7-167.816000000111.4P535 T618 V635P535-G616 PolarHBondContact O-N 3.47Å; G616-T618 PolarHBondContact O-N 3.05Å; G616-T618 PolarHBondContact O-OG1 3.13Å; G616-V635 WeakPolarHBondContact O-CG2 3.43Å
617K97.8Very high93.4Very high116 Ų11623.3 Ų23.350%0.50413%0.132SC..  trans-56.2115.8178.4-174.2167.6-172.6159.80109.7E133 P535 V619 D632E133-K617 IonicContact OE1-NZ 2.85Å; E133-K617 PolarHBondContact OE1-NZ 3.37Å; P535-K617 WeakPolarHBondContact CD-O 3.33Å; P535-K617 WeakPolarHBondContact CG-O 3.47Å; K617-V619 HydrophobicContact CG-CG1 4.19Å; K617-D632 WeakPolarHBondContact CE-OD1 3.04Å; K617-D632 WeakPolarHBondContact CE-OD2 3.41Å; K617-D632 IonicContact NZ-OD1 2.96Å; K617-D632 IonicContact NZ-OD2 2.8Å; K617-D632 PolarHBondContact NZ-OD2 2.97Å; K617-D632 VanDerWaalsContact NZ-OD2 3.09Å
618T98.4Very high92.8Very high0 Ų024.4 Ų24.40%013%0.131CC..  trans-104.4124.9-177.8-540000108.9K205 L220 I532 E533 D534 G616 F633K205-T618 HydrophobicContact CD-CG2 4.36Å; K205-T618 PolarHBondContact NZ-OG1 2.83Å; L220-T618 HydrophobicContact CD1-CG2 3.74Å; I532-T618 HydrophobicContact CG2-CG2 4.31Å; E533-T618 WeakPolarHBondContact O-CA 3.38Å; D534-T618 HydrophobicContact CB-CG2 3.73Å; D534-T618 PolarHBondContact OD1-OG1 3.34Å; D534-T618 VanDerWaalsContact OD1-OG1 3.05Å; G616-T618 PolarHBondContact O-N 3.05Å; G616-T618 PolarHBondContact O-OG1 3.13Å; T618-F633 HydrophobicContact CG2-CB 4.07Å; T618-F633 HydrophobicContact CG2-CD2 3.67Å; T618-F633 HydrophobicContact CG2-CE2 4.26Å; T618-F633 HydrophobicContact CG2-CG 3.98Å; T618-F633 WeakPolarHBondContact O-CD2 3.49Å; T618-F633 PolarHBondContact O-N 2.71Å
619V98.1Very high92.5Very high13 Ų1322.1 Ų22.18%0.07912%0.115CC..EExtended strand (participates in β ladder)trans-129.3144.7-173.9-68.10000111.9I532 E533 K617 K630 L631 D632I532-V619 VanDerWaalsContact CA-O 3.29Å; I532-V619 WeakPolarHBondContact CA-O 3.18Å; E533-V619 HydrophobicContact CB-CG2 4.02Å; E533-V619 PolarHBondContact N-O 2.91Å; E533-V619 PolarHBondContact O-N 3.11Å; K617-V619 HydrophobicContact CG-CG1 4.19Å; V619-K630 HydrophobicContact CG1-CB 4.46Å; V619-L631 CarbonylContact C-O 3.51Å; V619-L631 WeakPolarHBondContact CA-O 3.43Å; V619-D632 VanDerWaalsContact CG1-OD1 3.26Å; V619-D632 WeakPolarHBondContact CG1-OD1 3.5Å
620L98Very high92.4Very high0 Ų027.7 Ų27.70%014%0.138CC..EExtended strand (participates in β ladder)trans-101124.2160.5172.969.2000108.7I201 L203 V222 V527 I532 I583 L631 F633I201-L620 HydrophobicContact CG2-CD2 4Å; L203-L620 HydrophobicContact CD1-CB 4.09Å; L203-L620 HydrophobicContact CD2-CB 4.31Å; L203-L620 HydrophobicContact CD2-CD2 3.61Å; V222-L620 HydrophobicContact CG1-CD2 3.71Å; V222-L620 HydrophobicContact CG2-CD2 4.5Å; V527-L620 HydrophobicContact CG1-CD1 4.38Å; V527-L620 HydrophobicContact CG2-CD2 4.3Å; I532-L620 HydrophobicContact CG1-CD1 3.95Å; I583-L620 HydrophobicContact CD1-CD1 3.98Å; L620-L631 HydrophobicContact CB-CB 4.46Å; L620-L631 PolarHBondContact N-O 2.92Å; L620-L631 PolarHBondContact O-N 3.31Å; L620-F633 HydrophobicContact CB-CE2 3.76Å; L620-F633 HydrophobicContact CB-CZ 4.21Å
621H94.7Very high92.2Very high34 Ų3427.2 Ų27.216%0.15714%0.135CC..EExtended strand (participates in β ladder)trans-88.4104.9158.3-61.4-111.8000107.7G530 V531 P624 K630G530-H621 CarbonylContact C-O 3.59Å; G530-H621 WeakPolarHBondContact CA-O 3.47Å; V531-H621 HydrophobicContact CB-CB 4.39Å; V531-H621 PolarHBondContact N-O 3.09Å; V531-H621 PolarHBondContact O-N 3.11Å; H621-P624 HydrophobicContact CB-CB 4.08Å; H621-K630 WeakPolarHBondContact CE1-CE 3.27Å
622S91.5Very high92.2Very high0 Ų026.4 Ų26.40%013%0.132CC..SBendtrans-74.9-43.8-167.753.30000113.5V527 E528V527-S622 CarbonylContact C-O 3.58Å; V527-S622 WeakPolarHBondContact CA-O 3.45Å; V527-S622 VanDerWaalsContact CG1-O 3.27Å; V527-S622 WeakPolarHBondContact CG1-O 3.24Å; E528-S622 PolarHBondContact N-O 2.92Å
623M87.4Confident92.2Very high13 Ų1325 Ų256%0.06413%0.127CC..  trans-13770.5177.7-60.8-174-168.300109.4M525 T526 E528 N625 R626 T627M525-M623 WeakPolarHBondContact O-CE 3.31Å; T526-M623 VanDerWaalsContact C-CE 3.42Å; T526-M623 WeakPolarHBondContact O-CE 3.42Å; E528-M623 HydrophobicContact CB-CG 4.16Å; M623-N625 PolarHBondContact O-N 2.92Å; M623-R626 HydrophobicContact CB-CB 4.01Å; M623-R626 PolarHBondContact O-N 3.05Å; M623-T627 PolarHBondContact O-N 3.32Å
624P87.4Confident92.1Very high11 Ų1123.6 Ų23.67%0.07112%0.118CC..THydrogen-bonded Turntrans-63.8-24.3-168.133.1-40.3000111.4N492 E528 Q529 V531 H621 R626N492-P624 VanDerWaalsContact CG-C 3.47Å; N492-P624 VanDerWaalsContact ND2-CB 3.29Å; N492-P624 WeakPolarHBondContact ND2-CB 3.26Å; N492-P624 PolarHBondContact ND2-O 3.42Å; N492-P624 PolarHBondContact OD1-O 3.28Å; E528-P624 WeakPolarHBondContact O-CD 3.47Å; Q529-P624 WeakPolarHBondContact O-CD 3.14Å; Q529-P624 VanDerWaalsContact O-CG 3.26Å; Q529-P624 WeakPolarHBondContact O-CG 3.09Å; V531-P624 HydrophobicContact CG2-CG 4.41Å; H621-P624 HydrophobicContact CB-CB 4.08Å; P624-R626 VanDerWaalsContact C-N 3.27Å; P624-R626 PolarHBondContact O-N 3.12Å
625N81Confident92.1Very high18 Ų1823.9 Ų23.910%0.09612%0.12CC..THydrogen-bonded Turntrans-79-0.7173.5-64.9-19.2000115R490 A491 N492 Y502 Q529 M623R490-N625 CarbonylContact C-O 3.5Å; R490-N625 WeakPolarHBondContact CA-O 3.29Å; R490-N625 HydrophobicContact CB-CB 4.29Å; A491-N625 PolarHBondContact N-O 3.44Å; N492-N625 PolarHBondContact ND2-N 3.04Å; N492-N625 PolarHBondContact ND2-OD1 2.97Å; Y502-N625 PolarHBondContact OH-O 2.95Å; Q529-N625 VanDerWaalsContact CD-ND2 3.34Å; Q529-N625 PolarHBondContact OE1-ND2 2.97Å; M623-N625 PolarHBondContact O-N 2.92Å
626R76.7Confident92.1Very high12 Ų1223.7 Ų23.75%0.04512%0.119CC..THydrogen-bonded Turntrans-128-46.4-178-64.4179.7156.2170.2-5.7112.2R345 E458 Y502 S522 E528 M623 P624R345-R626 VanDerWaalsContact NH2-CD 3.35Å; E458-R626 IonicContact OE1-CZ 2.61Å; E458-R626 IonicContact OE1-NE 2.91Å; E458-R626 PolarHBondContact OE1-NE 3.02Å; E458-R626 IonicContact OE1-NH2 3.88Å; E458-R626 PolarHBondContact OE1-NH2 3.19Å; E458-R626 IonicContact OE2-CZ 2.7Å; E458-R626 IonicContact OE2-NE 2.84Å; E458-R626 IonicContact OE2-NH2 2.86Å; Y502-R626 HydrophobicContact CE2-CG 4.29Å; Y502-R626 WeakPolarHBondContact OH-CG 3.38Å; Y502-R626 PolarHBondContact OH-NE 2.91Å; Y502-R626 VanDerWaalsContact OH-NE 3.14Å; S522-R626 VanDerWaalsContact CB-NH2 3.28Å; S522-R626 PolarHBondContact O-NH1 2.88Å; S522-R626 PolarHBondContact O-NH2 3.26Å; S522-R626 PolarHBondContact OG-NH2 3.24Å; E528-R626 WeakPolarHBondContact OE2-CD 3.3Å; E528-R626 IonicContact OE2-CZ 2.74Å; E528-R626 IonicContact OE2-NE 3.74Å; E528-R626 PolarHBondContact OE2-NE 3.49Å; E528-R626 IonicContact OE2-NH1 2.74Å; E528-R626 PolarHBondContact OE2-NH1 2.92Å; E528-R626 IonicContact OE2-NH2 3.32Å; M623-R626 HydrophobicContact CB-CB 4.01Å; M623-R626 PolarHBondContact O-N 3.05Å; P624-R626 VanDerWaalsContact C-N 3.27Å; P624-R626 PolarHBondContact O-N 3.12Å
627T78.2Confident92.2Very high11 Ų1122.3 Ų22.37%0.06711%0.105CC..  trans-124.9160-173.880.20000111.6M623 D629M623-T627 PolarHBondContact O-N 3.32Å; T627-D629 VanDerWaalsContact C-N 3.28Å; T627-D629 VanDerWaalsContact CB-OD2 3.24Å; T627-D629 WeakPolarHBondContact CB-OD2 3.26Å; T627-D629 WeakPolarHBondContact OG1-CB 3.41Å; T627-D629 PolarHBondContact OG1-N 3.44Å; T627-D629 PolarHBondContact OG1-OD2 2.9Å
628E83.1Confident92.2Very high103 Ų10316.8 Ų16.848%0.4818%0.081SC..  trans-91.511.5171.5-64-174.9174.600112R125 K630R125-E628 IonicContact CZ-OE1 2.69Å; R125-E628 IonicContact NH1-OE1 4Å; R125-E628 PolarHBondContact NH1-OE1 2.85Å; R125-E628 IonicContact NH2-OE1 3.96Å; R125-E628 PolarHBondContact NH2-OE1 3.48Å; E628-K630 PolarHBondContact O-N 3.01Å
629D86.5Confident92.2Very high3 Ų319.2 Ų19.22%0.0169%0.09CC..  trans-58.5124.9-176.4-70.4-54.7000111.1N127 S128 Y129 T627 L631N127-D629 WeakPolarHBondContact CA-OD1 3.29Å; N127-D629 WeakPolarHBondContact CB-OD1 3.19Å; N127-D629 VanDerWaalsContact CG-OD1 3.3Å; S128-D629 PolarHBondContact N-OD1 3.03Å; S128-D629 VanDerWaalsContact N-OD1 3.14Å; S128-D629 PolarHBondContact N-OD2 3.04Å; Y129-D629 HydrophobicContact CD2-CB 4.42Å; Y129-D629 PolarHBondContact N-OD1 3.37Å; T627-D629 VanDerWaalsContact C-N 3.28Å; T627-D629 VanDerWaalsContact CB-OD2 3.24Å; T627-D629 WeakPolarHBondContact CB-OD2 3.26Å; T627-D629 WeakPolarHBondContact OG1-CB 3.41Å; T627-D629 PolarHBondContact OG1-N 3.44Å; T627-D629 PolarHBondContact OG1-OD2 2.9Å; D629-L631 HydrophobicContact CB-CD2 4.37Å
630K93Very high92.1Very high119 Ų11918.8 Ų18.852%0.5179%0.088SC..EExtended strand (participates in β ladder)trans-120.3112.3168.9-56.2-168.4-168.1-166.10108.2N131 V619 H621 E628N131-K630 VanDerWaalsContact CG-O 3.31Å; N131-K630 PolarHBondContact OD1-O 2.83Å; V619-K630 HydrophobicContact CG1-CB 4.46Å; H621-K630 WeakPolarHBondContact CE1-CE 3.27Å; E628-K630 PolarHBondContact O-N 3.01Å
631L95.2Very high91.9Very high1 Ų123.8 Ų23.81%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-102.5119.7-174.5-52.6-176.2000109.5Y129 Y191 I201 L203 V619 L620 D629Y129-L631 HydrophobicContact CD2-CD1 4.23Å; Y129-L631 HydrophobicContact CD2-CD2 4.34Å; Y129-L631 HydrophobicContact CG-CD2 4.28Å; Y191-L631 HydrophobicContact CD1-CD1 4.37Å; Y191-L631 HydrophobicContact CD1-CD2 3.78Å; Y191-L631 HydrophobicContact CD1-CG 4.47Å; Y191-L631 HydrophobicContact CD2-CB 4.37Å; Y191-L631 HydrophobicContact CD2-CD1 4.06Å; Y191-L631 HydrophobicContact CE1-CB 4.25Å; Y191-L631 HydrophobicContact CE1-CD2 3.87Å; Y191-L631 HydrophobicContact CE2-CB 3.98Å; Y191-L631 HydrophobicContact CG-CD1 3.97Å; Y191-L631 HydrophobicContact CG-CD2 4.23Å; I201-L631 HydrophobicContact CB-CD1 4.47Å; I201-L631 HydrophobicContact CD1-CD1 3.74Å; I201-L631 HydrophobicContact CG2-CD1 4.26Å; L203-L631 HydrophobicContact CD1-CB 3.6Å; V619-L631 CarbonylContact C-O 3.51Å; V619-L631 WeakPolarHBondContact CA-O 3.43Å; L620-L631 HydrophobicContact CB-CB 4.46Å; L620-L631 PolarHBondContact N-O 2.92Å; L620-L631 PolarHBondContact O-N 3.31Å; D629-L631 HydrophobicContact CB-CD2 4.37Å
632D97.3Very high91.4Very high4 Ų425.5 Ų25.52%0.02112%0.12CC..EExtended strand (participates in β ladder)trans-77.2140.6-175.9-79.7-43.9000112.5N131 P134 Y191 K617 V619N131-D632 PolarHBondContact ND2-OD2 3.01Å; N131-D632 PolarHBondContact OD1-N 3.38Å; P134-D632 HydrophobicContact CG-CB 4.32Å; Y191-D632 PolarHBondContact OH-N 2.7Å; Y191-D632 PolarHBondContact OH-O 3.41Å; K617-D632 WeakPolarHBondContact CE-OD1 3.04Å; K617-D632 WeakPolarHBondContact CE-OD2 3.41Å; K617-D632 IonicContact NZ-OD1 2.96Å; K617-D632 IonicContact NZ-OD2 2.8Å; K617-D632 PolarHBondContact NZ-OD2 2.97Å; K617-D632 VanDerWaalsContact NZ-OD2 3.09Å; V619-D632 VanDerWaalsContact CG1-OD1 3.26Å; V619-D632 WeakPolarHBondContact CG1-OD1 3.5Å
633F98.2Very high90.7Very high2 Ų232.2 Ų32.21%0.00915%0.152CC..PPolyproline II helixtrans-93.5147.2164.7-67-104.9000110.5P134 L203 K205 L220 V222 I532 T618 L620 V635P134-F633 WeakPolarHBondContact CG-O 3.35Å; L203-F633 HydrophobicContact CB-CD1 3.8Å; L203-F633 HydrophobicContact CB-CE1 3.67Å; L203-F633 HydrophobicContact CB-CG 4.36Å; L203-F633 HydrophobicContact CB-CZ 4.17Å; L203-F633 HydrophobicContact CD1-CD2 4.13Å; L203-F633 HydrophobicContact CD1-CE1 4.34Å; L203-F633 HydrophobicContact CD1-CE2 3.93Å; L203-F633 HydrophobicContact CD1-CG 4.46Å; L203-F633 HydrophobicContact CD1-CZ 4.03Å; L203-F633 HydrophobicContact CD2-CE1 4.03Å; L203-F633 HydrophobicContact CD2-CE2 4.44Å; L203-F633 HydrophobicContact CD2-CZ 3.79Å; L203-F633 HydrophobicContact CG-CE1 4.22Å; L203-F633 HydrophobicContact CG-CZ 4.22Å; K205-F633 HydrophobicContact CB-CB 4.23Å; K205-F633 HydrophobicContact CB-CD1 4.07Å; K205-F633 HydrophobicContact CD-CB 4.49Å; L220-F633 HydrophobicContact CD1-CD1 3.78Å; L220-F633 HydrophobicContact CD1-CD2 4.42Å; L220-F633 HydrophobicContact CD1-CE1 3.66Å; L220-F633 HydrophobicContact CD1-CE2 4.27Å; L220-F633 HydrophobicContact CD1-CG 4.16Å; L220-F633 HydrophobicContact CD1-CZ 3.91Å; L220-F633 HydrophobicContact CD2-CD1 4.41Å; L220-F633 HydrophobicContact CD2-CE1 3.52Å; L220-F633 HydrophobicContact CD2-CZ 3.65Å; L220-F633 HydrophobicContact CG-CD1 3.84Å; L220-F633 HydrophobicContact CG-CE1 3.42Å; L220-F633 VanDerWaalsContact CG-CE1 3.42Å; L220-F633 HydrophobicContact CG-CZ 3.95Å; V222-F633 HydrophobicContact CG2-CE1 4.17Å; V222-F633 HydrophobicContact CG2-CZ 3.69Å; I532-F633 HydrophobicContact CG1-CE2 4.44Å; I532-F633 HydrophobicContact CG1-CZ 4.34Å; T618-F633 HydrophobicContact CG2-CB 4.07Å; T618-F633 HydrophobicContact CG2-CD2 3.67Å; T618-F633 HydrophobicContact CG2-CE2 4.26Å; T618-F633 HydrophobicContact CG2-CG 3.98Å; T618-F633 WeakPolarHBondContact O-CD2 3.49Å; T618-F633 PolarHBondContact O-N 2.71Å; L620-F633 HydrophobicContact CB-CE2 3.76Å; L620-F633 HydrophobicContact CB-CZ 4.21Å; F633-V635 PolarHBondContact O-N 3.04Å
634G97.8Very high89.9Confident4 Ų439.2 Ų39.24%0.04119%0.189CC..PPolyproline II helixtrans-70.1119.616400000111.2K205K205-G634 WeakPolarHBondContact CB-O 3.16Å
635V98.4Very high89.1Confident5 Ų545.6 Ų45.63%0.0322%0.216CC..PPolyproline II helixtrans-93.3129.2-176.3178.50000110Y136 P144 N615 G616 F633Y136-V635 HydrophobicContact CE1-CB 4.28Å; Y136-V635 WeakPolarHBondContact CE1-O 3.37Å; Y136-V635 WeakPolarHBondContact OH-CA 3.32Å; Y136-V635 WeakPolarHBondContact OH-CB 3.31Å; Y136-V635 PolarHBondContact OH-N 3.38Å; P144-V635 WeakPolarHBondContact CG-O 3.42Å; N615-V635 HydrophobicContact CB-CG1 3.74Å; N615-V635 WeakPolarHBondContact O-CG1 3.43Å; G616-V635 WeakPolarHBondContact O-CG2 3.43Å; F633-V635 PolarHBondContact O-N 3.04Å
636P98.7Very high88.5Confident0 Ų050.9 Ų50.90%025%0.249CC..PPolyproline II helixtrans-76.2161.7176.931.9-34.8000111.8I157 N158 A207 A614I157-P636 CarbonylContact O-C 3.59Å; I157-P636 VanDerWaalsContact O-CA 3.29Å; I157-P636 WeakPolarHBondContact O-CA 3.42Å; I157-P636 WeakPolarHBondContact O-CB 3.28Å; N158-P636 WeakPolarHBondContact OD1-CB 3.48Å; A207-P636 HydrophobicContact CB-CB 3.95Å; A207-P636 HydrophobicContact CB-CG 3.89Å; A614-P636 HydrophobicContact CB-CG 3.88Å; A614-P636 WeakPolarHBondContact CB-O 3.33Å; A614-P636 PolarHBondContact N-O 3.38Å
637S98.8Very high88.5Confident0 Ų054.7 Ų54.70%027%0.269CS..EExtended strand (participates in β ladder)trans-122148.1169.3-69.70000110.8K142 Y143 I157 Y612 P613K142-S637 WeakPolarHBondContact O-CB 3.43Å; K142-S637 PolarHBondContact O-OG 3.37Å; Y143-S637 WeakPolarHBondContact CA-OG 3.19Å; I157-S637 PolarHBondContact N-O 3.45Å; I157-S637 PolarHBondContact O-N 2.83Å; Y612-S637 CarbonylContact O-C 3.55Å; Y612-S637 VanDerWaalsContact O-CA 3.22Å; Y612-S637 WeakPolarHBondContact O-CA 3.35Å; Y612-S637 WeakPolarHBondContact O-CB 3.31Å; P613-S637 WeakPolarHBondContact CA-OG 3.3Å
638V98.8Very high88.5Confident0 Ų059.6 Ų59.60%030%0.301CS..EExtended strand (participates in β ladder)trans-128.2159.4-178.2-58.30000109.7N155 V156 A207 F216 V540 I597 L599 Y612N155-V638 WeakPolarHBondContact O-CA 3.15Å; V156-V638 HydrophobicContact CG2-CG1 4.28Å; A207-V638 HydrophobicContact CB-CG1 4.24Å; F216-V638 HydrophobicContact CB-CG1 4.08Å; F216-V638 HydrophobicContact CD1-CB 3.98Å; F216-V638 HydrophobicContact CD1-CG1 3.72Å; F216-V638 HydrophobicContact CD2-CB 3.84Å; F216-V638 HydrophobicContact CD2-CG1 3.97Å; F216-V638 HydrophobicContact CD2-CG2 3.88Å; F216-V638 HydrophobicContact CE1-CB 3.92Å; F216-V638 HydrophobicContact CE1-CG1 4.16Å; F216-V638 HydrophobicContact CE2-CB 3.8Å; F216-V638 HydrophobicContact CE2-CG1 4.4Å; F216-V638 HydrophobicContact CE2-CG2 3.89Å; F216-V638 HydrophobicContact CG-CB 3.95Å; F216-V638 HydrophobicContact CG-CG1 3.63Å; F216-V638 HydrophobicContact CG-CG2 4.41Å; F216-V638 HydrophobicContact CZ-CB 3.85Å; F216-V638 HydrophobicContact CZ-CG1 4.5Å; F216-V638 HydrophobicContact CZ-CG2 4.41Å; V540-V638 HydrophobicContact CG1-CG2 4.44Å; I597-V638 HydrophobicContact CD1-CG2 4.48Å; L599-V638 HydrophobicContact CD1-CG2 4.21Å; Y612-V638 PolarHBondContact N-O 2.98Å; Y612-V638 PolarHBondContact O-N 3.49Å
639R97.9Very high88.3Confident50 Ų5059.8 Ų59.819%0.18931%0.309CS..  trans-143.4156.4172.266.2177.1178.5178.3-3.1110.1T154 N155 F216 S610 W611 F641T154-R639 PolarHBondContact O-NE 2.97Å; T154-R639 PolarHBondContact O-NH2 2.68Å; N155-R639 HydrophobicContact CB-CG 4.23Å; N155-R639 WeakPolarHBondContact CB-O 3.28Å; N155-R639 PolarHBondContact O-N 3.35Å; F216-R639 WeakPolarHBondContact CZ-O 3.47Å; S610-R639 WeakPolarHBondContact O-CB 3.45Å; W611-R639 HydrophobicContact CD2-CB 4.23Å; W611-R639 HydrophobicContact CD2-CG 4.27Å; W611-R639 HydrophobicContact CE3-CB 3.87Å; W611-R639 HydrophobicContact CE3-CG 3.89Å; W611-R639 HydrophobicContact CH2-CG 3.77Å; W611-R639 HydrophobicContact CZ2-CG 4.16Å; W611-R639 VanDerWaalsContact CZ2-NE 3.35Å; W611-R639 HydrophobicContact CZ3-CB 4.1Å; W611-R639 HydrophobicContact CZ3-CG 3.64Å; R639-F641 HydrophobicContact CG-CE2 4.43Å
640A96.5Very high88.1Confident4 Ų468.4 Ų68.43%0.03335%0.346CS..  trans-132164.4168.800000109.3L599 T601 F606 G609L599-A640 HydrophobicContact CD2-CB 3.72Å; T601-A640 HydrophobicContact CG2-CB 3.85Å; F606-A640 HydrophobicContact CZ-CB 4.19Å; G609-A640 PolarHBondContact N-O 2.81Å
641F93Very high87.3Confident105 Ų10567 Ų6746%0.46134%0.341SS..  trans-117.9125.9175.4-65.9-90.5000108.5N155 S608 R639N155-F641 WeakPolarHBondContact OD1-CE2 3.49Å; S608-F641 WeakPolarHBondContact OG-CA 3.14Å; R639-F641 HydrophobicContact CG-CE2 4.43Å
642N84.8Confident86.7Confident70 Ų7072.3 Ų72.337%0.37437%0.372SS..PPolyproline II helixtrans-72.5136.8164.5-72.5-6.9000107.9T601 F606 S608 D644T601-N642 PolarHBondContact O-ND2 2.94Å; F606-N642 WeakPolarHBondContact CE1-OD1 3.35Å; S608-N642 PolarHBondContact OG-N 3.09Å; N642-D644 PolarHBondContact O-N 3.28Å
643E77.1Confident85.9Confident142 Ų14276.3 Ų76.366%0.66439%0.387SS*.PPolyproline II helixtrans-70.3119.4170.6-67-177.6-17600108.1K213 F645K213-E643 IonicContact NZ-OE1 3.05Å; K213-E643 PolarHBondContact NZ-OE1 3.34Å; E643-F645 PolarHBondContact O-N 3.04Å
644D68.7Low85.1Confident159 Ų15982.5 Ų82.585%0.8543%0.431SS*.PPolyproline II helixtrans-67.1119.2169.4-73.6-23.4000107.9N642N642-D644 PolarHBondContact O-N 3.28Å
645F71.2Confident84.2Confident145 Ų14586 Ų8664%0.63645%0.449SS*.  trans-120132.316869.8-85.2000109.8E643 I647 L671E643-F645 PolarHBondContact O-N 3.04Å; F645-I647 HydrophobicContact CD2-CD1 4.09Å; F645-I647 HydrophobicContact CD2-CG1 3.81Å; F645-I647 HydrophobicContact CE2-CD1 3.63Å; F645-I647 HydrophobicContact CE2-CG1 3.85Å; F645-L671 HydrophobicContact CE2-CD2 3.81Å; F645-L671 HydrophobicContact CZ-CD2 4Å
646V69.7Low82.7Confident129 Ų12990.8 Ų90.878%0.78247%0.474SS*.  trans-98.1121.3174.7179.90000107.4P648V646-P648 WeakPolarHBondContact O-CD 3.27Å
647I75.3Confident81.6Confident92 Ų9299.9 Ų99.947%0.47252%0.516SS..  trans-96.1100.8164.6-63.3179.4000107.2F645 V649 L671F645-I647 HydrophobicContact CD2-CD1 4.09Å; F645-I647 HydrophobicContact CD2-CG1 3.81Å; F645-I647 HydrophobicContact CE2-CD1 3.63Å; F645-I647 HydrophobicContact CE2-CG1 3.85Å; I647-V649 HydrophobicContact CG2-CG2 4.22Å; I647-V649 PolarHBondContact O-N 3.14Å; I647-V649 VanDerWaalsContact O-N 3.12Å; I647-L671 HydrophobicContact CD1-CD1 3.53Å; I647-L671 HydrophobicContact CD1-CD2 4Å; I647-L671 HydrophobicContact CD1-CG 4.42Å
648P78.2Confident80.3Confident115 Ų115105.7 Ų105.775%0.74755%0.548SS*.  trans-67.6114.2174.628-32.9000108.9V646V646-P648 WeakPolarHBondContact O-CD 3.27Å
649V79.2Confident79.4Confident106 Ų106108.3 Ų108.364%0.64256%0.561SS**  trans-97.9114.7171.9-176.70000108.2I647 A669I647-V649 HydrophobicContact CG2-CG2 4.22Å; I647-V649 PolarHBondContact O-N 3.14Å; I647-V649 VanDerWaalsContact O-N 3.12Å; V649-A669 HydrophobicContact CB-CB 4.41Å; V649-A669 HydrophobicContact CG1-CB 3.9Å; V649-A669 HydrophobicContact CG2-CB 4.32Å
650K81.9Confident78.5Confident184 Ų184115.7 Ų115.780%0.859%0.589SS**  trans-107.2119.7170.9-173179.2-179.7-179.50109.3V652K650-V652 HydrophobicContact CD-CG2 4.24Å; K650-V652 HydrophobicContact CG-CG2 4.14Å
651K76.9Confident77.9Confident91 Ų91124.4 Ų124.440%0.39662%0.622SS.*  trans-88.2125.9171.4-177.7178174.1-173.80109.6W653 I667K651-W653 VanDerWaalsContact CE-NE1 3.25Å; K651-I667 HydrophobicContact CD-CB 4.23Å; K651-I667 HydrophobicContact CD-CD1 4.17Å
652V81.4Confident77.2Confident111 Ų111128 Ų12867%0.67364%0.637SS**  trans-123.1125.7174.7-176.90000108K650K650-V652 HydrophobicContact CD-CG2 4.24Å; K650-V652 HydrophobicContact CG-CG2 4.14Å
653W81.6Confident76.9Confident89 Ų89132.1 Ų132.134%0.33766%0.656SS.*  trans-89.5133.9169.9-65.297.7000108.9K651 D655 D656 R664 I667K651-W653 VanDerWaalsContact CE-NE1 3.25Å; W653-D655 PolarHBondContact O-N 3.1Å; W653-D656 PolarHBondContact O-N 2.89Å; W653-R664 VanDerWaalsContact CB-CZ 3.4Å; W653-R664 VanDerWaalsContact CB-NH2 3.29Å; W653-R664 VanDerWaalsContact CD1-CZ 3.42Å; W653-R664 VanDerWaalsContact CE2-CD 3.4Å; W653-R664 HydrophobicContact CH2-CG 4.29Å; W653-R664 HydrophobicContact CZ2-CB 3.92Å; W653-R664 HydrophobicContact CZ2-CG 3.77Å; W653-I667 HydrophobicContact CH2-CD1 4.36Å; W653-I667 HydrophobicContact CZ2-CD1 4.45Å
654S80.4Confident76.9Confident132 Ų132128 Ų12892%0.92363%0.634SS**THydrogen-bonded Turntrans-63.5-20.4178.251.80000113.3
655D78.9Confident77.4Confident77 Ų77130.9 Ų130.941%0.41263%0.633SS.*THydrogen-bonded Turntrans-119.937.5-177.970-19.9000112.1W653 E657 N658 R664W653-D655 PolarHBondContact O-N 3.1Å; D655-E657 PolarHBondContact O-N 3.12Å; D655-N658 HydrophobicContact CB-CB 4.4Å; D655-N658 PolarHBondContact O-N 3.45Å; D655-R664 PolarHBondContact O-NH2 3.02Å; D655-R664 IonicContact OD1-CZ 2.98Å; D655-R664 IonicContact OD1-NH2 3.72Å; D655-R664 PolarHBondContact OD1-NH2 3.46Å
656D68.8Low77.9Confident106 Ų106132.4 Ų132.457%0.56764%0.642SS**G310 helixtrans-49.9-39.4-172-154.139.9000113.9W653 N658 N659 R664W653-D656 PolarHBondContact O-N 2.89Å; D656-N658 PolarHBondContact O-N 3.2Å; D656-N659 PolarHBondContact O-N 3.28Å; D656-R664 VanDerWaalsContact CA-NH2 3.34Å; D656-R664 IonicContact OD1-CZ 3.88Å; D656-R664 IonicContact OD1-NH1 3.71Å; D656-R664 PolarHBondContact OD1-NH1 2.83Å; D656-R664 IonicContact OD1-NH2 2.81Å
657E75.2Confident78.3Confident190 Ų190131.3 Ų131.389%0.88863%0.631SS**G310 helixtrans-62.1-22.4178.2-55.4-172.9-174.200113.9D655D655-E657 PolarHBondContact O-N 3.12Å
658N70.1Confident78.6Confident123 Ų123132 Ų13266%0.65864%0.639SS**G310 helixtrans-99.19.9-174.1-73-31.8000114.7D655 D656 R660D655-N658 HydrophobicContact CB-CB 4.4Å; D655-N658 PolarHBondContact O-N 3.45Å; D656-N658 PolarHBondContact O-N 3.2Å; N658-R660 PolarHBondContact O-N 3.45Å
659N80.2Confident78.5Confident54 Ų54129.6 Ų129.629%0.28963%0.629SS.*  trans-75.733.6174.5-16832000113.9D656 W661 K662 R664D656-N659 PolarHBondContact O-N 3.28Å; N659-W661 PolarHBondContact O-N 2.57Å; N659-K662 PolarHBondContact O-N 3.08Å; N659-K662 WeakPolarHBondContact OD1-CA 3.33Å; N659-K662 PolarHBondContact OD1-N 3.44Å; N659-R664 VanDerWaalsContact CG-CD 3.46Å; N659-R664 WeakPolarHBondContact OD1-CG 3.39Å
660R79.2Confident78.4Confident205 Ų205129.3 Ų129.377%0.77463%0.628SS**THydrogen-bonded Turntrans-51.1-35.7-177.4-177.6178.2178.3-174.1-0.3112.8N658N658-R660 PolarHBondContact O-N 3.45Å
661W83.7Confident77.9Confident188 Ų188126.2 Ų126.271%0.71262%0.619SS**THydrogen-bonded Turntrans-88-2.1-177-56.4110.4000114.4N659 M663N659-W661 PolarHBondContact O-N 2.57Å; W661-M663 HydrophobicContact CB-CE 4.17Å; W661-M663 HydrophobicContact CB-CG 3.87Å; W661-M663 WeakPolarHBondContact O-CG 3.3Å; W661-M663 PolarHBondContact O-N 3.3Å
662K78.2Confident77.6Confident180 Ų180129.3 Ų129.378%0.78364%0.635SS**  trans50.128.7-178.4-59.4-175.4178.4-178.40114.3N659 R664N659-K662 PolarHBondContact O-N 3.08Å; N659-K662 WeakPolarHBondContact OD1-CA 3.33Å; N659-K662 PolarHBondContact OD1-N 3.44Å; K662-R664 VanDerWaalsContact C-N 3.29Å; K662-R664 PolarHBondContact O-N 2.8Å
663M79.2Confident77Confident157 Ų157132.5 Ų132.577%0.77364%0.635SS**  trans-85.86.2-175.7-65.8-159.6-169.700114.2W661 R665W661-M663 HydrophobicContact CB-CE 4.17Å; W661-M663 HydrophobicContact CB-CG 3.87Å; W661-M663 WeakPolarHBondContact O-CG 3.3Å; W661-M663 PolarHBondContact O-N 3.3Å; M663-R665 PolarHBondContact O-N 3.09Å
664R77.3Confident76.4Confident56 Ų56137.5 Ų137.521%0.21166%0.659CS.*PPolyproline II helixtrans-66128-178.4-76.3174.6173166.75.6110.8W653 D655 D656 N659 K662W653-R664 VanDerWaalsContact CB-CZ 3.4Å; W653-R664 VanDerWaalsContact CB-NH2 3.29Å; W653-R664 VanDerWaalsContact CD1-CZ 3.42Å; W653-R664 VanDerWaalsContact CE2-CD 3.4Å; W653-R664 HydrophobicContact CH2-CG 4.29Å; W653-R664 HydrophobicContact CZ2-CB 3.92Å; W653-R664 HydrophobicContact CZ2-CG 3.77Å; D655-R664 PolarHBondContact O-NH2 3.02Å; D655-R664 IonicContact OD1-CZ 2.98Å; D655-R664 IonicContact OD1-NH2 3.72Å; D655-R664 PolarHBondContact OD1-NH2 3.46Å; D656-R664 VanDerWaalsContact CA-NH2 3.34Å; D656-R664 IonicContact OD1-CZ 3.88Å; D656-R664 IonicContact OD1-NH1 3.71Å; D656-R664 PolarHBondContact OD1-NH1 2.83Å; D656-R664 IonicContact OD1-NH2 2.81Å; N659-R664 VanDerWaalsContact CG-CD 3.46Å; N659-R664 WeakPolarHBondContact OD1-CG 3.39Å; K662-R664 VanDerWaalsContact C-N 3.29Å; K662-R664 PolarHBondContact O-N 2.8Å
665R78.9Confident75.4Confident219 Ų219136.7 Ų136.783%0.82665%0.645SS**PPolyproline II helixtrans-67.4146.8174.1-62.4-175.2-177.5-167.20.4110.5M663M663-R665 PolarHBondContact O-N 3.09Å
666E80.9Confident74Confident177 Ų177136.2 Ų136.283%0.82766%0.658SS**PPolyproline II helixtrans-56.4138.5165.2-169.8174.6-176.900109.2
667I78.4Confident72.4Confident105 Ų105141.3 Ų141.354%0.53869%0.693SS.*  trans-122.1117.7171.5-66.7-174.7000106.8K651 W653K651-I667 HydrophobicContact CD-CB 4.23Å; K651-I667 HydrophobicContact CD-CD1 4.17Å; W653-I667 HydrophobicContact CH2-CD1 4.36Å; W653-I667 HydrophobicContact CZ2-CD1 4.45Å
668T81.3Confident72.3Confident106 Ų106138.9 Ų138.965%0.6568%0.683SS**  trans-87.8117.9170.7-47.10000108.3V670T668-V670 HydrophobicContact CG2-CG2 3.95Å
669A76.2Confident72.4Confident65 Ų65139.7 Ų139.754%0.53768%0.684SS.*  trans-87.5117.8166.100000108V649V649-A669 HydrophobicContact CB-CB 4.41Å; V649-A669 HydrophobicContact CG1-CB 3.9Å; V649-A669 HydrophobicContact CG2-CB 4.32Å
670V77.3Confident72Confident101 Ų101144.4 Ų144.461%0.61271%0.706SS**  trans-105.1120.9175.7-175.80000107.8T668 Q672T668-V670 HydrophobicContact CG2-CG2 3.95Å; V670-Q672 HydrophobicContact CB-CG 4.49Å; V670-Q672 HydrophobicContact CG1-CG 3.92Å; V670-Q672 PolarHBondContact O-N 2.71Å
671L71.7Confident71.6Confident118 Ų118140.9 Ų140.962%0.61870%0.702SS**  trans-73.1118.5167.4-17860.7000108.2F645 I647F645-L671 HydrophobicContact CE2-CD2 3.81Å; F645-L671 HydrophobicContact CZ-CD2 4Å; I647-L671 HydrophobicContact CD1-CD1 3.53Å; I647-L671 HydrophobicContact CD1-CD2 4Å; I647-L671 HydrophobicContact CD1-CG 4.42Å
672Q71.5Confident70.8Confident156 Ų156137.9 Ų137.973%0.72970%0.702SS**  trans-114.7134.3176.2-66-176.1-24.200109.1V670 K674V670-Q672 HydrophobicContact CB-CG 4.49Å; V670-Q672 HydrophobicContact CG1-CG 3.92Å; V670-Q672 PolarHBondContact O-N 2.71Å; Q672-K674 PolarHBondContact O-N 2.72Å
673R68.6Low70.3Confident178 Ų178135.1 Ų135.167%0.67270%0.696SS**  trans-70.4121.7166.2-168179.977-173.83.1107.2D675R673-D675 IonicContact CZ-OD1 2.61Å; R673-D675 IonicContact NE-OD1 2.66Å; R673-D675 PolarHBondContact NE-OD1 3.15Å; R673-D675 IonicContact NH2-OD1 3.45Å; R673-D675 PolarHBondContact NH2-OD1 2.94Å; R673-D675 PolarHBondContact O-N 2.77Å
674K69.7Low69.7Low194 Ų194133.6 Ų133.684%0.84369%0.691SS**  trans-75.2109.1168.3-172.1178.9-179.4-176.10106.9Q672 G676Q672-K674 PolarHBondContact O-N 2.72Å; K674-G676 PolarHBondContact O-N 3.24Å
675D58Low69.1Low116 Ų116139.5 Ų139.562%0.6273%0.728SS**  trans-66.4103.1167.6-67.9-29.2000106.7R673 T677R673-D675 IonicContact CZ-OD1 2.61Å; R673-D675 IonicContact NE-OD1 2.66Å; R673-D675 PolarHBondContact NE-OD1 3.15Å; R673-D675 IonicContact NH2-OD1 3.45Å; R673-D675 PolarHBondContact NH2-OD1 2.94Å; R673-D675 PolarHBondContact O-N 2.77Å; D675-T677 PolarHBondContact O-N 3.42Å
676G49.6Very low68.3Low66 Ų66132.9 Ų132.968%0.6872%0.72SS**  trans-74110.817700000109K674K674-G676 PolarHBondContact O-N 3.24Å
677T36.2Very low67.1Low213 Ų213128.9 Ų128.9100%1.30771%0.71SS**  trans-55.40156.4460000111.3D675D675-T677 PolarHBondContact O-N 3.42Å

Retrieved 677 of 677 residues in 839.1 ms (Link to these results)

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