A0A077Z0H4_TRITR Loading...

CPSase L D2 and Biotin lipoyl and Biotin carb C a nd CPSase L chain domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0H4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 710 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
1M38.1Very low29.5Very low245 Ų245176 Ų176100%1.20785%0.847SS**  094.20-77.4-174.1174.800108.2
2L24.5Very low29.6Very low175 Ų175173.4 Ų173.492%0.91684%0.84SS**  trans-88.1131.4170.9-78.5159.4000107.8
3P32.5Very low29.4Very low113 Ų113173.5 Ų173.573%0.73484%0.842SS**  trans-75.4135-174.530.6-31000109.7R5P3-R5 PolarHBondContact O-N 3.5Å
4R28.4Very low29.8Very low252 Ų252170 Ų17095%0.95184%0.839SS**  trans-49.9111.5169.1-76.2178.7172.2-178.3-3.3108.8S6R4-S6 PolarHBondContact O-N 3Å
5R32.1Very low29.9Very low220 Ų220170.4 Ų170.483%0.8384%0.838SS**  trans-68.2111.7170.3-80.3-175.6173.4174.91.2108.4P3 L7P3-R5 PolarHBondContact O-N 3.5Å; R5-L7 PolarHBondContact O-N 3.2Å
6S28.5Very low29.8Very low98 Ų98175.6 Ų175.669%0.68585%0.845SS**  trans-64.5116.1165.750.60000109.1R4 I8R4-S6 PolarHBondContact O-N 3Å; S6-I8 PolarHBondContact O-N 3.13Å; S6-I8 VanDerWaalsContact O-N 3.09Å
7L28Very low29.8Very low168 Ų168174.1 Ų174.188%0.8884%0.842SS**  trans-60.7106.4164.2-76.8155.9000108R5 N9R5-L7 PolarHBondContact O-N 3.2Å; L7-N9 PolarHBondContact O-N 3.38Å; L7-N9 VanDerWaalsContact O-N 3.12Å
8I29Very low29.9Very low138 Ų138172.8 Ų172.871%0.70884%0.84SS**  trans-73.7101.2171.4-60.8176.9000106.4S6 I10S6-I8 PolarHBondContact O-N 3.13Å; S6-I8 VanDerWaalsContact O-N 3.09Å; I8-I10 VanDerWaalsContact C-N 3.33Å; I8-I10 HydrophobicContact CG2-CD1 4.45Å; I8-I10 HydrophobicContact CG2-CG1 3.68Å; I8-I10 PolarHBondContact O-N 3.11Å
9N26.4Very low29.8Very low156 Ų156169.9 Ų169.983%0.83484%0.839SS**  trans-68.190.7165.3-94-30.2000108.7L7 R11L7-N9 PolarHBondContact O-N 3.38Å; L7-N9 VanDerWaalsContact O-N 3.12Å; N9-R11 PolarHBondContact O-N 2.7Å; N9-R11 VanDerWaalsContact O-N 3.11Å
10I29.3Very low30.1Very low129 Ų129167.7 Ų167.766%0.66284%0.841SS**  trans-76.296.4167.6-55-178.3000107.2I8 L12I8-I10 VanDerWaalsContact C-N 3.33Å; I8-I10 HydrophobicContact CG2-CD1 4.45Å; I8-I10 HydrophobicContact CG2-CG1 3.68Å; I8-I10 PolarHBondContact O-N 3.11Å; I10-L12 HydrophobicContact CG2-CD2 4.28Å; I10-L12 HydrophobicContact CG2-CG 3.92Å; I10-L12 PolarHBondContact O-N 3.06Å; I10-L12 VanDerWaalsContact O-N 3.13Å
11R27.6Very low31Very low242 Ų242162.9 Ų162.991%0.91382%0.823SS**  trans-71.394.2162.7-111.3-178.6177.4-178.6-0.3107.7N9 M13N9-R11 PolarHBondContact O-N 2.7Å; N9-R11 VanDerWaalsContact O-N 3.11Å; R11-M13 PolarHBondContact O-N 3.19Å
12L30.8Very low32.1Very low145 Ų145160.3 Ų160.376%0.75981%0.808SS**  trans-75.4118.5164.6-75.5166.6000108.2I10I10-L12 HydrophobicContact CG2-CD2 4.28Å; I10-L12 HydrophobicContact CG2-CG 3.92Å; I10-L12 PolarHBondContact O-N 3.06Å; I10-L12 VanDerWaalsContact O-N 3.13Å
13M27.5Very low34.5Very low175 Ų175155.3 Ų155.386%0.86279%0.787SS**  trans-66.3141.1168.4-64.7-171.8104.900109.1R11 E15R11-M13 PolarHBondContact O-N 3.19Å; M13-E15 PolarHBondContact O-N 2.83Å
14P34.2Very low37.1Very low124 Ų124154.7 Ų154.781%0.80577%0.773SS**  trans-77.7114.2175.630.1-28.5000109.1
15E32.3Very low40.1Very low176 Ų176146.6 Ų146.682%0.82275%0.753SS**  trans-59.5133.9156.6-81.9-176.5152.700108.7M13 L17M13-E15 PolarHBondContact O-N 2.83Å; E15-L17 PolarHBondContact O-N 3.43Å
16R28.1Very low43.3Very low253 Ų253136.6 Ų136.696%0.95572%0.716SS**  trans-62.397.8179-69.2-179.6-177.3-174.80.7109.6
17L30Very low46.6Very low150 Ų150138.8 Ų138.879%0.78571%0.713SS**  trans-102.8142.6166.2-83.1159.5000110.1E15E15-L17 PolarHBondContact O-N 3.43Å
18N30.2Very low49.9Very low151 Ų151134.1 Ų134.181%0.80769%0.685SS**  trans-48141.8-165.5-78.7-34.8000115.5S20N18-S20 PolarHBondContact O-N 2.95Å
19S28.5Very low53.2Low119 Ų119127.5 Ų127.583%0.83265%0.652SS**THydrogen-bonded Turntrans-62.9104.6173.454.10000112.6
20S36Very low56.7Low124 Ų124120.1 Ų120.187%0.86761%0.612SS**THydrogen-bonded Turntrans-171.9-5.214453.70000115.9N18N18-S20 PolarHBondContact O-N 2.95Å
21S50Low60Low68 Ų68114 Ų11448%0.47658%0.581SS.*  trans-108.287.6168.858.40000111.1C23 Y242S21-C23 PolarHBondContact O-N 3.39Å; S21-Y242 PolarHBondContact OG-OH 2.89Å
22Q60.5Low63.4Low191 Ų191102.5 Ų102.589%0.89354%0.537SS*.  trans-64117174.3-107.5177.1-9.200109.8K24Q22-K24 PolarHBondContact O-N 3.28Å
23C75.7Confident66.6Low69 Ų6995.8 Ų95.847%0.46650%0.502SS..  trans-52.4124.1165.4-88.30000109.2S21 P25 S342 G343S21-C23 PolarHBondContact O-N 3.39Å; C23-P25 WeakPolarHBondContact O-CD 3.29Å; C23-S342 CarbonylContact C-O 3.4Å; C23-S342 VanDerWaalsContact CA-O 3.24Å; C23-S342 WeakPolarHBondContact CA-O 3.24Å; C23-G343 PolarHBondContact SG-O 3.3Å; C23-G343 VanDerWaalsContact SG-O 3.42Å
24K86.5Confident70Confident101 Ų10188.3 Ų88.344%0.43946%0.464SS..  trans-108.698.6176.4-170.9177.4177.5-169.20107.6Q22 I26 G123 I125 S342Q22-K24 PolarHBondContact O-N 3.28Å; K24-I26 PolarHBondContact O-N 3.28Å; K24-G123 PolarHBondContact NZ-O 3.5Å; K24-I125 HydrophobicContact CB-CD1 4.15Å; K24-I125 HydrophobicContact CD-CD1 4.11Å; K24-I125 HydrophobicContact CG-CD1 4.2Å; K24-S342 PolarHBondContact N-O 2.94Å; K24-S342 WeakPolarHBondContact O-CA 3.44Å
25P91.4Very high73Confident81 Ų8182.7 Ų82.753%0.52643%0.429SS..  trans-64.1129.1-175.524.9-32.8000110.7C23 K27C23-P25 WeakPolarHBondContact O-CD 3.29Å; P25-K27 PolarHBondContact O-N 2.99Å
26I98Very high76.1Confident10 Ų1074.7 Ų74.75%0.05139%0.392CS..  trans-78.7114.2173.8-60.1169.9000108.1K24 L29 I50 D100 A101 I125 V127 L338 A341 S342K24-I26 PolarHBondContact O-N 3.28Å; I26-L29 HydrophobicContact CG2-CB 4.32Å; I26-L29 HydrophobicContact CG2-CD1 4.27Å; I26-I50 HydrophobicContact CG2-CD1 4.45Å; I26-I50 HydrophobicContact CG2-CG2 4.01Å; I26-I50 WeakPolarHBondContact O-CG1 3.49Å; I26-D100 HydrophobicContact CG2-CB 4.4Å; I26-A101 HydrophobicContact CD1-CB 3.76Å; I26-A101 HydrophobicContact CG1-CB 3.9Å; I26-A101 HydrophobicContact CG2-CB 3.87Å; I26-I125 HydrophobicContact CD1-CD1 4.49Å; I26-I125 HydrophobicContact CD1-CG2 4.47Å; I26-I125 HydrophobicContact CG1-CD1 3.93Å; I26-V127 HydrophobicContact CD1-CG2 4.34Å; I26-L338 HydrophobicContact CD1-CD2 4.23Å; I26-A341 HydrophobicContact CD1-CB 4.08Å; I26-S342 WeakPolarHBondContact CD1-OG 3.49Å; I26-S342 WeakPolarHBondContact CG1-OG 3.36Å
27K97.9Very high79.5Confident145 Ų14562.7 Ų62.763%0.6335%0.347SS*.  trans-104.5-26.8175.2-61.2179.4-178.4178.10111.8P25 A51 D100P25-K27 PolarHBondContact O-N 2.99Å; K27-A51 PolarHBondContact O-N 3.35Å; K27-D100 WeakPolarHBondContact CA-OD2 3.49Å; K27-D100 WeakPolarHBondContact CB-OD2 3.38Å; K27-D100 PolarHBondContact N-OD2 2.88Å
28K98.4Very high82.7Confident69 Ų6955.5 Ų55.530%0.331%0.309SS..EExtended strand (participates in β ladder)trans-135114.9-178.3-147.9176.8-158174.40111.2A51 I53 C97 D100 A101K28-A51 CarbonylContact C-O 3.53Å; K28-A51 WeakPolarHBondContact CA-O 3.43Å; K28-A51 HydrophobicContact CG-CB 4.1Å; K28-I53 HydrophobicContact CD-CD1 3.88Å; K28-I53 HydrophobicContact CG-CD1 3.71Å; K28-I53 HydrophobicContact CG-CG1 4.2Å; K28-C97 VanDerWaalsContact CD-O 3.27Å; K28-C97 WeakPolarHBondContact CD-O 3.36Å; K28-C97 WeakPolarHBondContact CE-O 3.48Å; K28-C97 PolarHBondContact NZ-O 3.45Å; K28-D100 PolarHBondContact N-OD2 2.93Å; K28-D100 PolarHBondContact O-N 2.85Å; K28-A101 PolarHBondContact O-N 3.46Å
29L98.8Very high86Confident0 Ų048.3 Ų48.30%027%0.271CS..EExtended strand (participates in β ladder)trans-109.3120.5-174.9-174.168000110.5I26 I31 I41 A45 I50 A51 I53 A101 H103 V127 L338I26-L29 HydrophobicContact CG2-CB 4.32Å; I26-L29 HydrophobicContact CG2-CD1 4.27Å; L29-I31 HydrophobicContact CD2-CG1 4.44Å; L29-I31 HydrophobicContact CG-CD1 4.47Å; L29-I41 HydrophobicContact CD2-CG2 3.75Å; L29-A45 HydrophobicContact CD2-CB 4.11Å; L29-I50 HydrophobicContact CB-CG2 3.77Å; L29-A51 PolarHBondContact N-O 3.04Å; L29-I53 PolarHBondContact O-N 3.44Å; L29-A101 HydrophobicContact CD1-CB 3.74Å; L29-H103 HydrophobicContact CD1-CB 4.01Å; L29-H103 HydrophobicContact CD2-CB 4.15Å; L29-H103 HydrophobicContact CG-CB 4.25Å; L29-V127 HydrophobicContact CD1-CG2 4.08Å; L29-L338 HydrophobicContact CD1-CD2 3.98Å; L29-L338 HydrophobicContact CD2-CD1 4.49Å; L29-L338 HydrophobicContact CD2-CD2 3.73Å; L29-L338 HydrophobicContact CG-CD2 4.49Å
30L98.9Very high89.3Confident0 Ų042.9 Ų42.90%023%0.232CC..EExtended strand (participates in β ladder)trans-87.3129.8166.4-176.4150.8000109.6I53 V55 I90 I93 A94 A99 A101 I102 H103L30-I53 WeakPolarHBondContact CA-O 3.29Å; L30-I53 HydrophobicContact CB-CB 4.28Å; L30-I53 HydrophobicContact CB-CD1 4.41Å; L30-I53 HydrophobicContact CD1-CG2 4.28Å; L30-I53 HydrophobicContact CG-CB 4.45Å; L30-I53 HydrophobicContact CG-CG2 4.4Å; L30-V55 HydrophobicContact CD1-CG1 4.3Å; L30-V55 HydrophobicContact CD2-CG1 4.39Å; L30-V55 HydrophobicContact CG-CG1 4.41Å; L30-I90 HydrophobicContact CD2-CG2 3.99Å; L30-I93 HydrophobicContact CD1-CB 4.38Å; L30-I93 HydrophobicContact CD1-CG2 3.81Å; L30-A94 HydrophobicContact CD1-CB 4.06Å; L30-A99 HydrophobicContact CB-CB 4.09Å; L30-A101 PolarHBondContact N-O 3.17Å; L30-I102 HydrophobicContact CB-CG1 4.3Å; L30-I102 HydrophobicContact CD2-CD1 4.37Å; L30-I102 HydrophobicContact CD2-CG1 4.16Å; L30-I102 HydrophobicContact CD2-CG2 4Å; L30-I102 CarbonylContact O-C 3.56Å; L30-I102 VanDerWaalsContact O-CA 3.28Å; L30-I102 WeakPolarHBondContact O-CA 3.49Å; L30-H103 PolarHBondContact O-N 3.32Å
31I98.9Very high92.3Very high1 Ų137 Ų371%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-102.6106.2176.9-58.590.7000107.9L29 N33 A38 I41 I42 T52 I53 H103L29-I31 HydrophobicContact CD2-CG1 4.44Å; L29-I31 HydrophobicContact CG-CD1 4.47Å; I31-N33 HydrophobicContact CG2-CB 4.33Å; I31-N33 PolarHBondContact O-N 3.49Å; I31-N33 VanDerWaalsContact O-N 3.08Å; I31-A38 HydrophobicContact CG2-CB 3.94Å; I31-I41 HydrophobicContact CG1-CB 4.31Å; I31-I41 HydrophobicContact CG1-CG2 3.7Å; I31-I41 HydrophobicContact CG2-CD1 3.94Å; I31-I42 HydrophobicContact CD1-CG1 3.79Å; I31-I42 HydrophobicContact CG1-CG1 4.3Å; I31-T52 HydrophobicContact CD1-CG2 4.32Å; I31-I53 PolarHBondContact N-O 3.42Å; I31-H103 WeakPolarHBondContact CA-O 3.39Å
32S98.3Very high94.7Very high0 Ų033.8 Ų33.80%017%0.168CC..  trans-8852.3-178.767.60000111.5I102 H103 P104S32-I102 WeakPolarHBondContact OG-CG2 3.38Å; S32-H103 PolarHBondContact N-O 2.84Å; S32-P104 WeakPolarHBondContact OG-CA 3.46Å
33N98.4Very high96.5Very high4 Ų428.6 Ų28.62%0.02114%0.14CC..  trans-156.4-178-179.1-146.2-44.4000110.7I31 I37 P104 Y106 F108I31-N33 HydrophobicContact CG2-CB 4.33Å; I31-N33 PolarHBondContact O-N 3.49Å; I31-N33 VanDerWaalsContact O-N 3.08Å; N33-I37 HydrophobicContact CB-CG2 4.3Å; N33-P104 WeakPolarHBondContact CB-O 3.27Å; N33-P104 PolarHBondContact ND2-O 3.28Å; N33-Y106 PolarHBondContact ND2-N 3.28Å; N33-Y106 PolarHBondContact ND2-O 3.02Å; N33-F108 WeakPolarHBondContact OD1-CD2 3.44Å; N33-F108 WeakPolarHBondContact OD1-CE2 3.18Å
34R98.3Very high97.6Very high18 Ų1825.5 Ų25.57%0.06812%0.119CC..  trans-137.2178.6-176.667.1177.4-61.2-77.10.2112.7I37 D60 Y84 F108 Y401R34-I37 VanDerWaalsContact O-CG2 3.3Å; R34-I37 WeakPolarHBondContact O-CG2 3.42Å; R34-D60 WeakPolarHBondContact CD-OD2 3.41Å; R34-D60 IonicContact CZ-OD1 2.67Å; R34-D60 IonicContact CZ-OD2 3.84Å; R34-D60 IonicContact NE-OD1 2.69Å; R34-D60 PolarHBondContact NE-OD1 2.96Å; R34-D60 IonicContact NE-OD2 2.74Å; R34-D60 PolarHBondContact NE-OD2 3.35Å; R34-D60 IonicContact NH2-OD1 3.1Å; R34-D60 PolarHBondContact NH2-OD1 3.08Å; R34-D60 IonicContact NH2-OD2 2.66Å; R34-Y84 HydrophobicContact CB-CE1 3.82Å; R34-Y84 HydrophobicContact CB-CE2 4.25Å; R34-Y84 WeakPolarHBondContact CB-OH 3.25Å; R34-Y84 HydrophobicContact CG-CE1 4.45Å; R34-Y84 HydrophobicContact CG-CE2 4.31Å; R34-F108 HydrophobicContact CG-CE2 4.01Å; R34-F108 HydrophobicContact CG-CZ 4.4Å; R34-Y401 PolarHBondContact NH2-OH 3.09Å
35G97.5Very high98.2Very high7 Ų720.7 Ų20.77%0.07210%0.098CC..Hα-helixtrans66-147168.800000113.1I37 A38 C39 H65G35-I37 VanDerWaalsContact C-N 3.34Å; G35-I37 PolarHBondContact O-N 3.41Å; G35-A38 PolarHBondContact O-N 2.83Å; G35-C39 PolarHBondContact O-N 2.91Å; G35-C39 PolarHBondContact O-SG 3.24Å; G35-C39 VanDerWaalsContact O-SG 3.33Å; G35-H65 PolarHBondContact N-ND1 2.98Å
36E98.1Very high98.5Very high7 Ų722.4 Ų22.43%0.0339%0.094CC..Hα-helixtrans-61.1-42.3-172.278.383.3176.300112A38 C39 R40 Y106 L414 K417E36-A38 VanDerWaalsContact C-N 3.35Å; E36-A38 PolarHBondContact O-N 3.1Å; E36-C39 CarbonylContact O-C 3.5Å; E36-C39 WeakPolarHBondContact O-CA 3.5Å; E36-C39 WeakPolarHBondContact O-CB 3.1Å; E36-C39 PolarHBondContact O-N 2.9Å; E36-R40 WeakPolarHBondContact O-CB 3.37Å; E36-R40 PolarHBondContact O-N 3.21Å; E36-Y106 WeakPolarHBondContact CG-OH 3.12Å; E36-Y106 PolarHBondContact OE1-OH 2.59Å; E36-L414 HydrophobicContact CG-CD2 4.03Å; E36-K417 VanDerWaalsContact CD-CE 3.47Å; E36-K417 VanDerWaalsContact OE1-CD 3.28Å; E36-K417 WeakPolarHBondContact OE1-CD 3.11Å; E36-K417 WeakPolarHBondContact OE1-CE 3.38Å; E36-K417 IonicContact OE1-NZ 3.21Å; E36-K417 PolarHBondContact OE1-NZ 3.43Å; E36-K417 IonicContact OE2-NZ 2.68Å; E36-K417 PolarHBondContact OE2-NZ 3.05Å
37I98.6Very high98.5Very high1 Ų128.2 Ų28.21%0.00512%0.116CC..Hα-helixtrans-66.4-37.7-177.3-176.955.8000112.4N33 R34 G35 C39 R40 I41 Y106 L318N33-I37 HydrophobicContact CB-CG2 4.3Å; R34-I37 VanDerWaalsContact O-CG2 3.3Å; R34-I37 WeakPolarHBondContact O-CG2 3.42Å; G35-I37 VanDerWaalsContact C-N 3.34Å; G35-I37 PolarHBondContact O-N 3.41Å; I37-C39 VanDerWaalsContact C-N 3.3Å; I37-C39 PolarHBondContact O-N 3.21Å; I37-R40 HydrophobicContact CD1-CB 4.35Å; I37-R40 HydrophobicContact CD1-CG 4.31Å; I37-R40 WeakPolarHBondContact O-CB 3.41Å; I37-R40 PolarHBondContact O-N 2.8Å; I37-I41 HydrophobicContact CD1-CD1 4.06Å; I37-I41 HydrophobicContact CD1-CG1 4.14Å; I37-I41 HydrophobicContact CG1-CD1 3.88Å; I37-I41 HydrophobicContact CG1-CG1 4.46Å; I37-I41 WeakPolarHBondContact O-CD1 3.19Å; I37-I41 VanDerWaalsContact O-CG1 3.27Å; I37-I41 WeakPolarHBondContact O-CG1 3.35Å; I37-I41 PolarHBondContact O-N 2.88Å; I37-Y106 HydrophobicContact CB-CD1 4.08Å; I37-Y106 HydrophobicContact CB-CE1 3.39Å; I37-Y106 HydrophobicContact CB-CE2 4.24Å; I37-Y106 VanDerWaalsContact CB-CZ 3.47Å; I37-Y106 HydrophobicContact CD1-CD1 3.84Å; I37-Y106 HydrophobicContact CD1-CE1 3.65Å; I37-Y106 HydrophobicContact CG1-CD1 3.67Å; I37-Y106 HydrophobicContact CG1-CE1 3.48Å; I37-Y106 VanDerWaalsContact CG1-CE1 3.48Å; I37-Y106 HydrophobicContact CG1-CG 4.4Å; I37-Y106 HydrophobicContact CG2-CE1 4.03Å; I37-Y106 HydrophobicContact CG2-CE2 3.96Å; I37-L318 HydrophobicContact CD1-CD2 4.2Å
38A98.8Very high98.5Very high0 Ų023.6 Ų23.60%010%0.097CC..Hα-helixtrans-62.6-43.2173.600000110.4I31 G35 E36 R40 I41 I42 H65I31-A38 HydrophobicContact CG2-CB 3.94Å; G35-A38 PolarHBondContact O-N 2.83Å; E36-A38 VanDerWaalsContact C-N 3.35Å; E36-A38 PolarHBondContact O-N 3.1Å; A38-R40 PolarHBondContact O-N 3.15Å; A38-I41 PolarHBondContact O-N 2.88Å; A38-I42 WeakPolarHBondContact O-CB 3.41Å; A38-I42 VanDerWaalsContact O-CD1 3.32Å; A38-I42 WeakPolarHBondContact O-CD1 3.5Å; A38-I42 WeakPolarHBondContact O-CG1 3.37Å; A38-I42 PolarHBondContact O-N 3.09Å; A38-H65 HydrophobicContact CB-CB 3.57Å
39C98.7Very high98.5Very high0 Ų027.7 Ų27.70%012%0.123CC..Hα-helixtrans-61.9-43.1174.7-600000112.4G35 E36 I37 I41 I42 R43 L68G35-C39 PolarHBondContact O-N 2.91Å; G35-C39 PolarHBondContact O-SG 3.24Å; G35-C39 VanDerWaalsContact O-SG 3.33Å; E36-C39 CarbonylContact O-C 3.5Å; E36-C39 WeakPolarHBondContact O-CA 3.5Å; E36-C39 WeakPolarHBondContact O-CB 3.1Å; E36-C39 PolarHBondContact O-N 2.9Å; I37-C39 VanDerWaalsContact C-N 3.3Å; I37-C39 PolarHBondContact O-N 3.21Å; C39-I41 PolarHBondContact O-N 3.18Å; C39-I42 PolarHBondContact O-N 2.95Å; C39-R43 WeakPolarHBondContact O-CG 3.38Å; C39-R43 PolarHBondContact O-N 3.08Å; C39-L68 HydrophobicContact CB-CD2 3.94Å
40R98.7Very high98.5Very high5 Ų528.3 Ų28.32%0.01913%0.126CC..Hα-helixtrans-58-45.7177170.969.9-167.386.3-6.1111.6E36 I37 A38 T44 H322 E326 D332 V334 E398E36-R40 WeakPolarHBondContact O-CB 3.37Å; E36-R40 PolarHBondContact O-N 3.21Å; I37-R40 HydrophobicContact CD1-CB 4.35Å; I37-R40 HydrophobicContact CD1-CG 4.31Å; I37-R40 WeakPolarHBondContact O-CB 3.41Å; I37-R40 PolarHBondContact O-N 2.8Å; A38-R40 PolarHBondContact O-N 3.15Å; R40-T44 PolarHBondContact NH1-OG1 3.23Å; R40-T44 PolarHBondContact O-N 2.94Å; R40-H322 PolarHBondContact NE-NE2 3.23Å; R40-H322 VanDerWaalsContact NE-NE2 3.15Å; R40-E326 IonicContact CZ-OE1 3.58Å; R40-E326 IonicContact CZ-OE2 3.38Å; R40-E326 IonicContact NE-OE2 2.6Å; R40-E326 VanDerWaalsContact NH2-CD 3.29Å; R40-E326 IonicContact NH2-OE1 2.6Å; R40-E326 PolarHBondContact NH2-OE1 2.9Å; R40-E326 IonicContact NH2-OE2 3.04Å; R40-E326 PolarHBondContact NH2-OE2 3.41Å; R40-D332 IonicContact CZ-OD1 3.88Å; R40-D332 IonicContact NH1-OD1 3.94Å; R40-D332 IonicContact NH1-OD2 3.97Å; R40-D332 VanDerWaalsContact NH2-CG 3.29Å; R40-D332 IonicContact NH2-OD1 3.57Å; R40-D332 PolarHBondContact NH2-OD1 2.86Å; R40-D332 IonicContact NH2-OD2 2.66Å; R40-V334 HydrophobicContact CG-CG2 4.35Å; R40-E398 WeakPolarHBondContact CD-OE1 3.42Å; R40-E398 VanDerWaalsContact CD-OE2 3.23Å; R40-E398 WeakPolarHBondContact CD-OE2 3.19Å
41I98.9Very high98.5Very high0 Ų030.1 Ų30.10%014%0.141CC..Hα-helixtrans-67.1-47178.3-65.3156.2000110.5L29 I31 I37 A38 C39 R43 T44 A45 H103 V334L29-I41 HydrophobicContact CD2-CG2 3.75Å; I31-I41 HydrophobicContact CG1-CB 4.31Å; I31-I41 HydrophobicContact CG1-CG2 3.7Å; I31-I41 HydrophobicContact CG2-CD1 3.94Å; I37-I41 HydrophobicContact CD1-CD1 4.06Å; I37-I41 HydrophobicContact CD1-CG1 4.14Å; I37-I41 HydrophobicContact CG1-CD1 3.88Å; I37-I41 HydrophobicContact CG1-CG1 4.46Å; I37-I41 WeakPolarHBondContact O-CD1 3.19Å; I37-I41 VanDerWaalsContact O-CG1 3.27Å; I37-I41 WeakPolarHBondContact O-CG1 3.35Å; I37-I41 PolarHBondContact O-N 2.88Å; A38-I41 PolarHBondContact O-N 2.88Å; C39-I41 PolarHBondContact O-N 3.18Å; I41-R43 VanDerWaalsContact C-N 3.3Å; I41-R43 PolarHBondContact O-N 3.36Å; I41-T44 PolarHBondContact O-N 3.34Å; I41-A45 WeakPolarHBondContact O-CB 3.37Å; I41-A45 PolarHBondContact O-N 3.21Å; I41-H103 HydrophobicContact CD1-CB 4.4Å; I41-H103 WeakPolarHBondContact CD1-ND1 3.42Å; I41-H103 HydrophobicContact CG2-CB 4.14Å; I41-V334 HydrophobicContact CG1-CG1 4.35Å; I41-V334 HydrophobicContact CG2-CG1 4.37Å
42I98.9Very high98.5Very high0 Ų030.1 Ų30.10%014%0.141CC..Hα-helixtrans-59-42179.9-68.1160.6000110.9I31 A38 C39 T44 A45 R46 T52 H65 L68 A69I31-I42 HydrophobicContact CD1-CG1 3.79Å; I31-I42 HydrophobicContact CG1-CG1 4.3Å; A38-I42 WeakPolarHBondContact O-CB 3.41Å; A38-I42 VanDerWaalsContact O-CD1 3.32Å; A38-I42 WeakPolarHBondContact O-CD1 3.5Å; A38-I42 WeakPolarHBondContact O-CG1 3.37Å; A38-I42 PolarHBondContact O-N 3.09Å; C39-I42 PolarHBondContact O-N 2.95Å; I42-T44 PolarHBondContact O-N 2.96Å; I42-A45 PolarHBondContact O-N 3.39Å; I42-R46 HydrophobicContact CG2-CG 4.1Å; I42-R46 WeakPolarHBondContact O-CB 3.37Å; I42-R46 WeakPolarHBondContact O-CG 3.44Å; I42-R46 PolarHBondContact O-N 2.91Å; I42-T52 HydrophobicContact CB-CG2 4.42Å; I42-T52 HydrophobicContact CG1-CG2 4.31Å; I42-T52 HydrophobicContact CG2-CG2 4.1Å; I42-H65 HydrophobicContact CD1-CB 4.18Å; I42-H65 WeakPolarHBondContact CD1-O 3.4Å; I42-L68 HydrophobicContact CB-CD2 3.97Å; I42-L68 HydrophobicContact CB-CG 4.33Å; I42-L68 HydrophobicContact CD1-CB 4.5Å; I42-L68 HydrophobicContact CG2-CB 4.37Å; I42-L68 HydrophobicContact CG2-CD2 3.79Å; I42-L68 HydrophobicContact CG2-CG 3.63Å; I42-A69 HydrophobicContact CD1-CB 3.92Å
43R98.6Very high98.5Very high83 Ų8330.1 Ų30.131%0.31314%0.141SC..Hα-helixtrans-56.3-46.6176.5-79.6-173.7-76.8-89.5-0.6112.3C39 I41 R47 L68 E398C39-R43 WeakPolarHBondContact O-CG 3.38Å; C39-R43 PolarHBondContact O-N 3.08Å; I41-R43 VanDerWaalsContact C-N 3.3Å; I41-R43 PolarHBondContact O-N 3.36Å; R43-R47 WeakPolarHBondContact O-CB 3.26Å; R43-R47 PolarHBondContact O-N 3.06Å; R43-R47 VanDerWaalsContact O-N 3.15Å; R43-L68 HydrophobicContact CG-CD2 4.33Å; R43-E398 IonicContact CZ-OE2 3.8Å; R43-E398 IonicContact NE-OE2 3.82Å; R43-E398 IonicContact NH2-OE2 2.63Å; R43-E398 PolarHBondContact NH2-OE2 3.4Å
44T98.8Very high98.5Very high3 Ų330 Ų302%0.01814%0.14CC..Hα-helixtrans-70.5-43.4177.8-67.60000112.1R40 I41 I42 R46 R47 L48 D332 V334 E335 L338R40-T44 PolarHBondContact NH1-OG1 3.23Å; R40-T44 PolarHBondContact O-N 2.94Å; I41-T44 PolarHBondContact O-N 3.34Å; I42-T44 PolarHBondContact O-N 2.96Å; T44-R46 VanDerWaalsContact C-N 3.34Å; T44-R46 PolarHBondContact O-N 3.4Å; T44-R47 PolarHBondContact O-N 2.93Å; T44-L48 HydrophobicContact CG2-CD1 3.83Å; T44-L48 HydrophobicContact CG2-CG 4.38Å; T44-L48 WeakPolarHBondContact O-CG 3.47Å; T44-L48 PolarHBondContact O-N 3.46Å; T44-D332 WeakPolarHBondContact CG2-OD2 3.44Å; T44-D332 PolarHBondContact OG1-OD1 3.16Å; T44-D332 PolarHBondContact OG1-OD2 3Å; T44-V334 HydrophobicContact CG2-CB 4.08Å; T44-V334 HydrophobicContact CG2-CG1 3.93Å; T44-E335 HydrophobicContact CG2-CB 3.87Å; T44-L338 HydrophobicContact CG2-CD1 4.32Å
45A98.7Very high98.5Very high0 Ų029.1 Ų29.10%014%0.137CC..Hα-helixtrans-57.6-46.4177.800000111.5L29 I41 I42 R47 L48 D49 I50 T52L29-A45 HydrophobicContact CD2-CB 4.11Å; I41-A45 WeakPolarHBondContact O-CB 3.37Å; I41-A45 PolarHBondContact O-N 3.21Å; I42-A45 PolarHBondContact O-N 3.39Å; A45-R47 PolarHBondContact O-N 3.09Å; A45-L48 CarbonylContact O-C 3.57Å; A45-L48 WeakPolarHBondContact O-CA 3.38Å; A45-L48 PolarHBondContact O-N 3.23Å; A45-L48 VanDerWaalsContact O-N 3.08Å; A45-D49 PolarHBondContact O-N 3.36Å; A45-I50 HydrophobicContact CB-CB 4.11Å; A45-I50 HydrophobicContact CB-CG2 4.42Å; A45-I50 WeakPolarHBondContact O-CB 3.4Å; A45-I50 PolarHBondContact O-N 3.47Å; A45-T52 HydrophobicContact CB-CG2 3.49Å; A45-T52 VanDerWaalsContact CB-CG2 3.49Å
46R98.2Very high98.6Very high118 Ų11830.3 Ų30.345%0.44514%0.139SC..Hα-helixtrans-63.2-38.8176.4-69.8-176.478.4133.811.9112.6I42 T44 L48 D49 T52 L68 D70I42-R46 HydrophobicContact CG2-CG 4.1Å; I42-R46 WeakPolarHBondContact O-CB 3.37Å; I42-R46 WeakPolarHBondContact O-CG 3.44Å; I42-R46 PolarHBondContact O-N 2.91Å; T44-R46 VanDerWaalsContact C-N 3.34Å; T44-R46 PolarHBondContact O-N 3.4Å; R46-L48 PolarHBondContact O-N 3.42Å; R46-D49 PolarHBondContact O-N 3.43Å; R46-D49 VanDerWaalsContact O-N 3.14Å; R46-T52 HydrophobicContact CG-CG2 4.35Å; R46-L68 PolarHBondContact NH1-O 3.48Å; R46-D70 IonicContact CZ-OD1 3.1Å; R46-D70 IonicContact NH1-OD1 2.8Å; R46-D70 IonicContact NH2-OD1 3.92Å
47R98.1Very high98.6Very high132 Ų13230 Ų3050%0.49814%0.138SC..Hα-helixtrans-63.5-26.5174.7-177.7174.361.875.3-3.7112.7R43 T44 A45 D332 E335R43-R47 WeakPolarHBondContact O-CB 3.26Å; R43-R47 PolarHBondContact O-N 3.06Å; R43-R47 VanDerWaalsContact O-N 3.15Å; T44-R47 PolarHBondContact O-N 2.93Å; A45-R47 PolarHBondContact O-N 3.09Å; R47-D332 IonicContact CZ-OD2 2.71Å; R47-D332 IonicContact NH2-OD2 2.65Å; R47-D332 PolarHBondContact NH2-OD2 3.12Å; R47-E335 IonicContact CZ-OE2 3.43Å; R47-E335 VanDerWaalsContact CZ-OE2 3.29Å; R47-E335 IonicContact NH1-OE2 3.31Å; R47-E335 PolarHBondContact NH1-OE2 3.25Å; R47-E335 IonicContact NH2-OE2 3.11Å; R47-E335 PolarHBondContact NH2-OE2 2.89Å
48L98Very high98.5Very high47 Ų4734.1 Ų34.125%0.24616%0.157CC..THydrogen-bonded Turntrans-9611.7177.3-61.9174.4000113T44 A45 R46 I50 E335 L338T44-L48 HydrophobicContact CG2-CD1 3.83Å; T44-L48 HydrophobicContact CG2-CG 4.38Å; T44-L48 WeakPolarHBondContact O-CG 3.47Å; T44-L48 PolarHBondContact O-N 3.46Å; A45-L48 CarbonylContact O-C 3.57Å; A45-L48 WeakPolarHBondContact O-CA 3.38Å; A45-L48 PolarHBondContact O-N 3.23Å; A45-L48 VanDerWaalsContact O-N 3.08Å; R46-L48 PolarHBondContact O-N 3.42Å; L48-I50 HydrophobicContact CB-CD1 4.09Å; L48-I50 HydrophobicContact CB-CG1 4.12Å; L48-I50 HydrophobicContact CD1-CD1 4.48Å; L48-I50 PolarHBondContact O-N 2.98Å; L48-E335 HydrophobicContact CD1-CB 4.09Å; L48-E335 HydrophobicContact CD1-CG 3.88Å; L48-E335 HydrophobicContact CD2-CG 4.18Å; L48-L338 HydrophobicContact CD1-CD1 4.03Å
49D97.9Very high98.3Very high155 Ų15536.9 Ų36.983%0.82917%0.174SC*.THydrogen-bonded Turntrans57.531.9-177.5-59.4-51.8000114.1A45 R46A45-D49 PolarHBondContact O-N 3.36Å; R46-D49 PolarHBondContact O-N 3.43Å; R46-D49 VanDerWaalsContact O-N 3.14Å
50I98.7Very high98.3Very high14 Ų1437.1 Ų37.17%0.07218%0.176CC..  trans-95.9123.9174.8-57.7176.1000108.7I26 L29 A45 L48 L338I26-I50 HydrophobicContact CG2-CD1 4.45Å; I26-I50 HydrophobicContact CG2-CG2 4.01Å; I26-I50 WeakPolarHBondContact O-CG1 3.49Å; L29-I50 HydrophobicContact CB-CG2 3.77Å; A45-I50 HydrophobicContact CB-CB 4.11Å; A45-I50 HydrophobicContact CB-CG2 4.42Å; A45-I50 WeakPolarHBondContact O-CB 3.4Å; A45-I50 PolarHBondContact O-N 3.47Å; L48-I50 HydrophobicContact CB-CD1 4.09Å; L48-I50 HydrophobicContact CB-CG1 4.12Å; L48-I50 HydrophobicContact CD1-CD1 4.48Å; L48-I50 PolarHBondContact O-N 2.98Å; I50-L338 HydrophobicContact CD1-CD1 4.12Å
51A98.7Very high98.2Very high38 Ų3841.8 Ų41.831%0.31419%0.193SC..EExtended strand (participates in β ladder)trans-68.1137.6176.300000110.9K27 K28 L29K27-A51 PolarHBondContact O-N 3.35Å; K28-A51 CarbonylContact C-O 3.53Å; K28-A51 WeakPolarHBondContact CA-O 3.43Å; K28-A51 HydrophobicContact CG-CB 4.1Å; L29-A51 PolarHBondContact N-O 3.04Å
52T98.9Very high98.1Very high0 Ų047.5 Ų47.50%022%0.224CC..EExtended strand (participates in β ladder)trans-112.7136.8-169.957.10000112.8I31 I42 A45 R46 A69 D70 S71I31-T52 HydrophobicContact CD1-CG2 4.32Å; I42-T52 HydrophobicContact CB-CG2 4.42Å; I42-T52 HydrophobicContact CG1-CG2 4.31Å; I42-T52 HydrophobicContact CG2-CG2 4.1Å; A45-T52 HydrophobicContact CB-CG2 3.49Å; A45-T52 VanDerWaalsContact CB-CG2 3.49Å; R46-T52 HydrophobicContact CG-CG2 4.35Å; T52-A69 WeakPolarHBondContact OG1-CA 3.33Å; T52-D70 PolarHBondContact N-OD2 2.95Å; T52-D70 PolarHBondContact O-N 2.88Å; T52-D70 PolarHBondContact OG1-N 3.42Å; T52-D70 PolarHBondContact OG1-OD2 3.03Å; T52-S71 PolarHBondContact O-N 2.83Å; T52-S71 VanDerWaalsContact O-N 3.15Å; T52-S71 PolarHBondContact O-OG 3.16Å
53I98.8Very high98Very high0 Ų048.1 Ų48.10%023%0.229CC..EExtended strand (participates in β ladder)trans-121.4109.7175.8-53.2154.1000108K28 L29 L30 I31 S71 Y73 I93 C97 A99K28-I53 HydrophobicContact CD-CD1 3.88Å; K28-I53 HydrophobicContact CG-CD1 3.71Å; K28-I53 HydrophobicContact CG-CG1 4.2Å; L29-I53 PolarHBondContact O-N 3.44Å; L30-I53 WeakPolarHBondContact CA-O 3.29Å; L30-I53 HydrophobicContact CB-CB 4.28Å; L30-I53 HydrophobicContact CB-CD1 4.41Å; L30-I53 HydrophobicContact CD1-CG2 4.28Å; L30-I53 HydrophobicContact CG-CB 4.45Å; L30-I53 HydrophobicContact CG-CG2 4.4Å; I31-I53 PolarHBondContact N-O 3.42Å; I53-S71 CarbonylContact C-O 3.49Å; I53-S71 WeakPolarHBondContact CA-O 3.24Å; I53-Y73 HydrophobicContact CG2-CD2 3.69Å; I53-Y73 HydrophobicContact CG2-CE2 3.92Å; I53-I93 HydrophobicContact CG2-CG2 4.46Å; I53-C97 HydrophobicContact CD1-CB 3.43Å; I53-C97 VanDerWaalsContact CD1-CB 3.43Å; I53-C97 HydrophobicContact CG1-CB 4.3Å; I53-A99 HydrophobicContact CD1-CB 4.02Å
54A98.8Very high98Very high1 Ų146.2 Ų46.21%0.00822%0.224CC..EExtended strand (participates in β ladder)trans-83.3154.8169.800000111.2A69 S71 A72 Y73A54-A69 HydrophobicContact CB-CB 3.53Å; A54-S71 PolarHBondContact N-O 3.12Å; A54-A72 HydrophobicContact CB-CB 4.09Å; A54-A72 VanDerWaalsContact O-CA 3.26Å; A54-A72 WeakPolarHBondContact O-CA 3.45Å; A54-Y73 PolarHBondContact O-N 3Å
55V98.7Very high98Very high0 Ų046.1 Ų46.10%022%0.223CC..EExtended strand (participates in β ladder)trans-118151.2164.1-63.70000109.9L30 H65 Y73 I75 Y84 I93L30-V55 HydrophobicContact CD1-CG1 4.3Å; L30-V55 HydrophobicContact CD2-CG1 4.39Å; L30-V55 HydrophobicContact CG-CG1 4.41Å; V55-H65 PolarHBondContact O-NE2 3.12Å; V55-H65 VanDerWaalsContact O-NE2 3.11Å; V55-Y73 WeakPolarHBondContact CA-O 3.16Å; V55-I75 HydrophobicContact CB-CD1 4.02Å; V55-I75 HydrophobicContact CB-CG1 4.27Å; V55-I75 HydrophobicContact CB-CG2 3.65Å; V55-I75 HydrophobicContact CG1-CG2 3.82Å; V55-I75 HydrophobicContact CG2-CD1 3.86Å; V55-I75 HydrophobicContact CG2-CG2 4.41Å; V55-Y84 HydrophobicContact CG2-CD1 4.25Å; V55-Y84 HydrophobicContact CG2-CE1 4.06Å; V55-I93 HydrophobicContact CG1-CD1 4.22Å; V55-I93 HydrophobicContact CG1-CG2 4.47Å
56Y98.7Very high98Very high32 Ų3247.2 Ų47.213%0.12523%0.23CC..EExtended strand (participates in β ladder)trans-146.8145.1-179.364.9-91000113.1R61 V66 A72 Y73 H74 I75 Y84Y56-R61 HydrophobicContact CD2-CB 4.27Å; Y56-R61 HydrophobicContact CE2-CB 4.17Å; Y56-R61 HydrophobicContact CE2-CG 4.25Å; Y56-V66 HydrophobicContact CD1-CG1 4.22Å; Y56-V66 HydrophobicContact CD1-CG2 3.83Å; Y56-V66 HydrophobicContact CE1-CG1 4.45Å; Y56-V66 HydrophobicContact CG-CG2 3.87Å; Y56-A72 HydrophobicContact CD1-CB 3.91Å; Y56-A72 HydrophobicContact CE1-CB 3.89Å; Y56-Y73 WeakPolarHBondContact CD1-O 3.49Å; Y56-Y73 PolarHBondContact N-O 3.24Å; Y56-H74 HydrophobicContact CD2-CB 4.39Å; Y56-H74 HydrophobicContact CE1-CB 4.5Å; Y56-H74 HydrophobicContact CE2-CB 3.69Å; Y56-H74 AromaticContact CE2-CD2 3.88Å; Y56-H74 WeakPolarHBondContact O-CA 3.4Å; Y56-H74 PolarHBondContact O-CD2 3.09Å; Y56-I75 VanDerWaalsContact C-CG1 3.48Å; Y56-I75 WeakPolarHBondContact O-CG1 3.36Å; Y56-I75 PolarHBondContact O-N 3.26Å; Y56-Y84 WeakPolarHBondContact CA-OH 3.37Å
57S98.1Very high97.9Very high0 Ų046.9 Ų46.90%023%0.229CC..EExtended strand (participates in β ladder)trans-82.1170.4166.568.50000111.2T59 D60 R61 G76 Y411S57-T59 VanDerWaalsContact C-N 3.3Å; S57-T59 PolarHBondContact O-N 3.43Å; S57-D60 PolarHBondContact O-N 3.46Å; S57-D60 PolarHBondContact OG-OD2 2.8Å; S57-R61 PolarHBondContact O-N 3.34Å; S57-G76 CarbonylContact C-O 3.46Å; S57-G76 VanDerWaalsContact CA-O 3.22Å; S57-G76 WeakPolarHBondContact CA-O 3.33Å; S57-Y411 WeakPolarHBondContact CB-OH 3.39Å; S57-Y411 PolarHBondContact OG-OH 2.88Å
58E97.2Very high97.9Very high88 Ų8842.9 Ų42.941%0.41122%0.217SC..G310 helixtrans-50.2-46177.9-167.163.6-117.900113.4D60 R61 H74 G76E58-D60 PolarHBondContact O-N 2.81Å; E58-R61 WeakPolarHBondContact O-CB 3.14Å; E58-R61 PolarHBondContact O-N 3.42Å; E58-R61 IonicContact OE1-CZ 3.88Å; E58-R61 IonicContact OE1-NE 3.13Å; E58-R61 PolarHBondContact OE1-NE 2.65Å; E58-R61 VanDerWaalsContact OE1-NE 3.14Å; E58-R61 IonicContact OE1-NH2 2.8Å; E58-R61 PolarHBondContact OE1-NH2 3.33Å; E58-R61 IonicContact OE2-NH2 3.38Å; E58-R61 PolarHBondContact OE2-NH2 2.92Å; E58-H74 PolarHBondContact N-NE2 2.86Å; E58-H74 IonicContact OE2-CE1 3.39Å; E58-H74 IonicContact OE2-NE2 2.75Å; E58-G76 PolarHBondContact N-O 3.21Å
59T94.7Very high98Very high59 Ų5941.3 Ų41.336%0.36221%0.21SC..G310 helixtrans-71.4-15.2179.7-169.20000114S57 S78 S408 Y411S57-T59 VanDerWaalsContact C-N 3.3Å; S57-T59 PolarHBondContact O-N 3.43Å; T59-S78 WeakPolarHBondContact CB-OG 3.28Å; T59-S78 PolarHBondContact N-OG 2.91Å; T59-S408 PolarHBondContact OG1-OG 3.44Å; T59-Y411 HydrophobicContact CG2-CD2 4.34Å; T59-Y411 HydrophobicContact CG2-CE2 3.41Å; T59-Y411 VanDerWaalsContact CG2-CE2 3.41Å
60D97.7Very high98Very high5 Ų538 Ų383%0.02719%0.193CC..G310 helixtrans-101.58.6-178.6-74.6-30.3000112.7R34 S57 E58 D62 A63 V66 Y84 Y411R34-D60 WeakPolarHBondContact CD-OD2 3.41Å; R34-D60 IonicContact CZ-OD1 2.67Å; R34-D60 IonicContact CZ-OD2 3.84Å; R34-D60 IonicContact NE-OD1 2.69Å; R34-D60 PolarHBondContact NE-OD1 2.96Å; R34-D60 IonicContact NE-OD2 2.74Å; R34-D60 PolarHBondContact NE-OD2 3.35Å; R34-D60 IonicContact NH2-OD1 3.1Å; R34-D60 PolarHBondContact NH2-OD1 3.08Å; R34-D60 IonicContact NH2-OD2 2.66Å; S57-D60 PolarHBondContact O-N 3.46Å; S57-D60 PolarHBondContact OG-OD2 2.8Å; E58-D60 PolarHBondContact O-N 2.81Å; D60-D62 PolarHBondContact O-N 3.29Å; D60-D62 VanDerWaalsContact O-N 3.09Å; D60-A63 HydrophobicContact CB-CB 3.94Å; D60-A63 WeakPolarHBondContact O-CB 3.33Å; D60-A63 PolarHBondContact O-N 2.9Å; D60-V66 WeakPolarHBondContact O-CG2 3.44Å; D60-Y84 VanDerWaalsContact OD2-CE2 3.24Å; D60-Y84 WeakPolarHBondContact OD2-CE2 3.18Å; D60-Y84 VanDerWaalsContact OD2-CZ 3.29Å; D60-Y84 PolarHBondContact OD2-OH 3.39Å; D60-Y411 WeakPolarHBondContact OD2-CE2 3.44Å
61R97.5Very high98Very high102 Ų10239 Ų3939%0.38520%0.201SC..THydrogen-bonded Turntrans-48.5-39.8-179.8-179.2179.5-64.9-800.2112.8Y56 S57 E58 V66Y56-R61 HydrophobicContact CD2-CB 4.27Å; Y56-R61 HydrophobicContact CE2-CB 4.17Å; Y56-R61 HydrophobicContact CE2-CG 4.25Å; S57-R61 PolarHBondContact O-N 3.34Å; E58-R61 WeakPolarHBondContact O-CB 3.14Å; E58-R61 PolarHBondContact O-N 3.42Å; E58-R61 IonicContact OE1-CZ 3.88Å; E58-R61 IonicContact OE1-NE 3.13Å; E58-R61 PolarHBondContact OE1-NE 2.65Å; E58-R61 VanDerWaalsContact OE1-NE 3.14Å; E58-R61 IonicContact OE1-NH2 2.8Å; E58-R61 PolarHBondContact OE1-NH2 3.33Å; E58-R61 IonicContact OE2-NH2 3.38Å; E58-R61 PolarHBondContact OE2-NH2 2.92Å; R61-V66 WeakPolarHBondContact O-CG1 3.39Å
62D96.2Very high98Very high121 Ų12138.8 Ų38.865%0.64720%0.199SC*.THydrogen-bonded Turntrans-108.127.8178.4-55.6-51.1000112.1D60 R67D60-D62 PolarHBondContact O-N 3.29Å; D60-D62 VanDerWaalsContact O-N 3.09Å; D62-R67 PolarHBondContact O-NH1 2.86Å
63A97.5Very high97.9Very high12 Ų1243.1 Ų43.110%0.09922%0.216CC..  trans-73.1155.9177.700000112D60 H65 V66 R67D60-A63 HydrophobicContact CB-CB 3.94Å; D60-A63 WeakPolarHBondContact O-CB 3.33Å; D60-A63 PolarHBondContact O-N 2.9Å; A63-H65 VanDerWaalsContact C-N 3.3Å; A63-H65 VanDerWaalsContact CB-CE1 3.42Å; A63-H65 WeakPolarHBondContact CB-CE1 3.15Å; A63-H65 WeakPolarHBondContact CB-ND1 3.22Å; A63-H65 PolarHBondContact O-N 3.31Å; A63-V66 HydrophobicContact CB-CG2 4.35Å; A63-V66 WeakPolarHBondContact O-CB 3.44Å; A63-V66 PolarHBondContact O-N 2.75Å; A63-V66 VanDerWaalsContact O-N 3.09Å; A63-R67 PolarHBondContact O-N 3.48Å
64M97.7Very high97.9Very high44 Ų4445.8 Ų45.822%0.21723%0.228CC..Hα-helixtrans-57.9-39.6-177.8-166.6-177.2-17200112.9V66 R67 L68 G400M64-V66 VanDerWaalsContact C-N 3.3Å; M64-V66 PolarHBondContact O-N 3.39Å; M64-R67 PolarHBondContact O-N 3.01Å; M64-L68 WeakPolarHBondContact O-CB 3.18Å; M64-L68 PolarHBondContact O-N 3.42Å; M64-G400 WeakPolarHBondContact CB-O 3.31Å
65H98.4Very high97.9Very high0 Ų045.9 Ų45.90%023%0.229CC..Hα-helixtrans-69.1-28.1179.768.9-74.5000113G35 A38 I42 V55 A63 L68 A69G35-H65 PolarHBondContact N-ND1 2.98Å; A38-H65 HydrophobicContact CB-CB 3.57Å; I42-H65 HydrophobicContact CD1-CB 4.18Å; I42-H65 WeakPolarHBondContact CD1-O 3.4Å; V55-H65 PolarHBondContact O-NE2 3.12Å; V55-H65 VanDerWaalsContact O-NE2 3.11Å; A63-H65 VanDerWaalsContact C-N 3.3Å; A63-H65 VanDerWaalsContact CB-CE1 3.42Å; A63-H65 WeakPolarHBondContact CB-CE1 3.15Å; A63-H65 WeakPolarHBondContact CB-ND1 3.22Å; A63-H65 PolarHBondContact O-N 3.31Å; H65-L68 PolarHBondContact O-N 3.47Å; H65-A69 PolarHBondContact O-N 3Å; H65-A69 VanDerWaalsContact O-N 3.17Å
66V98.5Very high97.8Very high24 Ų2446.5 Ų46.515%0.14524%0.235CC..Hα-helixtrans-68-44.5174.9173.40000110.6Y56 D60 R61 A63 M64 L68 A72Y56-V66 HydrophobicContact CD1-CG1 4.22Å; Y56-V66 HydrophobicContact CD1-CG2 3.83Å; Y56-V66 HydrophobicContact CE1-CG1 4.45Å; Y56-V66 HydrophobicContact CG-CG2 3.87Å; D60-V66 WeakPolarHBondContact O-CG2 3.44Å; R61-V66 WeakPolarHBondContact O-CG1 3.39Å; A63-V66 HydrophobicContact CB-CG2 4.35Å; A63-V66 WeakPolarHBondContact O-CB 3.44Å; A63-V66 PolarHBondContact O-N 2.75Å; A63-V66 VanDerWaalsContact O-N 3.09Å; M64-V66 VanDerWaalsContact C-N 3.3Å; M64-V66 PolarHBondContact O-N 3.39Å; V66-L68 VanDerWaalsContact C-N 3.29Å; V66-L68 PolarHBondContact O-N 2.96Å; V66-A72 HydrophobicContact CB-CB 4.4Å; V66-A72 HydrophobicContact CG1-CB 3.67Å
67R97.9Very high97.7Very high111 Ų11148.4 Ų48.442%0.41925%0.251SS..Hα-helixtrans-66.7-31175.8-66-172.6-71.9-99.8-1.3112.9D62 A63 M64 D405D62-R67 PolarHBondContact O-NH1 2.86Å; A63-R67 PolarHBondContact O-N 3.48Å; M64-R67 PolarHBondContact O-N 3.01Å; R67-D405 IonicContact CZ-OD1 2.77Å; R67-D405 IonicContact NH1-OD1 3.64Å; R67-D405 IonicContact NH2-OD1 2.85Å; R67-D405 PolarHBondContact NH2-OD1 2.93Å; R67-D405 IonicContact NH2-OD2 3.92Å; R67-D405 PolarHBondContact NH2-OD2 2.83Å; R67-D405 VanDerWaalsContact NH2-OD2 3.14Å
68L98Very high97.6Very high48 Ų4849.5 Ų49.525%0.25126%0.259SS..Hα-helixtrans-81.4-29.8-174.9-170.966000113.5C39 I42 R43 R46 M64 H65 V66C39-L68 HydrophobicContact CB-CD2 3.94Å; I42-L68 HydrophobicContact CB-CD2 3.97Å; I42-L68 HydrophobicContact CB-CG 4.33Å; I42-L68 HydrophobicContact CD1-CB 4.5Å; I42-L68 HydrophobicContact CG2-CB 4.37Å; I42-L68 HydrophobicContact CG2-CD2 3.79Å; I42-L68 HydrophobicContact CG2-CG 3.63Å; R43-L68 HydrophobicContact CG-CD2 4.33Å; R46-L68 PolarHBondContact NH1-O 3.48Å; M64-L68 WeakPolarHBondContact O-CB 3.18Å; M64-L68 PolarHBondContact O-N 3.42Å; H65-L68 PolarHBondContact O-N 3.47Å; V66-L68 VanDerWaalsContact C-N 3.29Å; V66-L68 PolarHBondContact O-N 2.96Å
69A98.5Very high97.3Very high13 Ų1347 Ų4711%0.10725%0.253CS..SBendtrans-73.9156.9-178.900000112.7I42 T52 A54 H65 S71I42-A69 HydrophobicContact CD1-CB 3.92Å; T52-A69 WeakPolarHBondContact OG1-CA 3.33Å; A54-A69 HydrophobicContact CB-CB 3.53Å; H65-A69 PolarHBondContact O-N 3Å; H65-A69 VanDerWaalsContact O-N 3.17Å; A69-S71 VanDerWaalsContact C-N 3.28Å; A69-S71 WeakPolarHBondContact CB-O 3.49Å; A69-S71 PolarHBondContact O-N 3.06Å
70D98.6Very high97.2Very high87 Ų8745.1 Ų45.147%0.46524%0.244SC..SBendtrans-72-26.4176.8-54.7-66.7000112.1R46 T52R46-D70 IonicContact CZ-OD1 3.1Å; R46-D70 IonicContact NH1-OD1 2.8Å; R46-D70 IonicContact NH2-OD1 3.92Å; T52-D70 PolarHBondContact N-OD2 2.95Å; T52-D70 PolarHBondContact O-N 2.88Å; T52-D70 PolarHBondContact OG1-N 3.42Å; T52-D70 PolarHBondContact OG1-OD2 3.03Å
71S98.2Very high97Very high35 Ų3548.8 Ų48.825%0.24527%0.27CS..EExtended strand (participates in β ladder)trans-149.9154.7171.6590000110.7T52 I53 A54 A69T52-S71 PolarHBondContact O-N 2.83Å; T52-S71 VanDerWaalsContact O-N 3.15Å; T52-S71 PolarHBondContact O-OG 3.16Å; I53-S71 CarbonylContact C-O 3.49Å; I53-S71 WeakPolarHBondContact CA-O 3.24Å; A54-S71 PolarHBondContact N-O 3.12Å; A69-S71 VanDerWaalsContact C-N 3.28Å; A69-S71 WeakPolarHBondContact CB-O 3.49Å; A69-S71 PolarHBondContact O-N 3.06Å
72A98.5Very high96.8Very high32 Ų3248.5 Ų48.526%0.26428%0.276SS..EExtended strand (participates in β ladder)trans-143.8141.8-179.100000112.2A54 Y56 V66A54-A72 HydrophobicContact CB-CB 4.09Å; A54-A72 VanDerWaalsContact O-CA 3.26Å; A54-A72 WeakPolarHBondContact O-CA 3.45Å; Y56-A72 HydrophobicContact CD1-CB 3.91Å; Y56-A72 HydrophobicContact CE1-CB 3.89Å; V66-A72 HydrophobicContact CB-CB 4.4Å; V66-A72 HydrophobicContact CG1-CB 3.67Å
73Y98.6Very high96.9Very high92 Ų9242.8 Ų42.836%0.36125%0.245SC..EExtended strand (participates in β ladder)trans-129.6136.9-175.2-68.5-97.5000113.2I53 A54 V55 Y56 I75 I93 C97I53-Y73 HydrophobicContact CG2-CD2 3.69Å; I53-Y73 HydrophobicContact CG2-CE2 3.92Å; A54-Y73 PolarHBondContact O-N 3Å; V55-Y73 WeakPolarHBondContact CA-O 3.16Å; Y56-Y73 WeakPolarHBondContact CD1-O 3.49Å; Y56-Y73 PolarHBondContact N-O 3.24Å; Y73-I75 PolarHBondContact O-N 3.16Å; Y73-I93 HydrophobicContact CD1-CG2 4.33Å; Y73-I93 HydrophobicContact CD2-CG2 3.87Å; Y73-I93 HydrophobicContact CG-CG1 4.49Å; Y73-I93 HydrophobicContact CG-CG2 3.73Å; Y73-C97 WeakPolarHBondContact CE2-SG 3.46Å
74H98.4Very high96.9Very high55 Ų5542.2 Ų42.226%0.25524%0.24SC..EExtended strand (participates in β ladder)trans-72.9122.9176-177.3-129.6000111.7Y56 E58 G76 R89Y56-H74 HydrophobicContact CD2-CB 4.39Å; Y56-H74 HydrophobicContact CE1-CB 4.5Å; Y56-H74 HydrophobicContact CE2-CB 3.69Å; Y56-H74 AromaticContact CE2-CD2 3.88Å; Y56-H74 WeakPolarHBondContact O-CA 3.4Å; Y56-H74 PolarHBondContact O-CD2 3.09Å; E58-H74 PolarHBondContact N-NE2 2.86Å; E58-H74 IonicContact OE2-CE1 3.39Å; E58-H74 IonicContact OE2-NE2 2.75Å; H74-G76 PolarHBondContact NE2-N 3.16Å; H74-G76 PolarHBondContact NE2-O 3.24Å; H74-R89 PolarHBondContact O-NE 2.85Å; H74-R89 PolarHBondContact O-NH2 2.71Å
75I98.2Very high96.9Very high3 Ų343.4 Ų43.42%0.01525%0.247CC..EExtended strand (participates in β ladder)trans-105-5.7-178.249.9168.2000114.5V55 Y56 Y73 S83 Y84 R89 I93V55-I75 HydrophobicContact CB-CD1 4.02Å; V55-I75 HydrophobicContact CB-CG1 4.27Å; V55-I75 HydrophobicContact CB-CG2 3.65Å; V55-I75 HydrophobicContact CG1-CG2 3.82Å; V55-I75 HydrophobicContact CG2-CD1 3.86Å; V55-I75 HydrophobicContact CG2-CG2 4.41Å; Y56-I75 VanDerWaalsContact C-CG1 3.48Å; Y56-I75 WeakPolarHBondContact O-CG1 3.36Å; Y56-I75 PolarHBondContact O-N 3.26Å; Y73-I75 PolarHBondContact O-N 3.16Å; I75-S83 VanDerWaalsContact CD1-C 3.48Å; I75-Y84 HydrophobicContact CD1-CD1 3.62Å; I75-Y84 HydrophobicContact CD1-CD2 4.44Å; I75-Y84 HydrophobicContact CD1-CE1 3.86Å; I75-Y84 HydrophobicContact CD1-CG 3.93Å; I75-R89 HydrophobicContact CB-CG 4.05Å; I75-R89 HydrophobicContact CG2-CG 4.02Å; I75-I93 HydrophobicContact CG2-CD1 3.26Å
76G97.5Very high96.8Very high13 Ų1345.9 Ų45.913%0.13426%0.261CS..EExtended strand (participates in β ladder)trans134.3-167.4174.800000114.2S57 E58 H74S57-G76 CarbonylContact C-O 3.46Å; S57-G76 VanDerWaalsContact CA-O 3.22Å; S57-G76 WeakPolarHBondContact CA-O 3.33Å; E58-G76 PolarHBondContact N-O 3.21Å; H74-G76 PolarHBondContact NE2-N 3.16Å; H74-G76 PolarHBondContact NE2-O 3.24Å
77P96.7Very high96.8Very high72 Ų7247.1 Ų47.147%0.46827%0.265SS..SBendtrans-60.3165.9-175.7-21.933.1000113.9A79 L82 S83P77-A79 VanDerWaalsContact C-N 3.25Å; P77-A79 PolarHBondContact O-N 3.26Å; P77-A79 VanDerWaalsContact O-N 3.16Å; P77-L82 HydrophobicContact CG-CB 4.43Å; P77-L82 HydrophobicContact CG-CD1 4.41Å; P77-S83 WeakPolarHBondContact O-CB 3.26Å; P77-S83 PolarHBondContact O-OG 2.99Å; P77-S83 VanDerWaalsContact O-OG 3.06Å
78S94.5Very high96.7Very high23 Ų2349.6 Ų49.616%0.16128%0.281CS..SBendtrans-58-30.4-177-51.10000114.7T59 A80 H410 Y411T59-S78 WeakPolarHBondContact CB-OG 3.28Å; T59-S78 PolarHBondContact N-OG 2.91Å; S78-A80 PolarHBondContact O-N 3.03Å; S78-H410 VanDerWaalsContact CB-CD2 3.4Å; S78-H410 WeakPolarHBondContact CB-CD2 3.36Å; S78-H410 VanDerWaalsContact CB-CE1 3.42Å; S78-H410 WeakPolarHBondContact CB-CE1 3.22Å; S78-H410 VanDerWaalsContact CB-NE2 3.29Å; S78-H410 WeakPolarHBondContact CB-NE2 3.23Å; S78-Y411 PolarHBondContact O-OH 3.4Å
79A90.8Very high96.7Very high35 Ų3551.2 Ų51.229%0.28928%0.284SS..SBendtrans-61.6124.1176.300000111.2P77 S81 L82 S83P77-A79 VanDerWaalsContact C-N 3.25Å; P77-A79 PolarHBondContact O-N 3.26Å; P77-A79 VanDerWaalsContact O-N 3.16Å; A79-S81 VanDerWaalsContact C-N 3.25Å; A79-S81 PolarHBondContact O-N 3.23Å; A79-L82 HydrophobicContact CB-CD1 4.43Å; A79-L82 HydrophobicContact CB-CG 4.48Å; A79-L82 PolarHBondContact O-N 3.08Å; A79-S83 PolarHBondContact O-N 3.02Å; A79-S83 VanDerWaalsContact O-N 3.12Å; A79-S83 PolarHBondContact O-OG 3.38Å
80A93.7Very high96.7Very high21 Ų2150.6 Ų50.617%0.17428%0.279CS..G310 helixtrans-59.3-34.9-176.400000113.2S78 L82 S83 Y84 L85 F108 Y411S78-A80 PolarHBondContact O-N 3.03Å; A80-L82 PolarHBondContact O-N 3.26Å; A80-S83 WeakPolarHBondContact CA-OG 3.24Å; A80-S83 CarbonylContact O-C 3.52Å; A80-S83 PolarHBondContact O-N 3.4Å; A80-S83 VanDerWaalsContact O-N 3.16Å; A80-Y84 PolarHBondContact O-N 2.95Å; A80-Y84 VanDerWaalsContact O-N 3.16Å; A80-L85 WeakPolarHBondContact O-CB 3.34Å; A80-L85 PolarHBondContact O-N 2.92Å; A80-F108 HydrophobicContact CB-CD1 4.43Å; A80-F108 HydrophobicContact CB-CE1 3.78Å; A80-Y411 HydrophobicContact CB-CE1 4.25Å
81S92.5Very high96.6Very high81 Ų8147.4 Ų47.457%0.56626%0.261SS*.G310 helixtrans-58.4-28.6175.451.90000113.4A79A79-S81 VanDerWaalsContact C-N 3.25Å; A79-S81 PolarHBondContact O-N 3.23Å
82L94.5Very high96.6Very high97 Ų9747.2 Ų47.251%0.50826%0.257SS..G310 helixtrans-101.9-8.3179.6-58.3178.3000113.1P77 A79 A80P77-L82 HydrophobicContact CG-CB 4.43Å; P77-L82 HydrophobicContact CG-CD1 4.41Å; A79-L82 HydrophobicContact CB-CD1 4.43Å; A79-L82 HydrophobicContact CB-CG 4.48Å; A79-L82 PolarHBondContact O-N 3.08Å; A80-L82 PolarHBondContact O-N 3.26Å
83S97.3Very high96.6Very high0 Ų045.8 Ų45.80%025%0.245CC..THydrogen-bonded Turntrans-123.3-92.4-178.652.40000112.1I75 P77 A79 A80 L85 N86I75-S83 VanDerWaalsContact CD1-C 3.48Å; P77-S83 WeakPolarHBondContact O-CB 3.26Å; P77-S83 PolarHBondContact O-OG 2.99Å; P77-S83 VanDerWaalsContact O-OG 3.06Å; A79-S83 PolarHBondContact O-N 3.02Å; A79-S83 VanDerWaalsContact O-N 3.12Å; A79-S83 PolarHBondContact O-OG 3.38Å; A80-S83 WeakPolarHBondContact CA-OG 3.24Å; A80-S83 CarbonylContact O-C 3.52Å; A80-S83 PolarHBondContact O-N 3.4Å; A80-S83 VanDerWaalsContact O-N 3.16Å; S83-L85 PolarHBondContact O-N 3.32Å; S83-L85 VanDerWaalsContact O-N 3.09Å; S83-N86 WeakPolarHBondContact O-CB 3.44Å; S83-N86 PolarHBondContact O-N 2.53Å
84Y97.9Very high96.6Very high0 Ų041.4 Ų41.40%023%0.228CC..THydrogen-bonded Turntrans-62.8-19.3-172.3-69.4-75.3000114.8R34 V55 Y56 D60 I75 A80 F108 L109 Y411R34-Y84 HydrophobicContact CB-CE1 3.82Å; R34-Y84 HydrophobicContact CB-CE2 4.25Å; R34-Y84 WeakPolarHBondContact CB-OH 3.25Å; R34-Y84 HydrophobicContact CG-CE1 4.45Å; R34-Y84 HydrophobicContact CG-CE2 4.31Å; V55-Y84 HydrophobicContact CG2-CD1 4.25Å; V55-Y84 HydrophobicContact CG2-CE1 4.06Å; Y56-Y84 WeakPolarHBondContact CA-OH 3.37Å; D60-Y84 VanDerWaalsContact OD2-CE2 3.24Å; D60-Y84 WeakPolarHBondContact OD2-CE2 3.18Å; D60-Y84 VanDerWaalsContact OD2-CZ 3.29Å; D60-Y84 PolarHBondContact OD2-OH 3.39Å; I75-Y84 HydrophobicContact CD1-CD1 3.62Å; I75-Y84 HydrophobicContact CD1-CD2 4.44Å; I75-Y84 HydrophobicContact CD1-CE1 3.86Å; I75-Y84 HydrophobicContact CD1-CG 3.93Å; A80-Y84 PolarHBondContact O-N 2.95Å; A80-Y84 VanDerWaalsContact O-N 3.16Å; Y84-F108 HydrophobicContact CD2-CZ 4.27Å; Y84-F108 HydrophobicContact CG-CE2 4.31Å; Y84-F108 HydrophobicContact CG-CZ 4.25Å; Y84-L109 WeakPolarHBondContact O-CD1 3.49Å; Y84-Y411 AromaticContact CD2-CE1 3.87Å; Y84-Y411 HydrophobicContact CD2-CE1 3.87Å; Y84-Y411 AromaticContact CE2-CE1 3.95Å; Y84-Y411 HydrophobicContact CE2-CE1 3.95Å; Y84-Y411 HydrophobicContact CE2-CE2 4.36Å; Y84-Y411 AromaticContact CE2-CZ 3.69Å
85L97.2Very high96.6Very high70 Ų7046.2 Ų46.237%0.36624%0.244SC..THydrogen-bonded Turntrans-97.3-2.4173.5-62174.6000113.1A80 S83 Q87 F108 L109A80-L85 WeakPolarHBondContact O-CB 3.34Å; A80-L85 PolarHBondContact O-N 2.92Å; S83-L85 PolarHBondContact O-N 3.32Å; S83-L85 VanDerWaalsContact O-N 3.09Å; L85-Q87 PolarHBondContact O-N 3.29Å; L85-F108 HydrophobicContact CD2-CB 3.95Å; L85-F108 HydrophobicContact CD2-CD1 4.06Å; L85-F108 HydrophobicContact CG-CD1 4.25Å; L85-L109 HydrophobicContact CD2-CD2 4.08Å; L85-L109 HydrophobicContact CD2-CG 4.27Å
86N96.7Very high96.5Very high52 Ų5253.7 Ų53.728%0.27827%0.272SS..  trans-79.389.3178.4-171.7-25.3000110.7S83 E88 R89 I90S83-N86 WeakPolarHBondContact O-CB 3.44Å; S83-N86 PolarHBondContact O-N 2.53Å; N86-E88 PolarHBondContact O-N 3.01Å; N86-E88 PolarHBondContact OD1-N 3.44Å; N86-R89 HydrophobicContact CB-CB 4.18Å; N86-R89 PolarHBondContact O-N 2.92Å; N86-R89 WeakPolarHBondContact OD1-CB 3.34Å; N86-R89 PolarHBondContact OD1-N 3.16Å; N86-R89 VanDerWaalsContact OD1-N 3.08Å; N86-I90 WeakPolarHBondContact O-CG1 3.46Å; N86-I90 PolarHBondContact O-N 3.49Å; N86-I90 VanDerWaalsContact O-N 3.16Å
87Q97.7Very high96.5Very high50 Ų5053.3 Ų53.323%0.23427%0.267CS..Hα-helixtrans-61.2-41.4-177-57.5-175.325.200112.6L85 R89 I90 F91 L109 N112 F115L85-Q87 PolarHBondContact O-N 3.29Å; Q87-R89 VanDerWaalsContact C-N 3.31Å; Q87-R89 PolarHBondContact O-N 3.15Å; Q87-I90 PolarHBondContact O-N 3.15Å; Q87-F91 HydrophobicContact CB-CD2 4.4Å; Q87-F91 HydrophobicContact CB-CE2 4.13Å; Q87-F91 WeakPolarHBondContact O-CD2 3.44Å; Q87-F91 PolarHBondContact O-N 2.78Å; Q87-L109 HydrophobicContact CG-CD1 4.13Å; Q87-L109 HydrophobicContact CG-CD2 3.91Å; Q87-N112 PolarHBondContact NE2-ND2 2.69Å; Q87-F115 HydrophobicContact CB-CD2 4.01Å; Q87-F115 HydrophobicContact CB-CE2 4.34Å; Q87-F115 HydrophobicContact CG-CD2 3.68Å; Q87-F115 HydrophobicContact CG-CE2 4.33Å; Q87-F115 HydrophobicContact CG-CG 4.49Å
88E96.9Very high96.5Very high163 Ų16357.4 Ų57.476%0.76228%0.28SS*.Hα-helixtrans-58.8-46.1-179.6-174.3-175.1172.400110.8N86 I90 F91 D92N86-E88 PolarHBondContact O-N 3.01Å; N86-E88 PolarHBondContact OD1-N 3.44Å; E88-I90 PolarHBondContact O-N 2.99Å; E88-F91 PolarHBondContact O-N 3.13Å; E88-D92 WeakPolarHBondContact O-CB 3.4Å; E88-D92 PolarHBondContact O-N 3.29Å
89R97.4Very high96.7Very high82 Ų8256.9 Ų56.931%0.30928%0.277SS..Hα-helixtrans-66.2-38.8179.3-17258.5174.4177.8-6.5112.3H74 I75 N86 Q87 D92 I93H74-R89 PolarHBondContact O-NE 2.85Å; H74-R89 PolarHBondContact O-NH2 2.71Å; I75-R89 HydrophobicContact CB-CG 4.05Å; I75-R89 HydrophobicContact CG2-CG 4.02Å; N86-R89 HydrophobicContact CB-CB 4.18Å; N86-R89 PolarHBondContact O-N 2.92Å; N86-R89 WeakPolarHBondContact OD1-CB 3.34Å; N86-R89 PolarHBondContact OD1-N 3.16Å; N86-R89 VanDerWaalsContact OD1-N 3.08Å; Q87-R89 VanDerWaalsContact C-N 3.31Å; Q87-R89 PolarHBondContact O-N 3.15Å; R89-D92 IonicContact NH1-OD2 3.11Å; R89-D92 PolarHBondContact NH1-OD2 3.42Å; R89-D92 VanDerWaalsContact NH1-OD2 3.11Å; R89-D92 PolarHBondContact O-N 2.84Å; R89-I93 HydrophobicContact CG-CD1 4.26Å; R89-I93 WeakPolarHBondContact O-CG1 3.44Å; R89-I93 PolarHBondContact O-N 2.89Å; R89-I93 VanDerWaalsContact O-N 3.09Å
90I98.2Very high97Very high0 Ų057.1 Ų57.10%027%0.273CS..Hα-helixtrans-62.7-45.1175.6-68.7164.9000110.6L30 N86 Q87 E88 I93 A94 I102 L109 F115L30-I90 HydrophobicContact CD2-CG2 3.99Å; N86-I90 WeakPolarHBondContact O-CG1 3.46Å; N86-I90 PolarHBondContact O-N 3.49Å; N86-I90 VanDerWaalsContact O-N 3.16Å; Q87-I90 PolarHBondContact O-N 3.15Å; E88-I90 PolarHBondContact O-N 2.99Å; I90-I93 PolarHBondContact O-N 3.28Å; I90-A94 WeakPolarHBondContact O-CB 3.41Å; I90-A94 PolarHBondContact O-N 3.27Å; I90-I102 HydrophobicContact CG2-CD1 3.97Å; I90-L109 HydrophobicContact CD1-CD1 3.46Å; I90-L109 VanDerWaalsContact CD1-CD1 3.46Å; I90-F115 HydrophobicContact CG2-CE2 4.23Å; I90-F115 HydrophobicContact CG2-CZ 4.03Å
91F98.4Very high97.3Very high19 Ų1956.1 Ų56.18%0.08327%0.265CS..Hα-helixtrans-67.7-37178.1-69.6-51.6000113.2Q87 E88 I93 A94 R95 I102 F115 A118 C119 N122 L124Q87-F91 HydrophobicContact CB-CD2 4.4Å; Q87-F91 HydrophobicContact CB-CE2 4.13Å; Q87-F91 WeakPolarHBondContact O-CD2 3.44Å; Q87-F91 PolarHBondContact O-N 2.78Å; E88-F91 PolarHBondContact O-N 3.13Å; F91-I93 VanDerWaalsContact C-N 3.34Å; F91-I93 PolarHBondContact O-N 2.75Å; F91-A94 PolarHBondContact O-N 3.06Å; F91-R95 WeakPolarHBondContact O-CB 3.32Å; F91-R95 PolarHBondContact O-N 2.85Å; F91-I102 HydrophobicContact CD1-CD1 4.31Å; F91-I102 HydrophobicContact CE1-CD1 4.14Å; F91-F115 HydrophobicContact CE1-CD2 4.44Å; F91-F115 AromaticContact CE1-CE2 3.88Å; F91-F115 HydrophobicContact CE1-CE2 3.88Å; F91-F115 HydrophobicContact CE1-CZ 4.41Å; F91-F115 AromaticContact CE2-CD2 3.86Å; F91-F115 HydrophobicContact CE2-CD2 3.86Å; F91-F115 AromaticContact CE2-CE2 3.83Å; F91-F115 HydrophobicContact CE2-CE2 3.83Å; F91-F115 AromaticContact CZ-CD2 3.55Å; F91-F115 HydrophobicContact CZ-CD2 3.55Å; F91-F115 AromaticContact CZ-CE2 3.4Å; F91-F115 HydrophobicContact CZ-CE2 3.4Å; F91-F115 VanDerWaalsContact CZ-CE2 3.4Å; F91-F115 HydrophobicContact CZ-CZ 4.27Å; F91-A118 HydrophobicContact CE2-CB 3.62Å; F91-A118 HydrophobicContact CZ-CB 3.54Å; F91-C119 HydrophobicContact CE1-CB 4.35Å; F91-N122 HydrophobicContact CD1-CB 4.5Å; F91-L124 HydrophobicContact CD1-CD1 3.78Å; F91-L124 HydrophobicContact CE1-CD1 4.06Å
92D97.9Very high97.6Very high31 Ų3152.3 Ų52.317%0.16624%0.238CC..Hα-helixtrans-58.1-46.7172.5176.746.3000111.2E88 R89 R95 R96E88-D92 WeakPolarHBondContact O-CB 3.4Å; E88-D92 PolarHBondContact O-N 3.29Å; R89-D92 IonicContact NH1-OD2 3.11Å; R89-D92 PolarHBondContact NH1-OD2 3.42Å; R89-D92 VanDerWaalsContact NH1-OD2 3.11Å; R89-D92 PolarHBondContact O-N 2.84Å; D92-R95 PolarHBondContact O-N 2.74Å; D92-R96 VanDerWaalsContact CG-NE 3.31Å; D92-R96 VanDerWaalsContact CG-NH2 3.28Å; D92-R96 VanDerWaalsContact O-CG 3.29Å; D92-R96 WeakPolarHBondContact O-CG 3.32Å; D92-R96 PolarHBondContact O-N 3.44Å; D92-R96 IonicContact OD1-CZ 3.33Å; D92-R96 IonicContact OD1-NE 2.83Å; D92-R96 PolarHBondContact OD1-NE 3.36Å; D92-R96 IonicContact OD1-NH2 3.06Å; D92-R96 PolarHBondContact OD1-NH2 2.88Å; D92-R96 IonicContact OD2-CZ 3.04Å; D92-R96 IonicContact OD2-NE 3.19Å; D92-R96 PolarHBondContact OD2-NE 3.11Å; D92-R96 IonicContact OD2-NH1 3.86Å; D92-R96 IonicContact OD2-NH2 2.7Å; D92-R96 PolarHBondContact OD2-NH2 3.08Å
93I98Very high97.8Very high2 Ų247.7 Ų47.71%0.0121%0.214CC..Hα-helixtrans-65.9-46.5176.8-67.3162.9000111.1L30 I53 V55 Y73 I75 R89 I90 F91 R95 R96 C97L30-I93 HydrophobicContact CD1-CB 4.38Å; L30-I93 HydrophobicContact CD1-CG2 3.81Å; I53-I93 HydrophobicContact CG2-CG2 4.46Å; V55-I93 HydrophobicContact CG1-CD1 4.22Å; V55-I93 HydrophobicContact CG1-CG2 4.47Å; Y73-I93 HydrophobicContact CD1-CG2 4.33Å; Y73-I93 HydrophobicContact CD2-CG2 3.87Å; Y73-I93 HydrophobicContact CG-CG1 4.49Å; Y73-I93 HydrophobicContact CG-CG2 3.73Å; I75-I93 HydrophobicContact CG2-CD1 3.26Å; R89-I93 HydrophobicContact CG-CD1 4.26Å; R89-I93 WeakPolarHBondContact O-CG1 3.44Å; R89-I93 PolarHBondContact O-N 2.89Å; R89-I93 VanDerWaalsContact O-N 3.09Å; I90-I93 PolarHBondContact O-N 3.28Å; F91-I93 VanDerWaalsContact C-N 3.34Å; F91-I93 PolarHBondContact O-N 2.75Å; I93-R95 PolarHBondContact O-N 2.95Å; I93-R96 PolarHBondContact O-N 3.14Å; I93-C97 WeakPolarHBondContact O-CB 3.48Å; I93-C97 PolarHBondContact O-N 2.9Å; I93-C97 PolarHBondContact O-SG 3.02Å
94A98.3Very high97.8Very high1 Ų147.9 Ų47.91%0.00822%0.216CC..Hα-helixtrans-54.9-43.4178.300000111.2L30 I90 F91 Q98 A99 I102 L124L30-A94 HydrophobicContact CD1-CB 4.06Å; I90-A94 WeakPolarHBondContact O-CB 3.41Å; I90-A94 PolarHBondContact O-N 3.27Å; F91-A94 PolarHBondContact O-N 3.06Å; A94-Q98 PolarHBondContact O-N 2.98Å; A94-Q98 VanDerWaalsContact O-N 3.1Å; A94-A99 HydrophobicContact CB-CB 4.21Å; A94-A99 PolarHBondContact O-N 2.87Å; A94-I102 HydrophobicContact CB-CD1 4.22Å; A94-L124 HydrophobicContact CB-CD1 3.81Å; A94-L124 HydrophobicContact CB-CD2 4.19Å
95R97.8Very high97.8Very high155 Ų15548 Ų4859%0.58522%0.217SC*.Hα-helixtrans-65.1-49.7176.8-168.6-174.5-57.2119.62.3112.2F91 D92 I93 C97 Q98F91-R95 WeakPolarHBondContact O-CB 3.32Å; F91-R95 PolarHBondContact O-N 2.85Å; D92-R95 PolarHBondContact O-N 2.74Å; I93-R95 PolarHBondContact O-N 2.95Å; R95-C97 VanDerWaalsContact C-N 3.29Å; R95-C97 PolarHBondContact O-N 3.38Å; R95-Q98 PolarHBondContact O-N 3Å; R95-Q98 VanDerWaalsContact O-N 3.13Å
96R97.2Very high97.8Very high161 Ų16146.2 Ų46.261%0.60821%0.205SC*.Hα-helixtrans-60.6-38.8179.5-72.2174.8-166-162.45.9112.4D92 I93 Q98D92-R96 VanDerWaalsContact CG-NE 3.31Å; D92-R96 VanDerWaalsContact CG-NH2 3.28Å; D92-R96 VanDerWaalsContact O-CG 3.29Å; D92-R96 WeakPolarHBondContact O-CG 3.32Å; D92-R96 PolarHBondContact O-N 3.44Å; D92-R96 IonicContact OD1-CZ 3.33Å; D92-R96 IonicContact OD1-NE 2.83Å; D92-R96 PolarHBondContact OD1-NE 3.36Å; D92-R96 IonicContact OD1-NH2 3.06Å; D92-R96 PolarHBondContact OD1-NH2 2.88Å; D92-R96 IonicContact OD2-CZ 3.04Å; D92-R96 IonicContact OD2-NE 3.19Å; D92-R96 PolarHBondContact OD2-NE 3.11Å; D92-R96 IonicContact OD2-NH1 3.86Å; D92-R96 IonicContact OD2-NH2 2.7Å; D92-R96 PolarHBondContact OD2-NH2 3.08Å; I93-R96 PolarHBondContact O-N 3.14Å; R96-Q98 VanDerWaalsContact C-N 3.27Å; R96-Q98 PolarHBondContact O-N 3.4Å
97C96.8Very high97.7Very high5 Ų545.3 Ų45.33%0.03421%0.208CC..Hα-helixtrans-80.8-10.7-179.5-59.50000113.2K28 I53 Y73 I93 R95 A99K28-C97 VanDerWaalsContact CD-O 3.27Å; K28-C97 WeakPolarHBondContact CD-O 3.36Å; K28-C97 WeakPolarHBondContact CE-O 3.48Å; K28-C97 PolarHBondContact NZ-O 3.45Å; I53-C97 HydrophobicContact CD1-CB 3.43Å; I53-C97 VanDerWaalsContact CD1-CB 3.43Å; I53-C97 HydrophobicContact CG1-CB 4.3Å; Y73-C97 WeakPolarHBondContact CE2-SG 3.46Å; I93-C97 WeakPolarHBondContact O-CB 3.48Å; I93-C97 PolarHBondContact O-N 2.9Å; I93-C97 PolarHBondContact O-SG 3.02Å; R95-C97 VanDerWaalsContact C-N 3.29Å; R95-C97 PolarHBondContact O-N 3.38Å; C97-A99 VanDerWaalsContact C-N 3.32Å
98Q97.1Very high97.6Very high158 Ų15845.9 Ų45.974%0.73821%0.21SC*.THydrogen-bonded Turntrans53.950.4-169.2-56.4175.2-32.500110.8A94 R95 R96A94-Q98 PolarHBondContact O-N 2.98Å; A94-Q98 VanDerWaalsContact O-N 3.1Å; R95-Q98 PolarHBondContact O-N 3Å; R95-Q98 VanDerWaalsContact O-N 3.13Å; R96-Q98 VanDerWaalsContact C-N 3.27Å; R96-Q98 PolarHBondContact O-N 3.4Å
99A98.3Very high97.5Very high12 Ų1238.2 Ų38.210%0.09917%0.174CC..  trans-65141.7173.900000110L30 I53 A94 C97 L124L30-A99 HydrophobicContact CB-CB 4.09Å; I53-A99 HydrophobicContact CD1-CB 4.02Å; A94-A99 HydrophobicContact CB-CB 4.21Å; A94-A99 PolarHBondContact O-N 2.87Å; C97-A99 VanDerWaalsContact C-N 3.32Å; A99-L124 HydrophobicContact CB-CD2 4.21Å; A99-L124 WeakPolarHBondContact O-CD2 3.13Å
100D98.3Very high97.5Very high40 Ų4034.4 Ų34.421%0.21416%0.16CC..SBendtrans-85.3-34.7173.2-60.1-59.9000111.1I26 K27 K28 I125I26-D100 HydrophobicContact CG2-CB 4.4Å; K27-D100 WeakPolarHBondContact CA-OD2 3.49Å; K27-D100 WeakPolarHBondContact CB-OD2 3.38Å; K27-D100 PolarHBondContact N-OD2 2.88Å; K28-D100 PolarHBondContact N-OD2 2.93Å; K28-D100 PolarHBondContact O-N 2.85Å; D100-I125 PolarHBondContact O-N 2.79Å
101A98.6Very high97.3Very high0 Ų038.1 Ų38.10%018%0.177CC..EExtended strand (participates in β ladder)trans-145.3156.3-17200000112.5I26 K28 L29 L30 I125 V127I26-A101 HydrophobicContact CD1-CB 3.76Å; I26-A101 HydrophobicContact CG1-CB 3.9Å; I26-A101 HydrophobicContact CG2-CB 3.87Å; K28-A101 PolarHBondContact O-N 3.46Å; L29-A101 HydrophobicContact CD1-CB 3.74Å; L30-A101 PolarHBondContact N-O 3.17Å; A101-I125 CarbonylContact C-O 3.38Å; A101-I125 WeakPolarHBondContact CA-O 3.4Å; A101-I125 HydrophobicContact CB-CB 3.78Å; A101-I125 HydrophobicContact CB-CG2 4.23Å; A101-I125 WeakPolarHBondContact CB-O 3.42Å; A101-V127 HydrophobicContact CB-CG2 4.01Å
102I98.7Very high97.1Very high0 Ų039.7 Ų39.70%019%0.186CC..EExtended strand (participates in β ladder)trans-117123.9170.1-60.3-176.9000109.2L30 S32 I90 F91 A94 F115 L124 I125 V127L30-I102 HydrophobicContact CB-CG1 4.3Å; L30-I102 HydrophobicContact CD2-CD1 4.37Å; L30-I102 HydrophobicContact CD2-CG1 4.16Å; L30-I102 HydrophobicContact CD2-CG2 4Å; L30-I102 CarbonylContact O-C 3.56Å; L30-I102 VanDerWaalsContact O-CA 3.28Å; L30-I102 WeakPolarHBondContact O-CA 3.49Å; S32-I102 WeakPolarHBondContact OG-CG2 3.38Å; I90-I102 HydrophobicContact CG2-CD1 3.97Å; F91-I102 HydrophobicContact CD1-CD1 4.31Å; F91-I102 HydrophobicContact CE1-CD1 4.14Å; A94-I102 HydrophobicContact CB-CD1 4.22Å; I102-F115 HydrophobicContact CD1-CZ 4.08Å; I102-F115 HydrophobicContact CG2-CE1 4.18Å; I102-F115 HydrophobicContact CG2-CZ 4.15Å; I102-L124 HydrophobicContact CD1-CD1 3.87Å; I102-L124 HydrophobicContact CG1-CD1 4.37Å; I102-I125 PolarHBondContact N-O 3.47Å; I102-V127 PolarHBondContact O-N 3.12Å
103H98.8Very high97Very high0 Ų038.8 Ų38.80%018%0.183CC..EExtended strand (participates in β ladder)trans-98.5115.7167.9-161.7-60000110.1L29 L30 I31 S32 I41 G105 V127 Q337L29-H103 HydrophobicContact CD1-CB 4.01Å; L29-H103 HydrophobicContact CD2-CB 4.15Å; L29-H103 HydrophobicContact CG-CB 4.25Å; L30-H103 PolarHBondContact O-N 3.32Å; I31-H103 WeakPolarHBondContact CA-O 3.39Å; S32-H103 PolarHBondContact N-O 2.84Å; I41-H103 HydrophobicContact CD1-CB 4.4Å; I41-H103 WeakPolarHBondContact CD1-ND1 3.42Å; I41-H103 HydrophobicContact CG2-CB 4.14Å; H103-G105 PolarHBondContact ND1-N 3.42Å; H103-V127 HydrophobicContact CB-CB 4.28Å; H103-V127 HydrophobicContact CB-CG2 4.44Å; H103-V127 VanDerWaalsContact CD2-CG1 3.46Å; H103-V127 WeakPolarHBondContact CD2-CG1 3.39Å; H103-Q337 PolarHBondContact NE2-OE1 3.22Å
104P98.4Very high97Very high5 Ų542.2 Ų42.23%0.03221%0.205CC..  trans-82.8-17.3-177.136.1-39.6000113.5S32 N33 Y106 F126 V127S32-P104 WeakPolarHBondContact OG-CA 3.46Å; N33-P104 WeakPolarHBondContact CB-O 3.27Å; N33-P104 PolarHBondContact ND2-O 3.28Å; P104-Y106 PolarHBondContact O-N 2.92Å; P104-F126 HydrophobicContact CB-CE2 4.12Å; P104-F126 HydrophobicContact CB-CZ 4.37Å; P104-F126 HydrophobicContact CG-CE2 3.74Å; P104-F126 HydrophobicContact CG-CZ 3.65Å; P104-V127 WeakPolarHBondContact CD-O 3.48Å
105G98.1Very high97Very high2 Ų242.2 Ų42.22%0.02120%0.204CC..  trans70-127.6-173.900000110H103 S110H103-G105 PolarHBondContact ND1-N 3.42Å; G105-S110 WeakPolarHBondContact O-CB 3.33Å
106Y97Very high97Very high33 Ų3335 Ų3513%0.12918%0.177CC..SBendtrans-131.6155.3174.255.5-114.5000111.1N33 E36 I37 P104 L318 V320N33-Y106 PolarHBondContact ND2-N 3.28Å; N33-Y106 PolarHBondContact ND2-O 3.02Å; E36-Y106 WeakPolarHBondContact CG-OH 3.12Å; E36-Y106 PolarHBondContact OE1-OH 2.59Å; I37-Y106 HydrophobicContact CB-CD1 4.08Å; I37-Y106 HydrophobicContact CB-CE1 3.39Å; I37-Y106 HydrophobicContact CB-CE2 4.24Å; I37-Y106 VanDerWaalsContact CB-CZ 3.47Å; I37-Y106 HydrophobicContact CD1-CD1 3.84Å; I37-Y106 HydrophobicContact CD1-CE1 3.65Å; I37-Y106 HydrophobicContact CG1-CD1 3.67Å; I37-Y106 HydrophobicContact CG1-CE1 3.48Å; I37-Y106 VanDerWaalsContact CG1-CE1 3.48Å; I37-Y106 HydrophobicContact CG1-CG 4.4Å; I37-Y106 HydrophobicContact CG2-CE1 4.03Å; I37-Y106 HydrophobicContact CG2-CE2 3.96Å; P104-Y106 PolarHBondContact O-N 2.92Å; Y106-L318 WeakPolarHBondContact CB-O 3.38Å; Y106-V320 HydrophobicContact CD1-CB 4.5Å; Y106-V320 HydrophobicContact CD1-CG2 3.93Å; Y106-V320 HydrophobicContact CD2-CG2 3.86Å; Y106-V320 HydrophobicContact CE1-CB 4.17Å; Y106-V320 HydrophobicContact CE1-CG1 4.23Å; Y106-V320 HydrophobicContact CE1-CG2 3.85Å; Y106-V320 HydrophobicContact CE2-CG2 3.83Å; Y106-V320 HydrophobicContact CG-CG2 3.95Å
107G93.2Very high97Very high32 Ų3230.6 Ų30.633%0.3316%0.164SC..SBendtrans64.9-172.9-170.700000112.5L109 S110G107-L109 PolarHBondContact O-N 2.54Å; G107-S110 PolarHBondContact N-OG 2.77Å; G107-S110 WeakPolarHBondContact O-CB 3.24Å; G107-S110 PolarHBondContact O-N 3.46Å; G107-S110 PolarHBondContact O-OG 2.82Å; G107-S110 VanDerWaalsContact O-OG 3.05Å
108F95.2Very high97.1Very high63 Ų6331 Ų3128%0.27617%0.168SC..THydrogen-bonded Turntrans50-110.7-173.3-58.9-58.7000112.7N33 R34 A80 Y84 L85 Y411N33-F108 WeakPolarHBondContact OD1-CD2 3.44Å; N33-F108 WeakPolarHBondContact OD1-CE2 3.18Å; R34-F108 HydrophobicContact CG-CE2 4.01Å; R34-F108 HydrophobicContact CG-CZ 4.4Å; A80-F108 HydrophobicContact CB-CD1 4.43Å; A80-F108 HydrophobicContact CB-CE1 3.78Å; Y84-F108 HydrophobicContact CD2-CZ 4.27Å; Y84-F108 HydrophobicContact CG-CE2 4.31Å; Y84-F108 HydrophobicContact CG-CZ 4.25Å; L85-F108 HydrophobicContact CD2-CB 3.95Å; L85-F108 HydrophobicContact CD2-CD1 4.06Å; L85-F108 HydrophobicContact CG-CD1 4.25Å; F108-Y411 HydrophobicContact CZ-CD1 4.34Å
109L96.7Very high97.1Very high2 Ų223.5 Ų23.51%0.0113%0.133CC..THydrogen-bonded Turntrans-95.73.3-174.8-62.1172.2000113.4Y84 L85 Q87 I90 G107 E111 N112 F115Y84-L109 WeakPolarHBondContact O-CD1 3.49Å; L85-L109 HydrophobicContact CD2-CD2 4.08Å; L85-L109 HydrophobicContact CD2-CG 4.27Å; Q87-L109 HydrophobicContact CG-CD1 4.13Å; Q87-L109 HydrophobicContact CG-CD2 3.91Å; I90-L109 HydrophobicContact CD1-CD1 3.46Å; I90-L109 VanDerWaalsContact CD1-CD1 3.46Å; G107-L109 PolarHBondContact O-N 2.54Å; L109-E111 VanDerWaalsContact C-N 3.27Å; L109-E111 PolarHBondContact O-N 3.02Å; L109-N112 HydrophobicContact CD2-CB 4.24Å; L109-N112 PolarHBondContact O-N 2.99Å; L109-F115 HydrophobicContact CB-CB 4.47Å; L109-F115 HydrophobicContact CB-CD1 3.66Å; L109-F115 HydrophobicContact CB-CE1 3.99Å; L109-F115 HydrophobicContact CB-CG 4.01Å; L109-F115 HydrophobicContact CD1-CD1 4.21Å; L109-F115 HydrophobicContact CD1-CD2 3.87Å; L109-F115 HydrophobicContact CD1-CE1 4.13Å; L109-F115 HydrophobicContact CD1-CE2 3.78Å; L109-F115 HydrophobicContact CD1-CG 4.07Å; L109-F115 HydrophobicContact CD1-CZ 3.91Å; L109-F115 HydrophobicContact CD2-CB 4.38Å; L109-F115 HydrophobicContact CD2-CG 4.37Å; L109-F115 HydrophobicContact CG-CD1 4.45Å; L109-F115 HydrophobicContact CG-CG 4.38Å
110S96.8Very high97Very high2 Ų227.9 Ų27.91%0.01416%0.158CC..THydrogen-bonded Turntrans-63.5-28.6-174.565.60000114.9G105 G107 M134 R317G105-S110 WeakPolarHBondContact O-CB 3.33Å; G107-S110 PolarHBondContact N-OG 2.77Å; G107-S110 WeakPolarHBondContact O-CB 3.24Å; G107-S110 PolarHBondContact O-N 3.46Å; G107-S110 PolarHBondContact O-OG 2.82Å; G107-S110 VanDerWaalsContact O-OG 3.05Å; S110-M134 WeakPolarHBondContact O-CE 3.49Å; S110-R317 WeakPolarHBondContact OG-CD 3.5Å
111E93.4Very high96.9Very high78 Ų7832.8 Ų32.836%0.36418%0.18SC..THydrogen-bonded Turntrans-115.418-179.6-61.4179.9110.600110.9L109 A113 T316 R317L109-E111 VanDerWaalsContact C-N 3.27Å; L109-E111 PolarHBondContact O-N 3.02Å; E111-A113 PolarHBondContact O-N 2.93Å; E111-T316 PolarHBondContact OE1-N 3.27Å; E111-R317 VanDerWaalsContact CD-CD 3.49Å; E111-R317 VanDerWaalsContact CD-NE 3.33Å; E111-R317 HydrophobicContact CG-CB 4.17Å; E111-R317 HydrophobicContact CG-CG 3.94Å; E111-R317 IonicContact OE1-NE 3.72Å; E111-R317 WeakPolarHBondContact OE2-CD 3.31Å; E111-R317 IonicContact OE2-CZ 3.89Å; E111-R317 IonicContact OE2-NE 3.31Å; E111-R317 PolarHBondContact OE2-NE 3.45Å
112N94.9Very high96.8Very high51 Ų5136.2 Ų36.227%0.27320%0.198SC..  trans-90.199.1178.1-171.3-45.7000110.1Q87 L109 T114 F115 A116Q87-N112 PolarHBondContact NE2-ND2 2.69Å; L109-N112 HydrophobicContact CD2-CB 4.24Å; L109-N112 PolarHBondContact O-N 2.99Å; N112-T114 VanDerWaalsContact C-N 3.26Å; N112-T114 PolarHBondContact O-N 3.4Å; N112-T114 WeakPolarHBondContact OD1-CB 3.41Å; N112-T114 PolarHBondContact OD1-N 3.08Å; N112-T114 VanDerWaalsContact OD1-N 3.12Å; N112-F115 HydrophobicContact CB-CB 3.89Å; N112-F115 WeakPolarHBondContact O-CB 3.2Å; N112-F115 PolarHBondContact O-N 2.96Å; N112-F115 VanDerWaalsContact O-N 3.09Å; N112-F115 PolarHBondContact OD1-N 3.06Å; N112-A116 PolarHBondContact O-N 2.66Å
113A96.4Very high96.7Very high12 Ų1238.5 Ų38.510%0.09922%0.221CC..Hα-helixtrans-57.7-36.6-179.300000113.7E111 A116 E117 S131 M134 R135E111-A113 PolarHBondContact O-N 2.93Å; A113-A116 PolarHBondContact O-N 3.26Å; A113-E117 WeakPolarHBondContact O-CB 3.43Å; A113-E117 PolarHBondContact O-N 3.05Å; A113-S131 WeakPolarHBondContact O-CB 3.23Å; A113-M134 HydrophobicContact CB-CB 3.81Å; A113-M134 HydrophobicContact CB-SD 4.4Å; A113-R135 HydrophobicContact CB-CG 3.54Å
114T96.8Very high96.6Very high75 Ų7539.2 Ų39.246%0.4623%0.225SC..Hα-helixtrans-67.1-38.6177.9-590000111.2N112 E117 A118N112-T114 VanDerWaalsContact C-N 3.26Å; N112-T114 PolarHBondContact O-N 3.4Å; N112-T114 WeakPolarHBondContact OD1-CB 3.41Å; N112-T114 PolarHBondContact OD1-N 3.08Å; N112-T114 VanDerWaalsContact OD1-N 3.12Å; T114-E117 PolarHBondContact O-N 2.98Å; T114-A118 VanDerWaalsContact O-CB 3.29Å; T114-A118 WeakPolarHBondContact O-CB 3.36Å; T114-A118 PolarHBondContact O-N 3.39Å
115F97.6Very high96.6Very high0 Ų040.2 Ų40.20%023%0.23CC..Hα-helixtrans-66.3-43.8175.1-179.3-108.4000112Q87 I90 F91 I102 L109 N112 E117 A118 C119 F126Q87-F115 HydrophobicContact CB-CD2 4.01Å; Q87-F115 HydrophobicContact CB-CE2 4.34Å; Q87-F115 HydrophobicContact CG-CD2 3.68Å; Q87-F115 HydrophobicContact CG-CE2 4.33Å; Q87-F115 HydrophobicContact CG-CG 4.49Å; I90-F115 HydrophobicContact CG2-CE2 4.23Å; I90-F115 HydrophobicContact CG2-CZ 4.03Å; F91-F115 HydrophobicContact CE1-CD2 4.44Å; F91-F115 AromaticContact CE1-CE2 3.88Å; F91-F115 HydrophobicContact CE1-CE2 3.88Å; F91-F115 HydrophobicContact CE1-CZ 4.41Å; F91-F115 AromaticContact CE2-CD2 3.86Å; F91-F115 HydrophobicContact CE2-CD2 3.86Å; F91-F115 AromaticContact CE2-CE2 3.83Å; F91-F115 HydrophobicContact CE2-CE2 3.83Å; F91-F115 AromaticContact CZ-CD2 3.55Å; F91-F115 HydrophobicContact CZ-CD2 3.55Å; F91-F115 AromaticContact CZ-CE2 3.4Å; F91-F115 HydrophobicContact CZ-CE2 3.4Å; F91-F115 VanDerWaalsContact CZ-CE2 3.4Å; F91-F115 HydrophobicContact CZ-CZ 4.27Å; I102-F115 HydrophobicContact CD1-CZ 4.08Å; I102-F115 HydrophobicContact CG2-CE1 4.18Å; I102-F115 HydrophobicContact CG2-CZ 4.15Å; L109-F115 HydrophobicContact CB-CB 4.47Å; L109-F115 HydrophobicContact CB-CD1 3.66Å; L109-F115 HydrophobicContact CB-CE1 3.99Å; L109-F115 HydrophobicContact CB-CG 4.01Å; L109-F115 HydrophobicContact CD1-CD1 4.21Å; L109-F115 HydrophobicContact CD1-CD2 3.87Å; L109-F115 HydrophobicContact CD1-CE1 4.13Å; L109-F115 HydrophobicContact CD1-CE2 3.78Å; L109-F115 HydrophobicContact CD1-CG 4.07Å; L109-F115 HydrophobicContact CD1-CZ 3.91Å; L109-F115 HydrophobicContact CD2-CB 4.38Å; L109-F115 HydrophobicContact CD2-CG 4.37Å; L109-F115 HydrophobicContact CG-CD1 4.45Å; L109-F115 HydrophobicContact CG-CG 4.38Å; N112-F115 HydrophobicContact CB-CB 3.89Å; N112-F115 WeakPolarHBondContact O-CB 3.2Å; N112-F115 PolarHBondContact O-N 2.96Å; N112-F115 VanDerWaalsContact O-N 3.09Å; N112-F115 PolarHBondContact OD1-N 3.06Å; F115-E117 VanDerWaalsContact C-N 3.33Å; F115-E117 PolarHBondContact O-N 3.06Å; F115-A118 PolarHBondContact O-N 3.02Å; F115-C119 PolarHBondContact O-N 3.46Å; F115-C119 PolarHBondContact O-SG 3.34Å; F115-F126 HydrophobicContact CD1-CD2 4.38Å; F115-F126 AromaticContact CD1-CE2 3.97Å; F115-F126 HydrophobicContact CD1-CE2 3.97Å; F115-F126 HydrophobicContact CE1-CD2 4.39Å; F115-F126 HydrophobicContact CE1-CE2 4.16Å
116A97.9Very high96.6Very high3 Ų341 Ų413%0.02523%0.233CC..Hα-helixtrans-60.5-42.9175.800000111.7N112 A113 C119 V120 F126 M134N112-A116 PolarHBondContact O-N 2.66Å; A113-A116 PolarHBondContact O-N 3.26Å; A116-C119 WeakPolarHBondContact O-CB 3.43Å; A116-C119 PolarHBondContact O-N 3.13Å; A116-V120 PolarHBondContact O-N 3.36Å; A116-F126 HydrophobicContact CB-CD1 3.79Å; A116-F126 HydrophobicContact CB-CD2 4.03Å; A116-F126 HydrophobicContact CB-CE1 3.88Å; A116-F126 HydrophobicContact CB-CE2 4.11Å; A116-F126 HydrophobicContact CB-CG 3.86Å; A116-F126 HydrophobicContact CB-CZ 4.03Å; A116-M134 HydrophobicContact CB-CE 4.27Å; A116-M134 HydrophobicContact CB-SD 3.95Å
117E98Very high96.6Very high70 Ų7039.5 Ų39.533%0.32723%0.227SC..Hα-helixtrans-62.6-44.5174.3-177.1167.5-158.300112A113 T114 F115 C119 V120 Q121 R135A113-E117 WeakPolarHBondContact O-CB 3.43Å; A113-E117 PolarHBondContact O-N 3.05Å; T114-E117 PolarHBondContact O-N 2.98Å; F115-E117 VanDerWaalsContact C-N 3.33Å; F115-E117 PolarHBondContact O-N 3.06Å; E117-C119 VanDerWaalsContact C-N 3.31Å; E117-C119 PolarHBondContact O-N 3.27Å; E117-V120 PolarHBondContact O-N 3.23Å; E117-Q121 WeakPolarHBondContact O-CG 3.35Å; E117-Q121 PolarHBondContact O-N 3.39Å; E117-R135 IonicContact OE2-CZ 2.71Å; E117-R135 IonicContact OE2-NH2 2.7Å; E117-R135 PolarHBondContact OE2-NH2 3.04Å
118A97.9Very high96.8Very high14 Ų1438.9 Ų38.912%0.11622%0.221CC..Hα-helixtrans-65.1-31.8177.300000113F91 T114 F115 Q121 N122F91-A118 HydrophobicContact CE2-CB 3.62Å; F91-A118 HydrophobicContact CZ-CB 3.54Å; T114-A118 VanDerWaalsContact O-CB 3.29Å; T114-A118 WeakPolarHBondContact O-CB 3.36Å; T114-A118 PolarHBondContact O-N 3.39Å; F115-A118 PolarHBondContact O-N 3.02Å; A118-Q121 PolarHBondContact O-N 3.42Å; A118-N122 WeakPolarHBondContact O-CB 3.19Å; A118-N122 PolarHBondContact O-N 2.94Å; A118-N122 PolarHBondContact O-ND2 2.77Å
119C98.1Very high96.9Very high0 Ų035.9 Ų35.90%021%0.208CC..Hα-helixtrans-58.4-50.8171.9-690000110.8F91 F115 A116 E117 Q121 N122 G123 L124 F126F91-C119 HydrophobicContact CE1-CB 4.35Å; F115-C119 PolarHBondContact O-N 3.46Å; F115-C119 PolarHBondContact O-SG 3.34Å; A116-C119 WeakPolarHBondContact O-CB 3.43Å; A116-C119 PolarHBondContact O-N 3.13Å; E117-C119 VanDerWaalsContact C-N 3.31Å; E117-C119 PolarHBondContact O-N 3.27Å; C119-Q121 VanDerWaalsContact C-N 3.33Å; C119-Q121 PolarHBondContact O-N 3.3Å; C119-N122 CarbonylContact O-C 3.55Å; C119-N122 PolarHBondContact O-N 2.77Å; C119-N122 VanDerWaalsContact O-N 3.09Å; C119-G123 PolarHBondContact O-N 3.31Å; C119-L124 CarbonylContact C-O 3.51Å; C119-L124 HydrophobicContact CB-CB 4.28Å; C119-L124 WeakPolarHBondContact O-CB 3.29Å; C119-L124 PolarHBondContact O-N 3.47Å; C119-F126 HydrophobicContact CB-CB 3.92Å; C119-F126 HydrophobicContact CB-CD2 4.49Å
120V95.9Very high96.9Very high104 Ų10438 Ų3863%0.6322%0.223SC*.Hα-helixtrans-61.2-43.5179.3178.20000110.9A116 E117 N122 G123A116-V120 PolarHBondContact O-N 3.36Å; E117-V120 PolarHBondContact O-N 3.23Å; V120-N122 PolarHBondContact O-N 3.06Å; V120-G123 PolarHBondContact O-N 2.91Å
121Q96.9Very high97Very high142 Ų14239.3 Ų39.366%0.66423%0.231SC*.Hα-helixtrans-61.8-29.3176.7-69.4173.2-2.300113.2E117 A118 C119 G123E117-Q121 WeakPolarHBondContact O-CG 3.35Å; E117-Q121 PolarHBondContact O-N 3.39Å; A118-Q121 PolarHBondContact O-N 3.42Å; C119-Q121 VanDerWaalsContact C-N 3.33Å; C119-Q121 PolarHBondContact O-N 3.3Å; Q121-G123 VanDerWaalsContact C-N 3.32Å
122N96.3Very high97.1Very high72 Ų7239.1 Ų39.139%0.38524%0.239SC..THydrogen-bonded Turntrans-89.49.8175.1-77.3-91.1000113.3F91 A118 C119 V120 L124F91-N122 HydrophobicContact CD1-CB 4.5Å; A118-N122 WeakPolarHBondContact O-CB 3.19Å; A118-N122 PolarHBondContact O-N 2.94Å; A118-N122 PolarHBondContact O-ND2 2.77Å; C119-N122 CarbonylContact O-C 3.55Å; C119-N122 PolarHBondContact O-N 2.77Å; C119-N122 VanDerWaalsContact O-N 3.09Å; V120-N122 PolarHBondContact O-N 3.06Å; N122-L124 HydrophobicContact CB-CD1 4.09Å; N122-L124 HydrophobicContact CB-CG 4.48Å; N122-L124 PolarHBondContact O-N 3.31Å
123G95.4Very high97.2Very high48 Ų4836.7 Ų36.750%0.49523%0.226SC..THydrogen-bonded Turntrans72.813.6178.900000114.8K24 C119 V120 Q121K24-G123 PolarHBondContact NZ-O 3.5Å; C119-G123 PolarHBondContact O-N 3.31Å; V120-G123 PolarHBondContact O-N 2.91Å; Q121-G123 VanDerWaalsContact C-N 3.32Å
124L97.6Very high97.1Very high16 Ų1636.3 Ų36.38%0.08422%0.222CC..PPolyproline II helixtrans-93.7143.6178.2-64.2160.8000110.3F91 A94 A99 I102 C119 N122F91-L124 HydrophobicContact CD1-CD1 3.78Å; F91-L124 HydrophobicContact CE1-CD1 4.06Å; A94-L124 HydrophobicContact CB-CD1 3.81Å; A94-L124 HydrophobicContact CB-CD2 4.19Å; A99-L124 HydrophobicContact CB-CD2 4.21Å; A99-L124 WeakPolarHBondContact O-CD2 3.13Å; I102-L124 HydrophobicContact CD1-CD1 3.87Å; I102-L124 HydrophobicContact CG1-CD1 4.37Å; C119-L124 CarbonylContact C-O 3.51Å; C119-L124 HydrophobicContact CB-CB 4.28Å; C119-L124 WeakPolarHBondContact O-CB 3.29Å; C119-L124 PolarHBondContact O-N 3.47Å; N122-L124 HydrophobicContact CB-CD1 4.09Å; N122-L124 HydrophobicContact CB-CG 4.48Å; N122-L124 PolarHBondContact O-N 3.31Å
125I98Very high97.1Very high26 Ų2638.8 Ų38.813%0.13322%0.223CC..EExtended strand (participates in β ladder)trans-78.6122.9168.7-63164.4000108.5K24 I26 D100 A101 I102 A341K24-I125 HydrophobicContact CB-CD1 4.15Å; K24-I125 HydrophobicContact CD-CD1 4.11Å; K24-I125 HydrophobicContact CG-CD1 4.2Å; I26-I125 HydrophobicContact CD1-CD1 4.49Å; I26-I125 HydrophobicContact CD1-CG2 4.47Å; I26-I125 HydrophobicContact CG1-CD1 3.93Å; D100-I125 PolarHBondContact O-N 2.79Å; A101-I125 CarbonylContact C-O 3.38Å; A101-I125 WeakPolarHBondContact CA-O 3.4Å; A101-I125 HydrophobicContact CB-CB 3.78Å; A101-I125 HydrophobicContact CB-CG2 4.23Å; A101-I125 WeakPolarHBondContact CB-O 3.42Å; I102-I125 PolarHBondContact N-O 3.47Å; I125-A341 HydrophobicContact CG2-CB 3.75Å; I125-A341 WeakPolarHBondContact CG2-O 3.23Å
126F98Very high96.9Very high19 Ų1939.4 Ų39.48%0.08323%0.228CC..EExtended strand (participates in β ladder)trans-84.7118.9167.2-179.5-99.1000109.4P104 F115 A116 C119 G128 M134P104-F126 HydrophobicContact CB-CE2 4.12Å; P104-F126 HydrophobicContact CB-CZ 4.37Å; P104-F126 HydrophobicContact CG-CE2 3.74Å; P104-F126 HydrophobicContact CG-CZ 3.65Å; F115-F126 HydrophobicContact CD1-CD2 4.38Å; F115-F126 AromaticContact CD1-CE2 3.97Å; F115-F126 HydrophobicContact CD1-CE2 3.97Å; F115-F126 HydrophobicContact CE1-CD2 4.39Å; F115-F126 HydrophobicContact CE1-CE2 4.16Å; A116-F126 HydrophobicContact CB-CD1 3.79Å; A116-F126 HydrophobicContact CB-CD2 4.03Å; A116-F126 HydrophobicContact CB-CE1 3.88Å; A116-F126 HydrophobicContact CB-CE2 4.11Å; A116-F126 HydrophobicContact CB-CG 3.86Å; A116-F126 HydrophobicContact CB-CZ 4.03Å; C119-F126 HydrophobicContact CB-CB 3.92Å; C119-F126 HydrophobicContact CB-CD2 4.49Å; F126-G128 VanDerWaalsContact C-N 3.35Å; F126-G128 PolarHBondContact O-N 2.79Å; F126-M134 HydrophobicContact CD1-CE 4.39Å; F126-M134 HydrophobicContact CE1-CE 3.28Å; F126-M134 HydrophobicContact CZ-CE 3.52Å
127V98.5Very high96.7Very high1 Ų139.9 Ų39.91%0.00623%0.23CC..SBendtrans-82.582.5179.4-173.10000109.8I26 L29 A101 I102 H103 P104 Q337 L338 A341I26-V127 HydrophobicContact CD1-CG2 4.34Å; L29-V127 HydrophobicContact CD1-CG2 4.08Å; A101-V127 HydrophobicContact CB-CG2 4.01Å; I102-V127 PolarHBondContact O-N 3.12Å; H103-V127 HydrophobicContact CB-CB 4.28Å; H103-V127 HydrophobicContact CB-CG2 4.44Å; H103-V127 VanDerWaalsContact CD2-CG1 3.46Å; H103-V127 WeakPolarHBondContact CD2-CG1 3.39Å; P104-V127 WeakPolarHBondContact CD-O 3.48Å; V127-Q337 HydrophobicContact CG1-CB 3.77Å; V127-L338 HydrophobicContact CG1-CD2 4.25Å; V127-L338 HydrophobicContact CG2-CD2 4.17Å; V127-A341 HydrophobicContact CB-CB 4.26Å; V127-A341 HydrophobicContact CG1-CB 4.02Å; V127-A341 HydrophobicContact CG2-CB 3.96Å
128G97.4Very high96.1Very high18 Ų1839.7 Ų39.719%0.18625%0.247CC..SBendtrans170.8-168.2-178.600000111.4F126 A293F126-G128 VanDerWaalsContact C-N 3.35Å; F126-G128 PolarHBondContact O-N 2.79Å; G128-A293 CarbonylContact C-O 3.53Å
129P97.2Very high95.4Very high1 Ų140.3 Ų40.31%0.00625%0.25CS..  trans-72.6167.5-179.730.7-34.9000112.2A133 M134 Y292 A293 T316P129-A133 HydrophobicContact CB-CB 4.27Å; P129-M134 HydrophobicContact CG-CE 3.65Å; P129-M134 HydrophobicContact CG-CG 4.03Å; P129-Y292 HydrophobicContact CB-CD2 3.94Å; P129-Y292 HydrophobicContact CB-CE1 4.21Å; P129-Y292 HydrophobicContact CB-CE2 3.5Å; P129-Y292 VanDerWaalsContact CB-CE2 3.5Å; P129-Y292 HydrophobicContact CB-CG 4.48Å; P129-Y292 HydrophobicContact CG-CE2 3.73Å; P129-Y292 WeakPolarHBondContact CG-OH 3.39Å; P129-A293 WeakPolarHBondContact CA-O 3.42Å; P129-T316 WeakPolarHBondContact CD-O 3.32Å; P129-T316 VanDerWaalsContact CG-O 3.23Å; P129-T316 WeakPolarHBondContact CG-O 3.38Å
130S96.7Very high94.7Very high47 Ų4741.9 Ų41.933%0.32926%0.257SS..  trans-65.6152.717663.20000112.1S132 A133 M134S130-S132 PolarHBondContact O-N 2.9Å; S130-S132 PolarHBondContact OG-OG 2.89Å; S130-A133 PolarHBondContact O-N 3.32Å; S130-A133 VanDerWaalsContact O-N 3.08Å; S130-A133 WeakPolarHBondContact OG-CB 3.36Å; S130-A133 PolarHBondContact OG-N 3.41Å; S130-M134 WeakPolarHBondContact O-CG 3.38Å; S130-M134 PolarHBondContact O-N 3.41Å
131S97.1Very high94.2Very high28 Ų2838 Ų3820%0.19623%0.233CC..Hα-helixtrans-58.4-32.6174.959.50000112.3A113 R135A113-S131 WeakPolarHBondContact O-CB 3.23Å; S131-R135 WeakPolarHBondContact O-CG 3.48Å; S131-R135 PolarHBondContact O-N 3.08Å
132S96.5Very high93.9Very high74 Ų7436.1 Ų36.152%0.51722%0.222SC..Hα-helixtrans-65.6-43.7174.353.90000112.4S130 R135 A136S130-S132 PolarHBondContact O-N 2.9Å; S130-S132 PolarHBondContact OG-OG 2.89Å; S132-R135 PolarHBondContact O-N 2.9Å; S132-A136 WeakPolarHBondContact O-CB 3.31Å; S132-A136 PolarHBondContact O-N 3.49Å
133A96.5Very high93.7Very high0 Ų032.9 Ų32.90%021%0.206CC..Hα-helixtrans-64.7-41.217700000111.3P129 S130 A136 M137 V290 Y292P129-A133 HydrophobicContact CB-CB 4.27Å; S130-A133 PolarHBondContact O-N 3.32Å; S130-A133 VanDerWaalsContact O-N 3.08Å; S130-A133 WeakPolarHBondContact OG-CB 3.36Å; S130-A133 PolarHBondContact OG-N 3.41Å; A133-A136 WeakPolarHBondContact O-CB 3.33Å; A133-A136 PolarHBondContact O-N 3.28Å; A133-M137 PolarHBondContact O-N 3.08Å; A133-M137 VanDerWaalsContact O-N 3.13Å; A133-V290 HydrophobicContact CB-CB 4.29Å; A133-V290 HydrophobicContact CB-CG2 4.23Å; A133-Y292 HydrophobicContact CB-CD2 4.19Å
134M95.8Very high93.4Very high5 Ų530.9 Ų30.93%0.02518%0.183CC..Hα-helixtrans-60-47.6174.1-67.6-179172.800112.3S110 A113 A116 F126 P129 S130 A136 M137 G138S110-M134 WeakPolarHBondContact O-CE 3.49Å; A113-M134 HydrophobicContact CB-CB 3.81Å; A113-M134 HydrophobicContact CB-SD 4.4Å; A116-M134 HydrophobicContact CB-CE 4.27Å; A116-M134 HydrophobicContact CB-SD 3.95Å; F126-M134 HydrophobicContact CD1-CE 4.39Å; F126-M134 HydrophobicContact CE1-CE 3.28Å; F126-M134 HydrophobicContact CZ-CE 3.52Å; P129-M134 HydrophobicContact CG-CE 3.65Å; P129-M134 HydrophobicContact CG-CG 4.03Å; S130-M134 WeakPolarHBondContact O-CG 3.38Å; S130-M134 PolarHBondContact O-N 3.41Å; M134-A136 VanDerWaalsContact C-N 3.29Å; M134-A136 PolarHBondContact O-N 3.31Å; M134-M137 PolarHBondContact O-N 3.4Å; M134-G138 PolarHBondContact O-N 3.27Å
135R94.9Very high93.2Very high127 Ų12735.3 Ų35.348%0.47920%0.204SC..Hα-helixtrans-64.8-33177.3-69.9177.5-163.2-97.610.3112.4A113 E117 S131 S132 M137A113-R135 HydrophobicContact CB-CG 3.54Å; E117-R135 IonicContact OE2-CZ 2.71Å; E117-R135 IonicContact OE2-NH2 2.7Å; E117-R135 PolarHBondContact OE2-NH2 3.04Å; S131-R135 WeakPolarHBondContact O-CG 3.48Å; S131-R135 PolarHBondContact O-N 3.08Å; S132-R135 PolarHBondContact O-N 2.9Å; R135-M137 VanDerWaalsContact C-N 3.35Å
136A94.5Very high93Very high13 Ų1335.9 Ų35.911%0.10721%0.207CC..Hα-helixtrans-66.1-38.6178.200000111.9S132 A133 M134 I146 V290S132-A136 WeakPolarHBondContact O-CB 3.31Å; S132-A136 PolarHBondContact O-N 3.49Å; A133-A136 WeakPolarHBondContact O-CB 3.33Å; A133-A136 PolarHBondContact O-N 3.28Å; M134-A136 VanDerWaalsContact C-N 3.29Å; M134-A136 PolarHBondContact O-N 3.31Å; A136-I146 HydrophobicContact CB-CD1 3.76Å; A136-V290 HydrophobicContact CB-CB 4.44Å; A136-V290 HydrophobicContact CB-CG1 3.81Å
137M93Very high92.9Very high13 Ų1335 Ų356%0.06420%0.203CC..Hα-helixtrans-98.2-5.7-176.4-58-48.6-65.400114.4A133 M134 R135 A143 M147 V290 F311 M314 T316A133-M137 PolarHBondContact O-N 3.08Å; A133-M137 VanDerWaalsContact O-N 3.13Å; M134-M137 PolarHBondContact O-N 3.4Å; R135-M137 VanDerWaalsContact C-N 3.35Å; M137-A143 HydrophobicContact CE-CB 3.72Å; M137-A143 HydrophobicContact SD-CB 4.27Å; M137-M147 HydrophobicContact CE-CE 3.65Å; M137-M147 HydrophobicContact CE-CG 4.4Å; M137-M147 HydrophobicContact CE-SD 4.25Å; M137-M147 HydrophobicContact SD-CE 3.83Å; M137-V290 HydrophobicContact CG-CG1 4.3Å; M137-V290 HydrophobicContact SD-CG1 3.83Å; M137-F311 HydrophobicContact CE-CE2 4.18Å; M137-F311 HydrophobicContact CE-CZ 3.59Å; M137-M314 HydrophobicContact CB-CB 4.39Å; M137-M314 HydrophobicContact CE-CB 3.44Å; M137-M314 VanDerWaalsContact CE-CB 3.44Å; M137-M314 HydrophobicContact CE-CG 4.34Å; M137-M314 HydrophobicContact CE-SD 3.94Å; M137-M314 HydrophobicContact CG-CB 4.24Å; M137-M314 HydrophobicContact CG-CG 4.46Å; M137-M314 HydrophobicContact CG-SD 3.72Å; M137-M314 HydrophobicContact SD-SD 4.2Å; M137-T316 HydrophobicContact CB-CG2 3.79Å; M137-T316 HydrophobicContact CG-CG2 4.25Å
138G85.8Confident92.7Very high66 Ų6639.1 Ų39.168%0.6822%0.224SC*.SBendtrans-74.5-23.4-175.200000115.8M134M134-G138 PolarHBondContact O-N 3.27Å
139S83.2Confident92.7Very high27 Ų2742.7 Ų42.719%0.18925%0.252CS..SBendtrans-113.3136.8173.487.90000111.4D141 K142 A143S139-D141 VanDerWaalsContact CB-OD1 3.27Å; S139-D141 WeakPolarHBondContact CB-OD1 3.2Å; S139-D141 PolarHBondContact O-N 3.08Å; S139-D141 PolarHBondContact OG-OD1 2.65Å; S139-K142 PolarHBondContact O-N 3.01Å; S139-K142 WeakPolarHBondContact OG-CB 3.12Å; S139-A143 WeakPolarHBondContact O-CB 3.48Å; S139-A143 PolarHBondContact O-N 3.44Å
140K84.4Confident92.6Very high33 Ų3344.1 Ų44.114%0.14326%0.264CS..Hα-helixtrans-66.8-35.1-170.7-70.5-177.6175.5176.40113.4K144 V184 S186 I222K140-K144 WeakPolarHBondContact O-CB 3.48Å; K140-K144 VanDerWaalsContact O-CG 3.27Å; K140-K144 WeakPolarHBondContact O-CG 3.39Å; K140-K144 PolarHBondContact O-N 3.37Å; K140-K144 VanDerWaalsContact O-N 3.08Å; K140-V184 PolarHBondContact N-O 3.22Å; K140-S186 WeakPolarHBondContact CE-O 3.21Å; K140-S186 WeakPolarHBondContact CE-OG 3.47Å; K140-S186 PolarHBondContact NZ-O 3.09Å; K140-S186 PolarHBondContact NZ-OG 3.09Å; K140-I222 HydrophobicContact CB-CD1 3.58Å
141D85.2Confident92.6Very high23 Ų2344.9 Ų44.912%0.12328%0.28CS..Hα-helixtrans-64-53.1175.755.4-15.6000111.2S139 K144 E145 H159 V184 R220S139-D141 VanDerWaalsContact CB-OD1 3.27Å; S139-D141 WeakPolarHBondContact CB-OD1 3.2Å; S139-D141 PolarHBondContact O-N 3.08Å; S139-D141 PolarHBondContact OG-OD1 2.65Å; D141-K144 WeakPolarHBondContact O-CB 3.37Å; D141-K144 PolarHBondContact O-N 2.94Å; D141-E145 WeakPolarHBondContact O-CG 3.31Å; D141-E145 PolarHBondContact O-N 3.03Å; D141-E145 VanDerWaalsContact O-N 3.08Å; D141-H159 HydrophobicContact CB-CB 4.31Å; D141-V184 HydrophobicContact CB-CG1 4.28Å; D141-V184 VanDerWaalsContact CG-CG1 3.47Å; D141-V184 VanDerWaalsContact OD1-CG1 3.29Å; D141-V184 WeakPolarHBondContact OD1-CG1 3.42Å; D141-R220 IonicContact OD2-NH1 2.99Å; D141-R220 PolarHBondContact OD2-NH1 2.84Å; D141-R220 VanDerWaalsContact OD2-NH1 3.16Å
142K89.3Confident92.6Very high101 Ų10143.7 Ų43.744%0.43927%0.271SS..Hα-helixtrans-65.7-42.3179.7-170.2173.2-175.6176.30112.4S139 K144 E145 I146S139-K142 PolarHBondContact O-N 3.01Å; S139-K142 WeakPolarHBondContact OG-CB 3.12Å; K142-K144 VanDerWaalsContact C-N 3.3Å; K142-K144 PolarHBondContact O-N 2.94Å; K142-E145 PolarHBondContact O-N 2.94Å; K142-I146 HydrophobicContact CG-CD1 4.16Å; K142-I146 VanDerWaalsContact O-CG1 3.31Å; K142-I146 WeakPolarHBondContact O-CG1 3.4Å; K142-I146 PolarHBondContact O-N 2.9Å; K142-I146 VanDerWaalsContact O-N 3.08Å
143A92.2Very high92.6Very high4 Ų442.3 Ų42.33%0.03326%0.26CS..Hα-helixtrans-56.5-46.317500000110.7M137 S139 E145 I146 M147 F311M137-A143 HydrophobicContact CE-CB 3.72Å; M137-A143 HydrophobicContact SD-CB 4.27Å; S139-A143 WeakPolarHBondContact O-CB 3.48Å; S139-A143 PolarHBondContact O-N 3.44Å; A143-E145 PolarHBondContact O-N 3.42Å; A143-I146 PolarHBondContact O-N 3.46Å; A143-M147 WeakPolarHBondContact O-CB 3.31Å; A143-M147 VanDerWaalsContact O-CG 3.22Å; A143-M147 WeakPolarHBondContact O-CG 3.33Å; A143-M147 PolarHBondContact O-N 2.8Å; A143-F311 HydrophobicContact CB-CE1 4.41Å
144K90.5Very high92.5Very high6 Ų643.4 Ų43.43%0.02627%0.267CS..Hα-helixtrans-61.3-44177.2-83.4174.6170-120.60113.6K140 D141 K142 I146 M147 L148 E224K140-K144 WeakPolarHBondContact O-CB 3.48Å; K140-K144 VanDerWaalsContact O-CG 3.27Å; K140-K144 WeakPolarHBondContact O-CG 3.39Å; K140-K144 PolarHBondContact O-N 3.37Å; K140-K144 VanDerWaalsContact O-N 3.08Å; D141-K144 WeakPolarHBondContact O-CB 3.37Å; D141-K144 PolarHBondContact O-N 2.94Å; K142-K144 VanDerWaalsContact C-N 3.3Å; K142-K144 PolarHBondContact O-N 2.94Å; K144-I146 VanDerWaalsContact C-N 3.31Å; K144-I146 PolarHBondContact O-N 3Å; K144-M147 PolarHBondContact O-N 2.73Å; K144-L148 WeakPolarHBondContact O-CB 3.43Å; K144-L148 WeakPolarHBondContact O-CG 3.36Å; K144-L148 PolarHBondContact O-N 2.89Å; K144-E224 WeakPolarHBondContact CE-OE1 3.41Å; K144-E224 IonicContact NZ-OE1 2.72Å; K144-E224 PolarHBondContact NZ-OE1 2.76Å
145E92.1Very high92.4Very high109 Ų10943.5 Ų43.551%0.50927%0.268SS..Hα-helixtrans-58.7-44.7177.2-71.8176177.500111.4D141 K142 A143 A149D141-E145 WeakPolarHBondContact O-CG 3.31Å; D141-E145 PolarHBondContact O-N 3.03Å; D141-E145 VanDerWaalsContact O-N 3.08Å; K142-E145 PolarHBondContact O-N 2.94Å; A143-E145 PolarHBondContact O-N 3.42Å; E145-A149 WeakPolarHBondContact O-CB 3.35Å; E145-A149 PolarHBondContact O-N 3.49Å
146I95.3Very high92.2Very high38 Ų3841.7 Ų41.720%0.19527%0.268CS..Hα-helixtrans-64.5-44.9177.1-62.1169.3000110.6A136 K142 A143 K144 A149 A150 S289 V290A136-I146 HydrophobicContact CB-CD1 3.76Å; K142-I146 HydrophobicContact CG-CD1 4.16Å; K142-I146 VanDerWaalsContact O-CG1 3.31Å; K142-I146 WeakPolarHBondContact O-CG1 3.4Å; K142-I146 PolarHBondContact O-N 2.9Å; K142-I146 VanDerWaalsContact O-N 3.08Å; A143-I146 PolarHBondContact O-N 3.46Å; K144-I146 VanDerWaalsContact C-N 3.31Å; K144-I146 PolarHBondContact O-N 3Å; I146-A149 PolarHBondContact O-N 2.94Å; I146-A150 WeakPolarHBondContact O-CB 3.29Å; I146-A150 PolarHBondContact O-N 3.13Å; I146-S289 WeakPolarHBondContact CG2-OG 3.38Å; I146-V290 HydrophobicContact CD1-CG1 4.41Å; I146-V290 HydrophobicContact CG2-CG1 4Å
147M96Very high92.1Very high0 Ų041.8 Ų41.80%027%0.27CS..Hα-helixtrans-64.3-42.5179.6-70.7-50.3101.500112.4M137 A143 K144 A150 G151 V152 T154 A286 S289 F311M137-M147 HydrophobicContact CE-CE 3.65Å; M137-M147 HydrophobicContact CE-CG 4.4Å; M137-M147 HydrophobicContact CE-SD 4.25Å; M137-M147 HydrophobicContact SD-CE 3.83Å; A143-M147 WeakPolarHBondContact O-CB 3.31Å; A143-M147 VanDerWaalsContact O-CG 3.22Å; A143-M147 WeakPolarHBondContact O-CG 3.33Å; A143-M147 PolarHBondContact O-N 2.8Å; K144-M147 PolarHBondContact O-N 2.73Å; M147-A150 CarbonylContact O-C 3.59Å; M147-A150 PolarHBondContact O-N 2.82Å; M147-A150 VanDerWaalsContact O-N 3.16Å; M147-G151 PolarHBondContact O-N 3.28Å; M147-V152 HydrophobicContact CB-CB 4.01Å; M147-V152 HydrophobicContact CB-CG1 4.36Å; M147-V152 WeakPolarHBondContact O-CB 3.27Å; M147-V152 PolarHBondContact O-N 3.45Å; M147-V152 HydrophobicContact SD-CB 4.33Å; M147-V152 HydrophobicContact SD-CG1 4.4Å; M147-V152 HydrophobicContact SD-CG2 4.11Å; M147-T154 HydrophobicContact CB-CG2 4.13Å; M147-A286 HydrophobicContact CE-CB 4.01Å; M147-A286 HydrophobicContact SD-CB 3.36Å; M147-A286 WeakPolarHBondContact SD-CB 3.4Å; M147-S289 WeakPolarHBondContact CE-OG 3.34Å; M147-F311 HydrophobicContact CB-CD1 4.16Å; M147-F311 HydrophobicContact CB-CE1 4.38Å; M147-F311 HydrophobicContact CB-CG 4.33Å; M147-F311 HydrophobicContact CG-CD1 3.65Å; M147-F311 HydrophobicContact CG-CD2 3.8Å; M147-F311 HydrophobicContact CG-CE1 3.5Å; M147-F311 VanDerWaalsContact CG-CE1 3.5Å; M147-F311 HydrophobicContact CG-CE2 3.65Å; M147-F311 HydrophobicContact CG-CG 3.79Å; M147-F311 HydrophobicContact CG-CZ 3.49Å; M147-F311 VanDerWaalsContact CG-CZ 3.49Å; M147-F311 HydrophobicContact SD-CD2 4.01Å; M147-F311 HydrophobicContact SD-CE2 3.75Å; M147-F311 HydrophobicContact SD-CZ 4.09Å
148L94.1Very high92.1Very high88 Ų8842.7 Ų42.746%0.46127%0.273SS..Hα-helixtrans-59.7-46.6173.8-81.4168.9000111.2K144 A150 G151 T154K144-L148 WeakPolarHBondContact O-CB 3.43Å; K144-L148 WeakPolarHBondContact O-CG 3.36Å; K144-L148 PolarHBondContact O-N 2.89Å; L148-A150 PolarHBondContact O-N 3.27Å; L148-G151 PolarHBondContact O-N 2.98Å; L148-G151 VanDerWaalsContact O-N 3.08Å; L148-T154 HydrophobicContact CD2-CG2 4.22Å; L148-T154 VanDerWaalsContact CD2-OG1 3.22Å; L148-T154 WeakPolarHBondContact CD2-OG1 3.21Å; L148-T154 HydrophobicContact CG-CG2 3.99Å
149A95.7Very high92.4Very high93 Ų9341.6 Ų41.677%0.76925%0.25SS*.Hα-helixtrans-63.2-30.6176.400000112.6E145 I146 G151E145-A149 WeakPolarHBondContact O-CB 3.35Å; E145-A149 PolarHBondContact O-N 3.49Å; I146-A149 PolarHBondContact O-N 2.94Å; A149-G151 VanDerWaalsContact C-N 3.28Å; A149-G151 PolarHBondContact O-N 3.11Å
150A96.6Very high92.7Very high32 Ų3241.5 Ų41.526%0.26425%0.254SS..THydrogen-bonded Turntrans-81.81175.600000114I146 M147 L148 V152I146-A150 WeakPolarHBondContact O-CB 3.29Å; I146-A150 PolarHBondContact O-N 3.13Å; M147-A150 CarbonylContact O-C 3.59Å; M147-A150 PolarHBondContact O-N 2.82Å; M147-A150 VanDerWaalsContact O-N 3.16Å; L148-A150 PolarHBondContact O-N 3.27Å; A150-V152 VanDerWaalsContact C-N 3.27Å; A150-V152 HydrophobicContact CB-CG2 4.17Å; A150-V152 PolarHBondContact O-N 2.9Å
151G96.1Very high93Very high63 Ų6345 Ų4565%0.64929%0.289SS*.THydrogen-bonded Turntrans71.919.1-178.600000114.1M147 L148 A149M147-G151 PolarHBondContact O-N 3.28Å; L148-G151 PolarHBondContact O-N 2.98Å; L148-G151 VanDerWaalsContact O-N 3.08Å; A149-G151 VanDerWaalsContact C-N 3.28Å; A149-G151 PolarHBondContact O-N 3.11Å
152V97.2Very high93.5Very high2 Ų247.6 Ų47.61%0.01230%0.302CS..  trans-81.6124.7175.3178.20000108.3M147 A150 T154 A282 A285 A286 F300 F311M147-V152 HydrophobicContact CB-CB 4.01Å; M147-V152 HydrophobicContact CB-CG1 4.36Å; M147-V152 WeakPolarHBondContact O-CB 3.27Å; M147-V152 PolarHBondContact O-N 3.45Å; M147-V152 HydrophobicContact SD-CB 4.33Å; M147-V152 HydrophobicContact SD-CG1 4.4Å; M147-V152 HydrophobicContact SD-CG2 4.11Å; A150-V152 VanDerWaalsContact C-N 3.27Å; A150-V152 HydrophobicContact CB-CG2 4.17Å; A150-V152 PolarHBondContact O-N 2.9Å; V152-T154 PolarHBondContact O-N 3.15Å; V152-A282 HydrophobicContact CG1-CB 4.32Å; V152-A282 HydrophobicContact CG2-CB 4.49Å; V152-A282 WeakPolarHBondContact CG2-O 3.32Å; V152-A285 HydrophobicContact CG2-CB 4.22Å; V152-A286 HydrophobicContact CG2-CB 4.25Å; V152-F300 HydrophobicContact CG1-CE1 4.09Å; V152-F311 HydrophobicContact CG1-CB 3.75Å; V152-F311 HydrophobicContact CG1-CD2 4.29Å; V152-F311 HydrophobicContact CG1-CG 4.28Å
153P95.9Very high93.8Very high45 Ų4544.6 Ų44.629%0.29229%0.29SS..  trans-59.2127.7179.6-24.234000111.6F309 Y310 F311P153-F309 WeakPolarHBondContact CB-O 3.31Å; P153-F309 HydrophobicContact CG-CE2 3.94Å; P153-F309 HydrophobicContact CG-CZ 4.05Å; P153-Y310 CarbonylContact O-C 3.53Å; P153-F311 WeakPolarHBondContact O-CB 3.19Å; P153-F311 PolarHBondContact O-N 2.76Å
154T94.6Very high94Very high24 Ų2446.9 Ų46.915%0.14731%0.306CS..BIsolated β-bridgetrans-118.2157.1174.362.40000110.6M147 L148 V152 D156 F311M147-T154 HydrophobicContact CB-CG2 4.13Å; L148-T154 HydrophobicContact CD2-CG2 4.22Å; L148-T154 VanDerWaalsContact CD2-OG1 3.22Å; L148-T154 WeakPolarHBondContact CD2-OG1 3.21Å; L148-T154 HydrophobicContact CG-CG2 3.99Å; V152-T154 PolarHBondContact O-N 3.15Å; T154-D156 PolarHBondContact O-N 3.23Å; T154-F311 HydrophobicContact CG2-CB 4.28Å; T154-F311 HydrophobicContact CG2-CD1 4.45Å
155V92.9Very high94.3Very high7 Ų748.9 Ų48.94%0.04232%0.317CS..  trans-62.4133.9172-172.70000109.4E224 K225 I227 Y310V155-E224 HydrophobicContact CG1-CB 3.98Å; V155-K225 HydrophobicContact CG1-CB 3.89Å; V155-K225 VanDerWaalsContact CG1-O 3.3Å; V155-K225 WeakPolarHBondContact CG1-O 3.45Å; V155-I227 HydrophobicContact CG1-CD1 4.36Å; V155-Y310 VanDerWaalsContact CG2-CB 3.43Å; V155-Y310 HydrophobicContact CG2-CD1 4.35Å; V155-Y310 HydrophobicContact CG2-CD2 4.43Å; V155-Y310 HydrophobicContact CG2-CG 3.84Å
156D90.7Very high94.5Very high88 Ų8852.2 Ų52.247%0.47133%0.329SS..SBendtrans-57.4138.4173-175.827.4000110.1T154 E224 K225T154-D156 PolarHBondContact O-N 3.23Å; D156-E224 CarbonylContact O-C 3.53Å; D156-E224 WeakPolarHBondContact O-CA 3.4Å; D156-K225 PolarHBondContact O-N 2.83Å
157G92.9Very high94.6Very high16 Ų1653.3 Ų53.317%0.16533%0.333CS..EExtended strand (participates in β ladder)trans-179.1-173-16900000115.1R174 V223G157-R174 PolarHBondContact O-NH2 3.07Å; G157-V223 CarbonylContact C-O 3.52Å; G157-V223 WeakPolarHBondContact CA-O 3.3Å
158Y94.3Very high94.6Very high32 Ų3253.3 Ų53.313%0.12533%0.333CS..EExtended strand (participates in β ladder)trans-135.5128.5175.3179.3-99.6000110.3D162 K167 L168 E171 I222 V223Y158-D162 WeakPolarHBondContact CE1-O 3.47Å; Y158-D162 PolarHBondContact OH-N 2.74Å; Y158-D162 PolarHBondContact OH-O 2.67Å; Y158-D162 VanDerWaalsContact OH-O 3.12Å; Y158-K167 HydrophobicContact CE1-CG 4.26Å; Y158-L168 HydrophobicContact CD1-CD2 3.83Å; Y158-L168 HydrophobicContact CE1-CD2 3.9Å; Y158-E171 HydrophobicContact CD1-CB 4.3Å; Y158-E171 HydrophobicContact CD1-CG 3.97Å; Y158-E171 HydrophobicContact CD2-CB 4.38Å; Y158-E171 HydrophobicContact CD2-CG 3.57Å; Y158-E171 HydrophobicContact CE1-CG 4.41Å; Y158-E171 HydrophobicContact CE2-CG 4.05Å; Y158-E171 HydrophobicContact CG-CB 3.89Å; Y158-E171 HydrophobicContact CG-CG 3.52Å; Y158-I222 WeakPolarHBondContact O-CA 3.22Å; Y158-V223 PolarHBondContact N-O 2.95Å; Y158-V223 PolarHBondContact O-N 3.41Å
159H91.4Very high94.8Very high43 Ų4353.2 Ų53.220%0.19933%0.326CS..  trans-141.531.21775175.4000110.8D141 I222D141-H159 HydrophobicContact CB-CB 4.31Å; H159-I222 HydrophobicContact CB-CG1 4.09Å; H159-I222 HydrophobicContact CB-CG2 4.21Å
160G90.3Very high94.9Very high25 Ų2552 Ų5226%0.25831%0.312SS..  trans-76.2172.2-177.600000113.7D162 Q163G160-D162 VanDerWaalsContact C-N 3.32Å; G160-D162 PolarHBondContact O-N 3.4Å; G160-Q163 PolarHBondContact O-NE2 3.12Å
161A89.9Confident94.9Very high107 Ų10751.4 Ų51.488%0.88430%0.304SS*.SBendtrans-68.4-25.2-177.200000114.4Q163A161-Q163 PolarHBondContact O-N 2.98Å; A161-Q163 VanDerWaalsContact O-N 3.15Å
162D95.3Very high95Very high76 Ų7648.4 Ų48.441%0.40627%0.273SS..  trans-80.598.3177.7179.4-0.6000110.3Y158 G160 S164 K167Y158-D162 WeakPolarHBondContact CE1-O 3.47Å; Y158-D162 PolarHBondContact OH-N 2.74Å; Y158-D162 PolarHBondContact OH-O 2.67Å; Y158-D162 VanDerWaalsContact OH-O 3.12Å; G160-D162 VanDerWaalsContact C-N 3.32Å; G160-D162 PolarHBondContact O-N 3.4Å; D162-S164 VanDerWaalsContact C-N 3.34Å; D162-S164 VanDerWaalsContact OD1-CB 3.25Å; D162-S164 WeakPolarHBondContact OD1-CB 3.5Å; D162-S164 PolarHBondContact OD1-N 3.35Å; D162-S164 PolarHBondContact OD1-OG 2.63Å; D162-K167 HydrophobicContact CB-CB 4.44Å; D162-K167 HydrophobicContact CB-CG 3.97Å; D162-K167 WeakPolarHBondContact OD2-CB 3.4Å; D162-K167 WeakPolarHBondContact OD2-CG 3.28Å
163Q95.1Very high95Very high38 Ų3851.5 Ų51.518%0.17829%0.289CS..  trans-94.517.4-178.9-67.3-69.5-4600112.5G160 A161 R209 R220 M221G160-Q163 PolarHBondContact O-NE2 3.12Å; A161-Q163 PolarHBondContact O-N 2.98Å; A161-Q163 VanDerWaalsContact O-N 3.15Å; Q163-R209 PolarHBondContact O-NH2 2.85Å; Q163-R220 HydrophobicContact CG-CB 4.43Å; Q163-R220 HydrophobicContact CG-CG 4.21Å; Q163-M221 PolarHBondContact NE2-O 2.74Å; Q163-M221 VanDerWaalsContact NE2-O 3.07Å; Q163-M221 PolarHBondContact OE1-O 3.31Å
164S96.6Very high95Very high52 Ų5255.8 Ų55.836%0.36430%0.3SS..  trans-66.6142175.5660000111.6D162 K166 K167 L168D162-S164 VanDerWaalsContact C-N 3.34Å; D162-S164 VanDerWaalsContact OD1-CB 3.25Å; D162-S164 WeakPolarHBondContact OD1-CB 3.5Å; D162-S164 PolarHBondContact OD1-N 3.35Å; D162-S164 PolarHBondContact OD1-OG 2.63Å; S164-K166 PolarHBondContact O-N 3.13Å; S164-K166 VanDerWaalsContact O-N 3.16Å; S164-K167 WeakPolarHBondContact O-CA 3.47Å; S164-K167 WeakPolarHBondContact O-CB 3.23Å; S164-K167 PolarHBondContact O-N 3.49Å; S164-K167 WeakPolarHBondContact OG-CB 3.38Å; S164-K167 PolarHBondContact OG-N 2.78Å; S164-L168 PolarHBondContact O-N 2.93Å
165D96.4Very high95.1Very high48 Ų4855.4 Ų55.426%0.25730%0.297SS..Hα-helixtrans-56.2-37-178.5-63.419.7000111.7R169 F202 L205 H206 R209D165-R169 WeakPolarHBondContact O-CB 3.45Å; D165-R169 PolarHBondContact O-N 3.16Å; D165-F202 HydrophobicContact CB-CD1 4.29Å; D165-F202 HydrophobicContact CB-CE1 3.89Å; D165-L205 HydrophobicContact CB-CD2 4.22Å; D165-H206 IonicContact OD2-CE1 3.85Å; D165-H206 PolarHBondContact OD2-CE1 2.95Å; D165-H206 VanDerWaalsContact OD2-CE1 3.31Å; D165-H206 IonicContact OD2-NE2 2.69Å; D165-R209 IonicContact OD1-CZ 3.16Å; D165-R209 IonicContact OD1-NH1 3.81Å; D165-R209 PolarHBondContact OD1-NH1 2.91Å; D165-R209 IonicContact OD1-NH2 3.71Å
166K96.3Very high95.2Very high179 Ų17956.2 Ų56.278%0.77831%0.306SS*.Hα-helixtrans-63.6-43.3175.6-172.6179.5179.4-177.60111.6S164 S170S164-K166 PolarHBondContact O-N 3.13Å; S164-K166 VanDerWaalsContact O-N 3.16Å; K166-S170 WeakPolarHBondContact O-CB 3.37Å; K166-S170 PolarHBondContact O-N 3.4Å
167K97.5Very high95.5Very high61 Ų6154.5 Ų54.527%0.26529%0.294SS..Hα-helixtrans-66.7-47.9178.2-178.765.8-176.3164.50111Y158 D162 S164 R169 S170 E171Y158-K167 HydrophobicContact CE1-CG 4.26Å; D162-K167 HydrophobicContact CB-CB 4.44Å; D162-K167 HydrophobicContact CB-CG 3.97Å; D162-K167 WeakPolarHBondContact OD2-CB 3.4Å; D162-K167 WeakPolarHBondContact OD2-CG 3.28Å; S164-K167 WeakPolarHBondContact O-CA 3.47Å; S164-K167 WeakPolarHBondContact O-CB 3.23Å; S164-K167 PolarHBondContact O-N 3.49Å; S164-K167 WeakPolarHBondContact OG-CB 3.38Å; S164-K167 PolarHBondContact OG-N 2.78Å; K167-R169 VanDerWaalsContact C-N 3.32Å; K167-R169 PolarHBondContact O-N 3.14Å; K167-S170 WeakPolarHBondContact O-CB 3.28Å; K167-S170 PolarHBondContact O-N 3.22Å; K167-S170 VanDerWaalsContact O-N 3.11Å; K167-E171 HydrophobicContact CD-CG 4.43Å; K167-E171 VanDerWaalsContact CE-OE1 3.3Å; K167-E171 WeakPolarHBondContact CE-OE1 3.29Å; K167-E171 IonicContact NZ-OE1 2.71Å; K167-E171 PolarHBondContact NZ-OE1 2.98Å; K167-E171 WeakPolarHBondContact O-CG 3.31Å; K167-E171 PolarHBondContact O-N 3.44Å
168L97.4Very high95.6Very high0 Ų054.6 Ų54.60%029%0.291CS..Hα-helixtrans-59.4-42.2178.9-65.2176.5000111.8Y158 S164 E171 A172 F201 L205 M221 V223Y158-L168 HydrophobicContact CD1-CD2 3.83Å; Y158-L168 HydrophobicContact CE1-CD2 3.9Å; S164-L168 PolarHBondContact O-N 2.93Å; L168-E171 PolarHBondContact O-N 3.15Å; L168-A172 PolarHBondContact O-N 3.17Å; L168-F201 VanDerWaalsContact C-CZ 3.43Å; L168-F201 HydrophobicContact CB-CE1 4.24Å; L168-F201 HydrophobicContact CB-CZ 3.86Å; L168-L205 HydrophobicContact CD1-CD1 3.85Å; L168-L205 HydrophobicContact CD1-CD2 4.06Å; L168-M221 HydrophobicContact CD1-CB 4.18Å; L168-V223 HydrophobicContact CB-CG2 4.31Å; L168-V223 HydrophobicContact CD2-CG2 3.95Å
169R97.4Very high95.8Very high87 Ų8753 Ų5333%0.32829%0.285SS..Hα-helixtrans-63.8-43.6174-177.5176167.1-174.1-1.1112.1D165 K167 E171 A172 N173 E198 F201 F202D165-R169 WeakPolarHBondContact O-CB 3.45Å; D165-R169 PolarHBondContact O-N 3.16Å; K167-R169 VanDerWaalsContact C-N 3.32Å; K167-R169 PolarHBondContact O-N 3.14Å; R169-E171 VanDerWaalsContact C-N 3.26Å; R169-E171 PolarHBondContact O-N 3.08Å; R169-A172 WeakPolarHBondContact O-CB 3.44Å; R169-A172 PolarHBondContact O-N 3.17Å; R169-N173 VanDerWaalsContact O-CG 3.26Å; R169-N173 PolarHBondContact O-N 3.32Å; R169-N173 PolarHBondContact O-OD1 3.42Å; R169-E198 IonicContact CZ-OE1 2.8Å; R169-E198 VanDerWaalsContact CZ-OE1 3.27Å; R169-E198 IonicContact NE-OE1 2.73Å; R169-E198 PolarHBondContact NE-OE1 3.29Å; R169-E198 IonicContact NH2-OE1 2.67Å; R169-E198 PolarHBondContact NH2-OE1 2.88Å; R169-F201 VanDerWaalsContact CA-CE1 3.45Å; R169-F201 HydrophobicContact CB-CD1 3.69Å; R169-F201 HydrophobicContact CB-CE1 3.57Å; R169-F201 HydrophobicContact CB-CG 4.45Å; R169-F201 HydrophobicContact CB-CZ 4.24Å; R169-F201 HydrophobicContact CG-CD1 4.01Å; R169-F201 HydrophobicContact CG-CE1 4.36Å; R169-F201 HydrophobicContact CG-CG 4.4Å; R169-F202 HydrophobicContact CB-CE1 4.37Å; R169-F202 HydrophobicContact CB-CZ 4.42Å; R169-F202 VanDerWaalsContact CD-CZ 3.47Å; R169-F202 VanDerWaalsContact NH1-CE2 3.26Å
170S97.3Very high95.9Very high66 Ų6652.5 Ų52.546%0.46228%0.283SS..Hα-helixtrans-60.1-38.5177.7-175.70000112K166 K167 N173 R174K166-S170 WeakPolarHBondContact O-CB 3.37Å; K166-S170 PolarHBondContact O-N 3.4Å; K167-S170 WeakPolarHBondContact O-CB 3.28Å; K167-S170 PolarHBondContact O-N 3.22Å; K167-S170 VanDerWaalsContact O-N 3.11Å; S170-N173 PolarHBondContact O-N 3.06Å; S170-R174 PolarHBondContact O-N 2.89Å
171E97.8Very high96.1Very high20 Ų2051.3 Ų51.39%0.09327%0.271CS..Hα-helixtrans-72.7-38.4176.9-67.4-66.6148.200111.8Y158 K167 L168 R169 N173 R174 I175Y158-E171 HydrophobicContact CD1-CB 4.3Å; Y158-E171 HydrophobicContact CD1-CG 3.97Å; Y158-E171 HydrophobicContact CD2-CB 4.38Å; Y158-E171 HydrophobicContact CD2-CG 3.57Å; Y158-E171 HydrophobicContact CE1-CG 4.41Å; Y158-E171 HydrophobicContact CE2-CG 4.05Å; Y158-E171 HydrophobicContact CG-CB 3.89Å; Y158-E171 HydrophobicContact CG-CG 3.52Å; K167-E171 HydrophobicContact CD-CG 4.43Å; K167-E171 VanDerWaalsContact CE-OE1 3.3Å; K167-E171 WeakPolarHBondContact CE-OE1 3.29Å; K167-E171 IonicContact NZ-OE1 2.71Å; K167-E171 PolarHBondContact NZ-OE1 2.98Å; K167-E171 WeakPolarHBondContact O-CG 3.31Å; K167-E171 PolarHBondContact O-N 3.44Å; L168-E171 PolarHBondContact O-N 3.15Å; R169-E171 VanDerWaalsContact C-N 3.26Å; R169-E171 PolarHBondContact O-N 3.08Å; E171-N173 VanDerWaalsContact C-N 3.29Å; E171-N173 PolarHBondContact O-N 3.06Å; E171-R174 WeakPolarHBondContact O-CB 2.99Å; E171-R174 PolarHBondContact O-N 2.79Å; E171-R174 VanDerWaalsContact O-N 3.12Å; E171-R174 IonicContact OE2-CZ 3.37Å; E171-R174 IonicContact OE2-NE 3.08Å; E171-R174 PolarHBondContact OE2-NE 3.28Å; E171-R174 IonicContact OE2-NH2 3.33Å; E171-R174 PolarHBondContact OE2-NH2 3.34Å; E171-I175 WeakPolarHBondContact O-CD1 3.4Å; E171-I175 VanDerWaalsContact O-CG1 3.27Å; E171-I175 WeakPolarHBondContact O-CG1 3.26Å; E171-I175 PolarHBondContact O-N 3.36Å
172A97.3Very high96.2Very high0 Ų046.9 Ų46.90%023%0.232CC..Hα-helixtrans-58.4-42.3170.800000111.9L168 R169 R174 I175 G176 Y177 V179 F201 V223L168-A172 PolarHBondContact O-N 3.17Å; R169-A172 WeakPolarHBondContact O-CB 3.44Å; R169-A172 PolarHBondContact O-N 3.17Å; A172-R174 VanDerWaalsContact C-N 3.33Å; A172-R174 PolarHBondContact O-N 3.46Å; A172-I175 PolarHBondContact O-N 2.93Å; A172-G176 PolarHBondContact O-N 3.45Å; A172-Y177 HydrophobicContact CB-CE1 4.3Å; A172-V179 HydrophobicContact CB-CG1 4.44Å; A172-V179 HydrophobicContact CB-CG2 4.1Å; A172-F201 HydrophobicContact CB-CD2 3.82Å; A172-F201 HydrophobicContact CB-CE2 3.42Å; A172-F201 VanDerWaalsContact CB-CE2 3.42Å; A172-F201 HydrophobicContact CB-CZ 4.19Å; A172-V223 HydrophobicContact CB-CG1 3.93Å
173N96.9Very high96Very high68 Ų6843.2 Ų43.236%0.36421%0.212SC..Hα-helixtrans-65-35.5175.3-68.42000112.1R169 S170 E171 Y177 E198R169-N173 VanDerWaalsContact O-CG 3.26Å; R169-N173 PolarHBondContact O-N 3.32Å; R169-N173 PolarHBondContact O-OD1 3.42Å; S170-N173 PolarHBondContact O-N 3.06Å; E171-N173 VanDerWaalsContact C-N 3.29Å; E171-N173 PolarHBondContact O-N 3.06Å; N173-Y177 VanDerWaalsContact OD1-CE2 3.23Å; N173-Y177 WeakPolarHBondContact OD1-CE2 3.13Å; N173-Y177 PolarHBondContact OD1-OH 3.4Å; N173-E198 PolarHBondContact ND2-OE1 3.48Å; N173-E198 PolarHBondContact OD1-OE1 3.32Å
174R97.2Very high95.6Very high134 Ų13441.6 Ų41.651%0.50621%0.205SC..Hα-helixtrans-67.9-44.7175.3-175.7-171.764.174.2-2.5112.3G157 S170 E171 A172 G176G157-R174 PolarHBondContact O-NH2 3.07Å; S170-R174 PolarHBondContact O-N 2.89Å; E171-R174 WeakPolarHBondContact O-CB 2.99Å; E171-R174 PolarHBondContact O-N 2.79Å; E171-R174 VanDerWaalsContact O-N 3.12Å; E171-R174 IonicContact OE2-CZ 3.37Å; E171-R174 IonicContact OE2-NE 3.08Å; E171-R174 PolarHBondContact OE2-NE 3.28Å; E171-R174 IonicContact OE2-NH2 3.33Å; E171-R174 PolarHBondContact OE2-NH2 3.34Å; A172-R174 VanDerWaalsContact C-N 3.33Å; A172-R174 PolarHBondContact O-N 3.46Å; R174-G176 VanDerWaalsContact C-N 3.27Å
175I96.1Very high94.6Very high16 Ų1641 Ų418%0.08220%0.201CC..Hα-helixtrans-68.4-33.2179.1-65.5158.8000110.4E171 A172 V179 V223 K225E171-I175 WeakPolarHBondContact O-CD1 3.4Å; E171-I175 VanDerWaalsContact O-CG1 3.27Å; E171-I175 WeakPolarHBondContact O-CG1 3.26Å; E171-I175 PolarHBondContact O-N 3.36Å; A172-I175 PolarHBondContact O-N 2.93Å; I175-V179 HydrophobicContact CB-CG1 4.24Å; I175-V179 HydrophobicContact CG2-CG1 3.96Å; I175-V223 HydrophobicContact CD1-CB 4.22Å; I175-V223 HydrophobicContact CD1-CG1 3.83Å; I175-K225 HydrophobicContact CG2-CB 3.84Å; I175-K225 HydrophobicContact CG2-CD 3.75Å; I175-K225 HydrophobicContact CG2-CG 4.43Å
176G95.9Very high93.4Very high24 Ų2439.6 Ų39.625%0.24719%0.194CC..  trans82133.6-179.100000112.2A172 R174 K225A172-G176 PolarHBondContact O-N 3.45Å; R174-G176 VanDerWaalsContact C-N 3.27Å; G176-K225 PolarHBondContact O-NZ 3.27Å
177Y95.8Very high92Very high52 Ų5232.9 Ų32.920%0.20418%0.176CC..SBendtrans-66.4152.7179.6-63.2-86.6000112.5A172 N173 V179 V195 M196 E198 F201A172-Y177 HydrophobicContact CB-CE1 4.3Å; N173-Y177 VanDerWaalsContact OD1-CE2 3.23Å; N173-Y177 WeakPolarHBondContact OD1-CE2 3.13Å; N173-Y177 PolarHBondContact OD1-OH 3.4Å; Y177-V179 HydrophobicContact CD1-CG1 4.5Å; Y177-V179 HydrophobicContact CD1-CG2 3.9Å; Y177-V179 HydrophobicContact CE1-CG2 3.79Å; Y177-V195 HydrophobicContact CD1-CB 4.43Å; Y177-V195 HydrophobicContact CD1-CG1 4.03Å; Y177-V195 HydrophobicContact CE1-CB 4.29Å; Y177-V195 HydrophobicContact CE1-CG1 3.67Å; Y177-M196 WeakPolarHBondContact CB-O 3.46Å; Y177-E198 HydrophobicContact CD2-CB 4.28Å; Y177-E198 HydrophobicContact CE2-CB 3.62Å; Y177-E198 HydrophobicContact CE2-CG 4.04Å; Y177-F201 HydrophobicContact CE1-CD2 4.24Å
178P96.2Very high90.5Very high18 Ų1833 Ų3312%0.11720%0.195CC..SBendcis-72150.4-4.627.2-30.2000113V195 M196 F226 H228P178-V195 VanDerWaalsContact CA-O 3.31Å; P178-V195 WeakPolarHBondContact CA-O 3.5Å; P178-M196 HydrophobicContact CB-CE 4.03Å; P178-M196 HydrophobicContact CB-SD 3.81Å; P178-M196 HydrophobicContact CG-CE 4.27Å; P178-F226 VanDerWaalsContact C-CB 3.49Å; P178-F226 HydrophobicContact CB-CB 3.79Å; P178-F226 HydrophobicContact CB-CD1 4.17Å; P178-F226 HydrophobicContact CB-CG 4.12Å; P178-F226 HydrophobicContact CG-CB 3.96Å; P178-F226 HydrophobicContact CG-CD1 3.9Å; P178-F226 HydrophobicContact CG-CG 4.25Å; P178-F226 VanDerWaalsContact O-CB 3.28Å; P178-F226 WeakPolarHBondContact O-CB 3.45Å; P178-F226 PolarHBondContact O-N 3.11Å; P178-F226 VanDerWaalsContact O-N 3.14Å; P178-H228 WeakPolarHBondContact CG-NE2 3.31Å
179V96.9Very high89.2Confident0 Ų034.2 Ų34.20%021%0.207CC..EExtended strand (participates in β ladder)trans-124.4156.7175.6-61.50000110.8A172 I175 Y177 V195 V223 E224A172-V179 HydrophobicContact CB-CG1 4.44Å; A172-V179 HydrophobicContact CB-CG2 4.1Å; I175-V179 HydrophobicContact CB-CG1 4.24Å; I175-V179 HydrophobicContact CG2-CG1 3.96Å; Y177-V179 HydrophobicContact CD1-CG1 4.5Å; Y177-V179 HydrophobicContact CD1-CG2 3.9Å; Y177-V179 HydrophobicContact CE1-CG2 3.79Å; V179-V195 HydrophobicContact CG2-CB 3.89Å; V179-V195 HydrophobicContact CG2-CG2 4.42Å; V179-V195 PolarHBondContact N-O 2.94Å; V179-V195 PolarHBondContact O-N 3.35Å; V179-V223 HydrophobicContact CB-CG1 4.12Å; V179-V223 HydrophobicContact CG1-CG1 4.41Å; V179-V223 HydrophobicContact CG2-CG1 4.23Å; V179-E224 CarbonylContact C-O 3.58Å; V179-E224 VanDerWaalsContact CA-O 3.23Å; V179-E224 WeakPolarHBondContact CA-O 3.4Å; V179-E224 VanDerWaalsContact CB-O 3.3Å; V179-E224 WeakPolarHBondContact CB-O 3.39Å
180M94.5Very high88Confident32 Ų3234.8 Ų34.816%0.15821%0.212CC..EExtended strand (participates in β ladder)trans-109.4121.8172.8-176.367.780.300109.2K182 M192 A194 E224 F226M180-K182 HydrophobicContact CG-CD 4.28Å; M180-K182 HydrophobicContact CG-CG 3.73Å; M180-M192 HydrophobicContact CE-CE 4.4Å; M180-M192 HydrophobicContact CG-CE 4.43Å; M180-M192 HydrophobicContact SD-CB 4.45Å; M180-M192 HydrophobicContact SD-CE 4.26Å; M180-A194 HydrophobicContact CE-CB 4.4Å; M180-A194 HydrophobicContact SD-CB 4.42Å; M180-E224 PolarHBondContact N-O 2.79Å; M180-E224 PolarHBondContact O-N 3.32Å; M180-F226 HydrophobicContact CB-CD2 4.33Å; M180-F226 HydrophobicContact CE-CD2 3.67Å; M180-F226 HydrophobicContact CE-CE2 3.54Å
181L94.7Very high87.2Confident0 Ų031.7 Ų31.70%019%0.19CC..EExtended strand (participates in β ladder)trans-85132.1166-62178.8000108.8M192 R193 V195 F201 H204 L205 M221 I222 V223L181-M192 CarbonylContact O-C 3.49Å; L181-M192 WeakPolarHBondContact O-CA 3.34Å; L181-R193 HydrophobicContact CB-CB 4.41Å; L181-R193 PolarHBondContact N-O 3.33Å; L181-R193 PolarHBondContact O-N 3.4Å; L181-V195 HydrophobicContact CD1-CG2 3.71Å; L181-V195 HydrophobicContact CG-CG2 3.88Å; L181-F201 HydrophobicContact CD1-CE2 4.45Å; L181-F201 HydrophobicContact CD2-CE2 3.84Å; L181-F201 HydrophobicContact CD2-CZ 4.2Å; L181-H204 HydrophobicContact CD1-CB 4.22Å; L181-L205 HydrophobicContact CD1-CB 3.94Å; L181-L205 HydrophobicContact CD1-CD1 4.27Å; L181-M221 HydrophobicContact CB-CE 4.05Å; L181-I222 WeakPolarHBondContact CA-O 3.45Å; L181-V223 HydrophobicContact CD2-CB 4.41Å; L181-V223 HydrophobicContact CD2-CG1 4.3Å; L181-V223 HydrophobicContact CD2-CG2 3.82Å
182K91.8Very high86.7Confident13 Ų1332.9 Ų32.96%0.05720%0.196CC..EExtended strand (participates in β ladder)trans-135.2135176.1-56.2-175.8177.7170.50110M180 M192 M221 I222 E224M180-K182 HydrophobicContact CG-CD 4.28Å; M180-K182 HydrophobicContact CG-CG 3.73Å; K182-M192 HydrophobicContact CB-CG 4.22Å; K182-M192 HydrophobicContact CD-CE 4.13Å; K182-M192 HydrophobicContact CD-SD 4.43Å; K182-M192 HydrophobicContact CG-CE 4.14Å; K182-M192 HydrophobicContact CG-CG 4.01Å; K182-M192 HydrophobicContact CG-SD 4.35Å; K182-M221 VanDerWaalsContact C-CE 3.46Å; K182-M221 CarbonylContact O-C 3.53Å; K182-I222 HydrophobicContact CB-CB 4.43Å; K182-I222 PolarHBondContact N-O 2.96Å; K182-I222 PolarHBondContact O-N 3.19Å; K182-E224 WeakPolarHBondContact CE-OE2 3.42Å; K182-E224 IonicContact NZ-OE1 3.89Å; K182-E224 IonicContact NZ-OE2 3.38Å; K182-E224 PolarHBondContact NZ-OE2 3.28Å
183A90.3Very high86.4Confident0 Ų036 Ų360%021%0.208CC..EExtended strand (participates in β ladder)trans-68.8142.1170.500000111.4C185 S186 G191 A212 M221A183-C185 VanDerWaalsContact C-N 3.32Å; A183-C185 PolarHBondContact O-N 3.31Å; A183-S186 PolarHBondContact O-OG 3.27Å; A183-G191 PolarHBondContact N-O 3.48Å; A183-G191 VanDerWaalsContact N-O 3.08Å; A183-A212 HydrophobicContact CB-CB 3.41Å; A183-A212 VanDerWaalsContact CB-CB 3.41Å; A183-M221 HydrophobicContact CB-SD 4.12Å
184V87.9Confident86.2Confident3 Ų334.5 Ų34.52%0.01820%0.204CC..SBendtrans-58.1-45.8179.8169.70000111.3K140 D141 R220 I222K140-V184 PolarHBondContact N-O 3.22Å; D141-V184 HydrophobicContact CB-CG1 4.28Å; D141-V184 VanDerWaalsContact CG-CG1 3.47Å; D141-V184 VanDerWaalsContact OD1-CG1 3.29Å; D141-V184 WeakPolarHBondContact OD1-CG1 3.42Å; V184-R220 HydrophobicContact CB-CB 4.24Å; V184-R220 HydrophobicContact CG2-CB 3.7Å; V184-R220 PolarHBondContact N-O 3.44Å; V184-I222 HydrophobicContact CG2-CD1 4.22Å; V184-I222 HydrophobicContact CG2-CG1 3.87Å
185C76Confident86.1Confident41 Ų4128.1 Ų28.128%0.27718%0.18SC..SBendtrans-99102.4169.5-62.50000107.4A183 F216 D218A183-C185 VanDerWaalsContact C-N 3.32Å; A183-C185 PolarHBondContact O-N 3.31Å; C185-F216 HydrophobicContact CB-CB 3.92Å; C185-F216 HydrophobicContact CB-CG 4.3Å; C185-F216 WeakPolarHBondContact O-CD2 3.43Å; C185-F216 WeakPolarHBondContact O-CG 3.47Å; C185-D218 HydrophobicContact CB-CB 4.39Å
186S69.7Low86.1Confident17 Ų1730.7 Ų30.712%0.11919%0.193CC..  trans-150.9142.917346.10000112K140 A183 K190K140-S186 WeakPolarHBondContact CE-O 3.21Å; K140-S186 WeakPolarHBondContact CE-OG 3.47Å; K140-S186 PolarHBondContact NZ-O 3.09Å; K140-S186 PolarHBondContact NZ-OG 3.09Å; A183-S186 PolarHBondContact O-OG 3.27Å; S186-K190 WeakPolarHBondContact CB-O 3.48Å
187G66.6Low86.1Confident38 Ų3836.7 Ų36.739%0.39221%0.209SC..  trans-136.3149.6172.300000110.4G189 K190G187-G189 VanDerWaalsContact C-N 3.31Å; G187-G189 PolarHBondContact O-N 2.87Å; G187-K190 PolarHBondContact O-N 3.49Å
188G65.8Low86.1Confident65 Ų6537.9 Ų37.967%0.6722%0.217SC*.THydrogen-bonded Turntrans64.727176.500000115.4K190G188-K190 VanDerWaalsContact C-N 3.28Å; G188-K190 PolarHBondContact O-N 3.06Å
189G70.4Confident86.1Confident24 Ų2443.8 Ų43.825%0.24725%0.247CC..THydrogen-bonded Turntrans80.8-3.817900000115.8G187 M192G187-G189 VanDerWaalsContact C-N 3.31Å; G187-G189 PolarHBondContact O-N 2.87Å; G189-M192 WeakPolarHBondContact O-CB 3.44Å; G189-M192 PolarHBondContact O-N 3.38Å
190K73.2Confident86.1Confident100 Ų10046.5 Ų46.544%0.43526%0.26SS..THydrogen-bonded Turntrans-65.4136.8178.1-66-170.4177.6-170.80111.8S186 G187 G188 M192 E211 F216S186-K190 WeakPolarHBondContact CB-O 3.48Å; G187-K190 PolarHBondContact O-N 3.49Å; G188-K190 VanDerWaalsContact C-N 3.28Å; G188-K190 PolarHBondContact O-N 3.06Å; K190-M192 VanDerWaalsContact C-N 3.31Å; K190-M192 PolarHBondContact O-N 3.2Å; K190-E211 WeakPolarHBondContact CA-OE1 3.4Å; K190-E211 WeakPolarHBondContact CB-OE1 3.5Å; K190-F216 HydrophobicContact CB-CE2 4.05Å; K190-F216 HydrophobicContact CB-CZ 4.27Å
191G80Confident86.2Confident0 Ų045 Ų450%025%0.253CS..THydrogen-bonded Turntrans72.721.5-179.300000114.1A183 E211A183-G191 PolarHBondContact N-O 3.48Å; A183-G191 VanDerWaalsContact N-O 3.08Å; G191-E211 PolarHBondContact N-OE1 3.27Å; G191-E211 VanDerWaalsContact N-OE1 3.11Å; G191-E211 PolarHBondContact N-OE2 3.48Å
192M87.7Confident86.2Confident46 Ų4648.5 Ų48.523%0.22727%0.268CS..EExtended strand (participates in β ladder)trans-109135.9174.3-63.1-179.343.600111.4M180 L181 K182 G189 K190M180-M192 HydrophobicContact CE-CE 4.4Å; M180-M192 HydrophobicContact CG-CE 4.43Å; M180-M192 HydrophobicContact SD-CB 4.45Å; M180-M192 HydrophobicContact SD-CE 4.26Å; L181-M192 CarbonylContact O-C 3.49Å; L181-M192 WeakPolarHBondContact O-CA 3.34Å; K182-M192 HydrophobicContact CB-CG 4.22Å; K182-M192 HydrophobicContact CD-CE 4.13Å; K182-M192 HydrophobicContact CD-SD 4.43Å; K182-M192 HydrophobicContact CG-CE 4.14Å; K182-M192 HydrophobicContact CG-CG 4.01Å; K182-M192 HydrophobicContact CG-SD 4.35Å; G189-M192 WeakPolarHBondContact O-CB 3.44Å; G189-M192 PolarHBondContact O-N 3.38Å; K190-M192 VanDerWaalsContact C-N 3.31Å; K190-M192 PolarHBondContact O-N 3.2Å
193R90.4Very high86.3Confident66 Ų6651.4 Ų51.425%0.24929%0.29CS..EExtended strand (participates in β ladder)trans-142.7125.9178.2-67.3-62.9-178.5-80.1-7.7111L181 H204 S207 A208 E211L181-R193 HydrophobicContact CB-CB 4.41Å; L181-R193 PolarHBondContact N-O 3.33Å; L181-R193 PolarHBondContact O-N 3.4Å; R193-H204 HydrophobicContact CB-CB 4.02Å; R193-H204 HydrophobicContact CG-CB 4.37Å; R193-S207 PolarHBondContact NH2-OG 2.77Å; R193-S207 VanDerWaalsContact NH2-OG 3.11Å; R193-A208 HydrophobicContact CG-CB 3.89Å; R193-E211 IonicContact CZ-OE2 2.72Å; R193-E211 IonicContact NH1-OE2 2.74Å; R193-E211 PolarHBondContact NH1-OE2 2.98Å; R193-E211 IonicContact NH2-OE2 2.69Å; R193-E211 PolarHBondContact NH2-OE2 2.68Å
194A92.5Very high86.5Confident35 Ų3554 Ų5429%0.28930%0.302SS..EExtended strand (participates in β ladder)trans-74.6135.8165.100000108.8M180 H204 F226M180-A194 HydrophobicContact CE-CB 4.4Å; M180-A194 HydrophobicContact SD-CB 4.42Å; A194-H204 PolarHBondContact O-CD2 3.29Å; A194-F226 HydrophobicContact CB-CD2 3.85Å; A194-F226 HydrophobicContact CB-CE2 3.6Å; A194-F226 HydrophobicContact CB-CZ 4.47Å
195V96.2Very high86.9Confident0 Ų053.8 Ų53.80%030%0.301CS..EExtended strand (participates in β ladder)trans-118.8113.3174.8-174.30000107Y177 P178 V179 L181 Y197 E200 F201 H204Y177-V195 HydrophobicContact CD1-CB 4.43Å; Y177-V195 HydrophobicContact CD1-CG1 4.03Å; Y177-V195 HydrophobicContact CE1-CB 4.29Å; Y177-V195 HydrophobicContact CE1-CG1 3.67Å; P178-V195 VanDerWaalsContact CA-O 3.31Å; P178-V195 WeakPolarHBondContact CA-O 3.5Å; V179-V195 HydrophobicContact CG2-CB 3.89Å; V179-V195 HydrophobicContact CG2-CG2 4.42Å; V179-V195 PolarHBondContact N-O 2.94Å; V179-V195 PolarHBondContact O-N 3.35Å; L181-V195 HydrophobicContact CD1-CG2 3.71Å; L181-V195 HydrophobicContact CG-CG2 3.88Å; V195-Y197 WeakPolarHBondContact CG1-O 3.36Å; V195-E200 HydrophobicContact CG1-CB 4.12Å; V195-F201 HydrophobicContact CG1-CB 4.27Å; V195-F201 HydrophobicContact CG1-CD2 4.37Å; V195-H204 HydrophobicContact CG2-CB 3.73Å
196M95.1Very high87.7Confident71 Ų7156.5 Ų56.535%0.3531%0.309SS..  trans-85.3-35.3-173.9-60.2-53.9-66.600111.4Y177 P178 E200Y177-M196 WeakPolarHBondContact CB-O 3.46Å; P178-M196 HydrophobicContact CB-CE 4.03Å; P178-M196 HydrophobicContact CB-SD 3.81Å; P178-M196 HydrophobicContact CG-CE 4.27Å; M196-E200 PolarHBondContact N-OE2 3.49Å
197Y96.6Very high88.6Confident150 Ų15058.2 Ų58.259%0.58832%0.321SS*.SBendtrans-136.4154.3-175.8-54.2-72.5000112.2V195 N199 E200V195-Y197 WeakPolarHBondContact CG1-O 3.36Å; Y197-N199 VanDerWaalsContact C-N 3.29Å; Y197-N199 WeakPolarHBondContact CB-OD1 3.39Å; Y197-N199 PolarHBondContact O-N 3.29Å; Y197-E200 PolarHBondContact N-OE2 3.42Å; Y197-E200 WeakPolarHBondContact O-CB 3.47Å; Y197-E200 PolarHBondContact O-N 3.3Å; Y197-E200 VanDerWaalsContact O-N 3.1Å
198E96.3Very high89.8Confident76 Ų7656.4 Ų56.436%0.35530%0.302SS..G310 helixtrans-60.1-35.6-175.9-174.7178.7-173.600113.6R169 N173 Y177 E200 F201R169-E198 IonicContact CZ-OE1 2.8Å; R169-E198 VanDerWaalsContact CZ-OE1 3.27Å; R169-E198 IonicContact NE-OE1 2.73Å; R169-E198 PolarHBondContact NE-OE1 3.29Å; R169-E198 IonicContact NH2-OE1 2.67Å; R169-E198 PolarHBondContact NH2-OE1 2.88Å; N173-E198 PolarHBondContact ND2-OE1 3.48Å; N173-E198 PolarHBondContact OD1-OE1 3.32Å; Y177-E198 HydrophobicContact CD2-CB 4.28Å; Y177-E198 HydrophobicContact CE2-CB 3.62Å; Y177-E198 HydrophobicContact CE2-CG 4.04Å; E198-E200 PolarHBondContact O-N 2.98Å; E198-F201 VanDerWaalsContact O-CB 3.31Å; E198-F201 WeakPolarHBondContact O-CB 3.32Å; E198-F201 PolarHBondContact O-N 2.9Å
199N96.2Very high91.1Very high143 Ų14354.9 Ų54.977%0.76528%0.277SS*.G310 helixtrans-65.9-17.9179.663.3-33000113.4Y197Y197-N199 VanDerWaalsContact C-N 3.29Å; Y197-N199 WeakPolarHBondContact CB-OD1 3.39Å; Y197-N199 PolarHBondContact O-N 3.29Å
200E95.4Very high91.9Very high57 Ų5757.5 Ų57.527%0.26629%0.291SS..G310 helixtrans-91.1-9.4179-62.5173.2164.100112.9V195 M196 Y197 E198 F202 S203 H204V195-E200 HydrophobicContact CG1-CB 4.12Å; M196-E200 PolarHBondContact N-OE2 3.49Å; Y197-E200 PolarHBondContact N-OE2 3.42Å; Y197-E200 WeakPolarHBondContact O-CB 3.47Å; Y197-E200 PolarHBondContact O-N 3.3Å; Y197-E200 VanDerWaalsContact O-N 3.1Å; E198-E200 PolarHBondContact O-N 2.98Å; E200-F202 PolarHBondContact O-N 3.28Å; E200-S203 PolarHBondContact O-N 3.11Å; E200-S203 PolarHBondContact O-OG 3.28Å; E200-H204 PolarHBondContact O-N 2.72Å; E200-H204 PolarHBondContact O-ND1 2.74Å
201F96.8Very high92.4Very high0 Ų055 Ų550%028%0.28CS..Hα-helixtrans-58.7-50.8-166.3-177.2-93.9000113.4L168 R169 A172 Y177 L181 V195 E198 H204 L205L168-F201 VanDerWaalsContact C-CZ 3.43Å; L168-F201 HydrophobicContact CB-CE1 4.24Å; L168-F201 HydrophobicContact CB-CZ 3.86Å; R169-F201 VanDerWaalsContact CA-CE1 3.45Å; R169-F201 HydrophobicContact CB-CD1 3.69Å; R169-F201 HydrophobicContact CB-CE1 3.57Å; R169-F201 HydrophobicContact CB-CG 4.45Å; R169-F201 HydrophobicContact CB-CZ 4.24Å; R169-F201 HydrophobicContact CG-CD1 4.01Å; R169-F201 HydrophobicContact CG-CE1 4.36Å; R169-F201 HydrophobicContact CG-CG 4.4Å; A172-F201 HydrophobicContact CB-CD2 3.82Å; A172-F201 HydrophobicContact CB-CE2 3.42Å; A172-F201 VanDerWaalsContact CB-CE2 3.42Å; A172-F201 HydrophobicContact CB-CZ 4.19Å; Y177-F201 HydrophobicContact CE1-CD2 4.24Å; L181-F201 HydrophobicContact CD1-CE2 4.45Å; L181-F201 HydrophobicContact CD2-CE2 3.84Å; L181-F201 HydrophobicContact CD2-CZ 4.2Å; V195-F201 HydrophobicContact CG1-CB 4.27Å; V195-F201 HydrophobicContact CG1-CD2 4.37Å; E198-F201 VanDerWaalsContact O-CB 3.31Å; E198-F201 WeakPolarHBondContact O-CB 3.32Å; E198-F201 PolarHBondContact O-N 2.9Å; F201-H204 PolarHBondContact O-N 2.71Å; F201-L205 HydrophobicContact CE1-CB 4.45Å; F201-L205 HydrophobicContact CE1-CD2 3.85Å; F201-L205 HydrophobicContact CZ-CD2 4.41Å; F201-L205 VanDerWaalsContact O-CB 3.3Å; F201-L205 WeakPolarHBondContact O-CB 3.16Å; F201-L205 PolarHBondContact O-N 3.43Å
202F95.8Very high92.7Very high73 Ų7355 Ų5532%0.3228%0.28SS..Hα-helixtrans-68.8-38.8-175.1-66.4-59.7000112.8D165 R169 E200 H204 L205 H206D165-F202 HydrophobicContact CB-CD1 4.29Å; D165-F202 HydrophobicContact CB-CE1 3.89Å; R169-F202 HydrophobicContact CB-CE1 4.37Å; R169-F202 HydrophobicContact CB-CZ 4.42Å; R169-F202 VanDerWaalsContact CD-CZ 3.47Å; R169-F202 VanDerWaalsContact NH1-CE2 3.26Å; E200-F202 PolarHBondContact O-N 3.28Å; F202-H204 PolarHBondContact O-N 3.31Å; F202-L205 PolarHBondContact O-N 3.2Å; F202-H206 PolarHBondContact O-CD2 2.94Å; F202-H206 PolarHBondContact O-N 2.9Å
203S92.9Very high92.7Very high75 Ų7558.6 Ų58.652%0.52430%0.295SS..Hα-helixtrans-63.3-4417959.80000111.2E200 S207E200-S203 PolarHBondContact O-N 3.11Å; E200-S203 PolarHBondContact O-OG 3.28Å; S203-S207 WeakPolarHBondContact O-CB 3.45Å; S203-S207 PolarHBondContact O-N 3.31Å
204H94.9Very high92.1Very high53 Ų5360 Ų6025%0.24532%0.315CS..Hα-helixtrans-68.1-39.1176.4-7181.5000112.2L181 R193 A194 V195 E200 F201 F202 S207 A208L181-H204 HydrophobicContact CD1-CB 4.22Å; R193-H204 HydrophobicContact CB-CB 4.02Å; R193-H204 HydrophobicContact CG-CB 4.37Å; A194-H204 PolarHBondContact O-CD2 3.29Å; V195-H204 HydrophobicContact CG2-CB 3.73Å; E200-H204 PolarHBondContact O-N 2.72Å; E200-H204 PolarHBondContact O-ND1 2.74Å; F201-H204 PolarHBondContact O-N 2.71Å; F202-H204 PolarHBondContact O-N 3.31Å; H204-S207 PolarHBondContact O-N 3.36Å; H204-A208 VanDerWaalsContact O-CB 3.27Å; H204-A208 WeakPolarHBondContact O-CB 3.45Å; H204-A208 PolarHBondContact O-N 2.83Å
205L95.9Very high91.2Very high0 Ų060.7 Ų60.70%032%0.318CS..Hα-helixtrans-61-49.3175.3179.164.6000111.8D165 L168 L181 F201 F202 S207 A208 R209 M221D165-L205 HydrophobicContact CB-CD2 4.22Å; L168-L205 HydrophobicContact CD1-CD1 3.85Å; L168-L205 HydrophobicContact CD1-CD2 4.06Å; L181-L205 HydrophobicContact CD1-CB 3.94Å; L181-L205 HydrophobicContact CD1-CD1 4.27Å; F201-L205 HydrophobicContact CE1-CB 4.45Å; F201-L205 HydrophobicContact CE1-CD2 3.85Å; F201-L205 HydrophobicContact CZ-CD2 4.41Å; F201-L205 VanDerWaalsContact O-CB 3.3Å; F201-L205 WeakPolarHBondContact O-CB 3.16Å; F201-L205 PolarHBondContact O-N 3.43Å; F202-L205 PolarHBondContact O-N 3.2Å; L205-S207 VanDerWaalsContact C-N 3.34Å; L205-S207 PolarHBondContact O-N 3.05Å; L205-A208 PolarHBondContact O-N 3.41Å; L205-R209 HydrophobicContact CD1-CG 4.32Å; L205-R209 WeakPolarHBondContact O-CB 3.38Å; L205-R209 WeakPolarHBondContact O-CG 3.38Å; L205-R209 PolarHBondContact O-N 2.85Å; L205-M221 HydrophobicContact CD1-CB 4.22Å; L205-M221 HydrophobicContact CD1-CG 3.75Å
206H93.3Very high90.4Very high98 Ų9864.6 Ų64.645%0.45434%0.335SS..Hα-helixtrans-63.1-40.8178.9-70.3-53.8000112D165 F202 S210D165-H206 IonicContact OD2-CE1 3.85Å; D165-H206 PolarHBondContact OD2-CE1 2.95Å; D165-H206 VanDerWaalsContact OD2-CE1 3.31Å; D165-H206 IonicContact OD2-NE2 2.69Å; F202-H206 PolarHBondContact O-CD2 2.94Å; F202-H206 PolarHBondContact O-N 2.9Å; H206-S210 WeakPolarHBondContact O-CB 3.46Å; H206-S210 PolarHBondContact O-N 3.01Å; H206-S210 PolarHBondContact O-OG 2.88Å
207S89.7Confident89.9Confident52 Ų5264.3 Ų64.336%0.36435%0.35SS..Hα-helixtrans-62-50.2175.4-177.60000111.4R193 S203 H204 L205 R209 S210 E211R193-S207 PolarHBondContact NH2-OG 2.77Å; R193-S207 VanDerWaalsContact NH2-OG 3.11Å; S203-S207 WeakPolarHBondContact O-CB 3.45Å; S203-S207 PolarHBondContact O-N 3.31Å; H204-S207 PolarHBondContact O-N 3.36Å; L205-S207 VanDerWaalsContact C-N 3.34Å; L205-S207 PolarHBondContact O-N 3.05Å; S207-R209 PolarHBondContact O-N 3.3Å; S207-S210 PolarHBondContact O-N 3.49Å; S207-E211 PolarHBondContact O-N 3.44Å
208A91.2Very high89.3Confident0 Ų058.6 Ų58.60%033%0.33CS..Hα-helixtrans-61.6-42.2-179.200000112.1R193 H204 L205 E211 A212 M221R193-A208 HydrophobicContact CG-CB 3.89Å; H204-A208 VanDerWaalsContact O-CB 3.27Å; H204-A208 WeakPolarHBondContact O-CB 3.45Å; H204-A208 PolarHBondContact O-N 2.83Å; L205-A208 PolarHBondContact O-N 3.41Å; A208-E211 PolarHBondContact O-N 3.4Å; A208-A212 VanDerWaalsContact O-CB 3.31Å; A208-A212 WeakPolarHBondContact O-CB 3.19Å; A208-A212 PolarHBondContact O-N 3.47Å; A208-M221 HydrophobicContact CB-CE 3.53Å; A208-M221 HydrophobicContact CB-SD 4.42Å
209R92.2Very high89.1Confident34 Ų3458.1 Ų58.113%0.12833%0.33CS..Hα-helixtrans-64.3-43.7175.5-80.2-170.2165.6154.51.4113.5Q163 D165 L205 S207 E211 A212 K213 D219 M221Q163-R209 PolarHBondContact O-NH2 2.85Å; D165-R209 IonicContact OD1-CZ 3.16Å; D165-R209 IonicContact OD1-NH1 3.81Å; D165-R209 PolarHBondContact OD1-NH1 2.91Å; D165-R209 IonicContact OD1-NH2 3.71Å; L205-R209 HydrophobicContact CD1-CG 4.32Å; L205-R209 WeakPolarHBondContact O-CB 3.38Å; L205-R209 WeakPolarHBondContact O-CG 3.38Å; L205-R209 PolarHBondContact O-N 2.85Å; S207-R209 PolarHBondContact O-N 3.3Å; R209-E211 VanDerWaalsContact C-N 3.28Å; R209-E211 PolarHBondContact O-N 2.77Å; R209-A212 PolarHBondContact O-N 3.43Å; R209-K213 VanDerWaalsContact O-CB 3.26Å; R209-K213 WeakPolarHBondContact O-CB 3.42Å; R209-K213 PolarHBondContact O-N 2.89Å; R209-D219 HydrophobicContact CB-CB 4.32Å; R209-D219 HydrophobicContact CG-CB 4.34Å; R209-D219 WeakPolarHBondContact CG-O 3.43Å; R209-D219 PolarHBondContact NE-O 3.34Å; R209-D219 VanDerWaalsContact NE-O 3.15Å; R209-M221 HydrophobicContact CG-CG 3.59Å; R209-M221 HydrophobicContact CG-SD 3.8Å
210S87.9Confident88.9Confident78 Ų7855.8 Ų55.855%0.54531%0.31SS..Hα-helixtrans-63.1-40.9-179.9-58.40000110.6H206 S207 S214H206-S210 WeakPolarHBondContact O-CB 3.46Å; H206-S210 PolarHBondContact O-N 3.01Å; H206-S210 PolarHBondContact O-OG 2.88Å; S207-S210 PolarHBondContact O-N 3.49Å; S210-S214 WeakPolarHBondContact O-CB 3.41Å; S210-S214 PolarHBondContact O-N 3.34Å; S210-S214 PolarHBondContact O-OG 2.89Å
211E84.5Confident88.9Confident47 Ų4753.1 Ų53.122%0.2230%0.298CS..Hα-helixtrans-65.9-43174.4-168.6-177.2168.200112.3K190 G191 R193 S207 A208 R209 S214 S215K190-E211 WeakPolarHBondContact CA-OE1 3.4Å; K190-E211 WeakPolarHBondContact CB-OE1 3.5Å; G191-E211 PolarHBondContact N-OE1 3.27Å; G191-E211 VanDerWaalsContact N-OE1 3.11Å; G191-E211 PolarHBondContact N-OE2 3.48Å; R193-E211 IonicContact CZ-OE2 2.72Å; R193-E211 IonicContact NH1-OE2 2.74Å; R193-E211 PolarHBondContact NH1-OE2 2.98Å; R193-E211 IonicContact NH2-OE2 2.69Å; R193-E211 PolarHBondContact NH2-OE2 2.68Å; S207-E211 PolarHBondContact O-N 3.44Å; A208-E211 PolarHBondContact O-N 3.4Å; R209-E211 VanDerWaalsContact C-N 3.28Å; R209-E211 PolarHBondContact O-N 2.77Å; E211-S214 WeakPolarHBondContact CA-OG 3.36Å; E211-S214 PolarHBondContact O-OG 2.91Å; E211-S215 VanDerWaalsContact O-CB 3.23Å; E211-S215 WeakPolarHBondContact O-CB 3.15Å; E211-S215 PolarHBondContact O-N 2.79Å; E211-S215 PolarHBondContact O-OG 2.86Å
212A85.3Confident88.7Confident0 Ų053.1 Ų53.10%030%0.298CS..Hα-helixtrans-63.9-45.917800000112.3A183 A208 R209 S215 F216 G217 D218A183-A212 HydrophobicContact CB-CB 3.41Å; A183-A212 VanDerWaalsContact CB-CB 3.41Å; A208-A212 VanDerWaalsContact O-CB 3.31Å; A208-A212 WeakPolarHBondContact O-CB 3.19Å; A208-A212 PolarHBondContact O-N 3.47Å; R209-A212 PolarHBondContact O-N 3.43Å; A212-S215 PolarHBondContact O-N 2.83Å; A212-F216 WeakPolarHBondContact O-CA 3.27Å; A212-F216 PolarHBondContact O-N 3.18Å; A212-G217 PolarHBondContact O-N 3.24Å; A212-D218 CarbonylContact C-O 3.41Å; A212-D218 VanDerWaalsContact CB-O 3.28Å; A212-D218 WeakPolarHBondContact CB-O 3.43Å
213K87.3Confident88.7Confident122 Ų12249.6 Ų49.653%0.5328%0.282SS..Hα-helixtrans-63.5-43.6178.4-168.5169.4-173.4163.50112.1R209 G217 D219R209-K213 VanDerWaalsContact O-CB 3.26Å; R209-K213 WeakPolarHBondContact O-CB 3.42Å; R209-K213 PolarHBondContact O-N 2.89Å; K213-G217 VanDerWaalsContact O-CA 3.26Å; K213-G217 WeakPolarHBondContact O-CA 3.49Å; K213-G217 PolarHBondContact O-N 3.08Å; K213-D219 HydrophobicContact CB-CB 4.21Å; K213-D219 HydrophobicContact CD-CB 4.45Å
214S78.1Confident88.8Confident95 Ų9546.4 Ų46.466%0.66426%0.259SS*.Hα-helixtrans-68.3-38.3177.751.40000112.5S210 E211S210-S214 WeakPolarHBondContact O-CB 3.41Å; S210-S214 PolarHBondContact O-N 3.34Å; S210-S214 PolarHBondContact O-OG 2.89Å; E211-S214 WeakPolarHBondContact CA-OG 3.36Å; E211-S214 PolarHBondContact O-OG 2.91Å
215S73.8Confident88.8Confident50 Ų5047.1 Ų47.135%0.3526%0.262SS..Hα-helixtrans-84.6-35.2-175.9-60.30000114E211 A212E211-S215 VanDerWaalsContact O-CB 3.23Å; E211-S215 WeakPolarHBondContact O-CB 3.15Å; E211-S215 PolarHBondContact O-N 2.79Å; E211-S215 PolarHBondContact O-OG 2.86Å; A212-S215 PolarHBondContact O-N 2.83Å
216F79.6Confident88.7Confident82 Ų8248.6 Ų48.636%0.3627%0.268SS..Hα-helixtrans-131.5-4.7-168.1-52-72.2000114.1C185 K190 A212 D218C185-F216 HydrophobicContact CB-CB 3.92Å; C185-F216 HydrophobicContact CB-CG 4.3Å; C185-F216 WeakPolarHBondContact O-CD2 3.43Å; C185-F216 WeakPolarHBondContact O-CG 3.47Å; K190-F216 HydrophobicContact CB-CE2 4.05Å; K190-F216 HydrophobicContact CB-CZ 4.27Å; A212-F216 WeakPolarHBondContact O-CA 3.27Å; A212-F216 PolarHBondContact O-N 3.18Å; F216-D218 PolarHBondContact O-N 3.19Å
217G83.8Confident88.6Confident66 Ų6645.2 Ų45.268%0.6825%0.253SS*.SBendtrans72.86.5-179.600000115.2A212 K213A212-G217 PolarHBondContact O-N 3.24Å; K213-G217 VanDerWaalsContact O-CA 3.26Å; K213-G217 WeakPolarHBondContact O-CA 3.49Å; K213-G217 PolarHBondContact O-N 3.08Å
218D85.8Confident88.6Confident29 Ų2947.4 Ų47.416%0.15526%0.257CS..  trans-127.6124.2-178.6-168.7-21.1000109.6C185 A212 F216 R220C185-D218 HydrophobicContact CB-CB 4.39Å; A212-D218 CarbonylContact C-O 3.41Å; A212-D218 VanDerWaalsContact CB-O 3.28Å; A212-D218 WeakPolarHBondContact CB-O 3.43Å; F216-D218 PolarHBondContact O-N 3.19Å; D218-R220 VanDerWaalsContact OD1-CB 3.24Å; D218-R220 WeakPolarHBondContact OD1-CB 3.39Å; D218-R220 WeakPolarHBondContact OD1-CG 3.38Å; D218-R220 PolarHBondContact OD1-N 3.42Å; D218-R220 IonicContact OD1-NE 2.69Å; D218-R220 PolarHBondContact OD1-NE 3.16Å; D218-R220 VanDerWaalsContact OD1-NE 3.13Å; D218-R220 IonicContact OD2-CZ 3.59Å; D218-R220 VanDerWaalsContact OD2-CZ 3.26Å; D218-R220 IonicContact OD2-NE 3.26Å; D218-R220 PolarHBondContact OD2-NE 3.47Å; D218-R220 IonicContact OD2-NH2 3.64Å; D218-R220 PolarHBondContact OD2-NH2 2.89Å
219D90.3Very high88.6Confident66 Ų6649.4 Ų49.435%0.35327%0.271SS..  trans-104.711.1-179.164.91000113.7R209 K213R209-D219 HydrophobicContact CB-CB 4.32Å; R209-D219 HydrophobicContact CG-CB 4.34Å; R209-D219 WeakPolarHBondContact CG-O 3.43Å; R209-D219 PolarHBondContact NE-O 3.34Å; R209-D219 VanDerWaalsContact NE-O 3.15Å; K213-D219 HydrophobicContact CB-CB 4.21Å; K213-D219 HydrophobicContact CD-CB 4.45Å
220R93.5Very high88.7Confident95 Ų9548.1 Ų48.136%0.35827%0.267SS..  trans-70140.5173.3-62.5179.6-61.9141.31110.7D141 Q163 V184 D218D141-R220 IonicContact OD2-NH1 2.99Å; D141-R220 PolarHBondContact OD2-NH1 2.84Å; D141-R220 VanDerWaalsContact OD2-NH1 3.16Å; Q163-R220 HydrophobicContact CG-CB 4.43Å; Q163-R220 HydrophobicContact CG-CG 4.21Å; V184-R220 HydrophobicContact CB-CB 4.24Å; V184-R220 HydrophobicContact CG2-CB 3.7Å; V184-R220 PolarHBondContact N-O 3.44Å; D218-R220 VanDerWaalsContact OD1-CB 3.24Å; D218-R220 WeakPolarHBondContact OD1-CB 3.39Å; D218-R220 WeakPolarHBondContact OD1-CG 3.38Å; D218-R220 PolarHBondContact OD1-N 3.42Å; D218-R220 IonicContact OD1-NE 2.69Å; D218-R220 PolarHBondContact OD1-NE 3.16Å; D218-R220 VanDerWaalsContact OD1-NE 3.13Å; D218-R220 IonicContact OD2-CZ 3.59Å; D218-R220 VanDerWaalsContact OD2-CZ 3.26Å; D218-R220 IonicContact OD2-NE 3.26Å; D218-R220 PolarHBondContact OD2-NE 3.47Å; D218-R220 IonicContact OD2-NH2 3.64Å; D218-R220 PolarHBondContact OD2-NH2 2.89Å
221M94.2Very high89Confident0 Ų045 Ų450%024%0.244CC..EExtended strand (participates in β ladder)trans-123.5152.5-172-60.4-57.9-60.900112Q163 L168 L181 K182 A183 L205 A208 R209Q163-M221 PolarHBondContact NE2-O 2.74Å; Q163-M221 VanDerWaalsContact NE2-O 3.07Å; Q163-M221 PolarHBondContact OE1-O 3.31Å; L168-M221 HydrophobicContact CD1-CB 4.18Å; L181-M221 HydrophobicContact CB-CE 4.05Å; K182-M221 VanDerWaalsContact C-CE 3.46Å; K182-M221 CarbonylContact O-C 3.53Å; A183-M221 HydrophobicContact CB-SD 4.12Å; L205-M221 HydrophobicContact CD1-CB 4.22Å; L205-M221 HydrophobicContact CD1-CG 3.75Å; A208-M221 HydrophobicContact CB-CE 3.53Å; A208-M221 HydrophobicContact CB-SD 4.42Å; R209-M221 HydrophobicContact CG-CG 3.59Å; R209-M221 HydrophobicContact CG-SD 3.8Å
222I93.5Very high89.6Confident0 Ų043.1 Ų43.10%023%0.234CC..EExtended strand (participates in β ladder)trans-115.6136171.9-56.8174.9000107.1K140 Y158 H159 L181 K182 V184 E224K140-I222 HydrophobicContact CB-CD1 3.58Å; Y158-I222 WeakPolarHBondContact O-CA 3.22Å; H159-I222 HydrophobicContact CB-CG1 4.09Å; H159-I222 HydrophobicContact CB-CG2 4.21Å; L181-I222 WeakPolarHBondContact CA-O 3.45Å; K182-I222 HydrophobicContact CB-CB 4.43Å; K182-I222 PolarHBondContact N-O 2.96Å; K182-I222 PolarHBondContact O-N 3.19Å; V184-I222 HydrophobicContact CG2-CD1 4.22Å; V184-I222 HydrophobicContact CG2-CG1 3.87Å; I222-E224 HydrophobicContact CG2-CG 3.72Å
223V95.9Very high90.2Very high0 Ų043.1 Ų43.10%023%0.234CC..EExtended strand (participates in β ladder)trans-108126.3171.2-170.80000107.9G157 Y158 L168 A172 I175 V179 L181G157-V223 CarbonylContact C-O 3.52Å; G157-V223 WeakPolarHBondContact CA-O 3.3Å; Y158-V223 PolarHBondContact N-O 2.95Å; Y158-V223 PolarHBondContact O-N 3.41Å; L168-V223 HydrophobicContact CB-CG2 4.31Å; L168-V223 HydrophobicContact CD2-CG2 3.95Å; A172-V223 HydrophobicContact CB-CG1 3.93Å; I175-V223 HydrophobicContact CD1-CB 4.22Å; I175-V223 HydrophobicContact CD1-CG1 3.83Å; V179-V223 HydrophobicContact CB-CG1 4.12Å; V179-V223 HydrophobicContact CG1-CG1 4.41Å; V179-V223 HydrophobicContact CG2-CG1 4.23Å; L181-V223 HydrophobicContact CD2-CB 4.41Å; L181-V223 HydrophobicContact CD2-CG1 4.3Å; L181-V223 HydrophobicContact CD2-CG2 3.82Å
224E94.6Very high90.7Very high8 Ų837.3 Ų37.34%0.03721%0.209CC..EExtended strand (participates in β ladder)trans-130157.5179.2-60.1179.6175.700111.2K144 V155 D156 V179 M180 K182 I222 F226K144-E224 WeakPolarHBondContact CE-OE1 3.41Å; K144-E224 IonicContact NZ-OE1 2.72Å; K144-E224 PolarHBondContact NZ-OE1 2.76Å; V155-E224 HydrophobicContact CG1-CB 3.98Å; D156-E224 CarbonylContact O-C 3.53Å; D156-E224 WeakPolarHBondContact O-CA 3.4Å; V179-E224 CarbonylContact C-O 3.58Å; V179-E224 VanDerWaalsContact CA-O 3.23Å; V179-E224 WeakPolarHBondContact CA-O 3.4Å; V179-E224 VanDerWaalsContact CB-O 3.3Å; V179-E224 WeakPolarHBondContact CB-O 3.39Å; M180-E224 PolarHBondContact N-O 2.79Å; M180-E224 PolarHBondContact O-N 3.32Å; K182-E224 WeakPolarHBondContact CE-OE2 3.42Å; K182-E224 IonicContact NZ-OE1 3.89Å; K182-E224 IonicContact NZ-OE2 3.38Å; K182-E224 PolarHBondContact NZ-OE2 3.28Å; I222-E224 HydrophobicContact CG2-CG 3.72Å; E224-F226 PolarHBondContact O-N 2.75Å
225K95Very high91.7Very high68 Ų6832.8 Ų32.830%0.29618%0.178SC..EExtended strand (participates in β ladder)trans-59.8131167-172.366.5-176.7-179.90109.8V155 D156 I175 G176 I227V155-K225 HydrophobicContact CG1-CB 3.89Å; V155-K225 VanDerWaalsContact CG1-O 3.3Å; V155-K225 WeakPolarHBondContact CG1-O 3.45Å; D156-K225 PolarHBondContact O-N 2.83Å; I175-K225 HydrophobicContact CG2-CB 3.84Å; I175-K225 HydrophobicContact CG2-CD 3.75Å; I175-K225 HydrophobicContact CG2-CG 4.43Å; G176-K225 PolarHBondContact O-NZ 3.27Å; K225-I227 PolarHBondContact O-N 2.63Å
226F93.3Very high92.9Very high31 Ų3130.4 Ų30.414%0.13616%0.161CC..PPolyproline II helixtrans-74.5126.9173.4-175.9-93.5000109.7P178 M180 A194 E224 H228P178-F226 VanDerWaalsContact C-CB 3.49Å; P178-F226 HydrophobicContact CB-CB 3.79Å; P178-F226 HydrophobicContact CB-CD1 4.17Å; P178-F226 HydrophobicContact CB-CG 4.12Å; P178-F226 HydrophobicContact CG-CB 3.96Å; P178-F226 HydrophobicContact CG-CD1 3.9Å; P178-F226 HydrophobicContact CG-CG 4.25Å; P178-F226 VanDerWaalsContact O-CB 3.28Å; P178-F226 WeakPolarHBondContact O-CB 3.45Å; P178-F226 PolarHBondContact O-N 3.11Å; P178-F226 VanDerWaalsContact O-N 3.14Å; M180-F226 HydrophobicContact CB-CD2 4.33Å; M180-F226 HydrophobicContact CE-CD2 3.67Å; M180-F226 HydrophobicContact CE-CE2 3.54Å; A194-F226 HydrophobicContact CB-CD2 3.85Å; A194-F226 HydrophobicContact CB-CE2 3.6Å; A194-F226 HydrophobicContact CB-CZ 4.47Å; E224-F226 PolarHBondContact O-N 2.75Å; F226-H228 AromaticContact CD1-CE1 3.91Å; F226-H228 AromaticContact CD1-ND1 3.93Å; F226-H228 AromaticContact CE1-CE1 3.99Å; F226-H228 AromaticContact CE1-ND1 3.66Å
227I91.3Very high93.8Very high26 Ų2626.5 Ų26.513%0.13314%0.144CC..PPolyproline II helixtrans-95.1121.4173.8-50.8-58.2000107.9V155 K225 P230 D303 Y310V155-I227 HydrophobicContact CG1-CD1 4.36Å; K225-I227 PolarHBondContact O-N 2.63Å; I227-P230 HydrophobicContact CB-CB 4.28Å; I227-P230 HydrophobicContact CG2-CB 3.84Å; I227-P230 WeakPolarHBondContact O-CD 3.45Å; I227-D303 HydrophobicContact CG2-CB 4.34Å; I227-Y310 HydrophobicContact CD1-CD2 4.2Å; I227-Y310 HydrophobicContact CD1-CE2 3.95Å; I227-Y310 HydrophobicContact CG1-CD2 4.46Å
228H89.9Confident94.5Very high99 Ų9923.3 Ų23.346%0.45811%0.111SC..SBendtrans-75.9135178.9-71.3-83.1000111.5P178 F226 P230P178-H228 WeakPolarHBondContact CG-NE2 3.31Å; F226-H228 AromaticContact CD1-CE1 3.91Å; F226-H228 AromaticContact CD1-ND1 3.93Å; F226-H228 AromaticContact CE1-CE1 3.99Å; F226-H228 AromaticContact CE1-ND1 3.66Å; H228-P230 VanDerWaalsContact C-N 3.31Å
229S90.4Very high95.1Very high41 Ų4122 Ų2229%0.28710%0.104SC..SBendtrans41.153.3177-54.30000112.9Y467S229-Y467 WeakPolarHBondContact O-CB 3.3Å
230P94.3Very high95.4Very high7 Ų719 Ų195%0.0459%0.088CC..  trans-71.8151-174.630.5-31.2000110.2I227 H228 L301 I302 Y467 T468I227-P230 HydrophobicContact CB-CB 4.28Å; I227-P230 HydrophobicContact CG2-CB 3.84Å; I227-P230 WeakPolarHBondContact O-CD 3.45Å; H228-P230 VanDerWaalsContact C-N 3.31Å; P230-L301 HydrophobicContact CB-CB 4.32Å; P230-L301 HydrophobicContact CB-CD2 4.1Å; P230-L301 HydrophobicContact CG-CD2 4.27Å; P230-I302 VanDerWaalsContact CA-O 3.3Å; P230-I302 WeakPolarHBondContact CA-O 3.28Å; P230-Y467 WeakPolarHBondContact O-CA 3.31Å; P230-T468 HydrophobicContact CG-CG2 4.43Å; P230-T468 WeakPolarHBondContact CG-OG1 3.24Å; P230-T468 WeakPolarHBondContact O-CG2 3.43Å; P230-T468 PolarHBondContact O-N 2.98Å
231R95.7Very high95.4Very high14 Ų1419.6 Ų19.65%0.05310%0.098CC..EExtended strand (participates in β ladder)trans-87.8134.9162.5-76.6174.961.1-162.4-1.1109.6V233 D252 S254 P269 L301 I302 M466R231-V233 HydrophobicContact CB-CG2 4.16Å; R231-D252 IonicContact CZ-OD2 3.72Å; R231-D252 IonicContact NE-OD2 3.54Å; R231-D252 PolarHBondContact NE-OD2 3.05Å; R231-D252 IonicContact NH2-OD2 2.69Å; R231-D252 PolarHBondContact NH2-OD2 3.44Å; R231-S254 VanDerWaalsContact CA-OG 3.3Å; R231-S254 WeakPolarHBondContact CA-OG 3.37Å; R231-P269 VanDerWaalsContact CZ-O 3.24Å; R231-P269 PolarHBondContact NH1-O 2.93Å; R231-P269 PolarHBondContact NH2-O 2.77Å; R231-L301 WeakPolarHBondContact O-CA 3.35Å; R231-I302 HydrophobicContact CB-CB 4.22Å; R231-I302 PolarHBondContact N-O 2.62Å; R231-I302 PolarHBondContact O-N 2.9Å; R231-M466 WeakPolarHBondContact CG-O 3.49Å
232H96.2Very high95.5Very high6 Ų624.2 Ų24.23%0.02812%0.117CC..EExtended strand (participates in β ladder)trans-92102.5173.4-173177.1000108.3C253 S254 E299 M312 T468H232-C253 PolarHBondContact O-N 3.46Å; H232-S254 PolarHBondContact N-OG 2.91Å; H232-E299 IonicContact CE1-OE2 2.8Å; H232-E299 PolarHBondContact CE1-OE2 2.97Å; H232-E299 VanDerWaalsContact CE1-OE2 3.23Å; H232-E299 VanDerWaalsContact NE2-CD 3.32Å; H232-E299 IonicContact NE2-OE1 2.82Å; H232-E299 IonicContact NE2-OE2 2.86Å; H232-E299 PolarHBondContact NE2-OE2 3.33Å; H232-M312 WeakPolarHBondContact NE2-CE 3.14Å; H232-T468 HydrophobicContact CB-CG2 3.71Å
233V97.6Very high95.6Very high0 Ų026.3 Ų26.30%014%0.138CC..EExtended strand (participates in β ladder)trans-121.4132.6-178.8-179.40000109.8R231 E250 R251 D252 A268 M279 F300 I302R231-V233 HydrophobicContact CB-CG2 4.16Å; V233-E250 HydrophobicContact CG1-CB 3.82Å; V233-E250 HydrophobicContact CG1-CG 3.86Å; V233-R251 CarbonylContact C-O 3.55Å; V233-R251 VanDerWaalsContact CA-O 3.27Å; V233-R251 WeakPolarHBondContact CA-O 3.48Å; V233-R251 WeakPolarHBondContact CG1-O 3.38Å; V233-D252 HydrophobicContact CG2-CB 4.43Å; V233-A268 HydrophobicContact CG1-CB 3.85Å; V233-A268 HydrophobicContact CG2-CB 4.26Å; V233-M279 HydrophobicContact CB-CE 4.15Å; V233-M279 HydrophobicContact CG1-CE 3.66Å; V233-F300 PolarHBondContact N-O 3.45Å; V233-F300 CarbonylContact O-C 3.6Å; V233-F300 VanDerWaalsContact O-CA 3.3Å; V233-F300 WeakPolarHBondContact O-CA 3.27Å; V233-F300 VanDerWaalsContact O-CB 3.29Å; V233-F300 WeakPolarHBondContact O-CB 3.39Å; V233-F300 PolarHBondContact O-N 3.22Å; V233-I302 HydrophobicContact CB-CD1 3.69Å; V233-I302 HydrophobicContact CB-CG1 4.09Å; V233-I302 HydrophobicContact CG1-CD1 4.11Å; V233-I302 HydrophobicContact CG2-CD1 3.54Å; V233-I302 HydrophobicContact CG2-CG1 4.08Å
234E98.2Very high95.7Very high0 Ų028.8 Ų28.80%015%0.151CC..EExtended strand (participates in β ladder)trans-129.3145.8-172.762.1179.2-142.200111.7E250 R251 K261 T297 V298 E299 E321E234-E250 CarbonylContact O-C 3.59Å; E234-E250 WeakPolarHBondContact O-CA 3.41Å; E234-E250 WeakPolarHBondContact O-CB 3.14Å; E234-R251 HydrophobicContact CG-CB 3.87Å; E234-R251 PolarHBondContact N-O 2.8Å; E234-R251 PolarHBondContact O-N 2.84Å; E234-R251 IonicContact OE1-CZ 3.65Å; E234-R251 IonicContact OE1-NE 2.86Å; E234-R251 PolarHBondContact OE1-NE 2.89Å; E234-R251 IonicContact OE1-NH2 3.14Å; E234-R251 PolarHBondContact OE1-NH2 2.79Å; E234-K261 IonicContact OE1-NZ 3.59Å; E234-K261 IonicContact OE2-NZ 2.66Å; E234-K261 PolarHBondContact OE2-NZ 2.98Å; E234-T297 HydrophobicContact CB-CG2 3.59Å; E234-T297 HydrophobicContact CG-CG2 3.88Å; E234-V298 CarbonylContact C-O 3.56Å; E234-V298 WeakPolarHBondContact CA-O 3.49Å; E234-E299 HydrophobicContact CB-CB 4.41Å; E234-E299 HydrophobicContact CB-CG 3.99Å; E234-E321 WeakPolarHBondContact OE1-CG 3.4Å
235M98.4Very high95.9Very high0 Ų030.2 Ų30.20%016%0.156CC..EExtended strand (participates in β ladder)trans-103.7122.9178.6-87.6-74.9-171.200110.4I237 H247 F249 E250 R276 M279 A283 T297 V298 F300M235-I237 PolarHBondContact O-N 3.08Å; M235-H247 HydrophobicContact SD-CB 4.28Å; M235-F249 VanDerWaalsContact SD-C 3.51Å; M235-E250 HydrophobicContact CE-CB 3.97Å; M235-E250 HydrophobicContact CG-CB 4.24Å; M235-E250 HydrophobicContact SD-CB 3.87Å; M235-R276 HydrophobicContact CE-CG 4.08Å; M235-R276 WeakPolarHBondContact CE-O 3.44Å; M235-M279 HydrophobicContact CE-CB 3.87Å; M235-M279 HydrophobicContact CG-CB 4.4Å; M235-A283 HydrophobicContact CB-CB 3.66Å; M235-A283 HydrophobicContact CG-CB 4.12Å; M235-T297 WeakPolarHBondContact O-CA 3.18Å; M235-V298 PolarHBondContact N-O 3.17Å; M235-V298 PolarHBondContact O-N 2.86Å; M235-F300 HydrophobicContact CB-CE2 4.3Å; M235-F300 HydrophobicContact CG-CE2 4.24Å
236Q98.8Very high96.1Very high0 Ų027 Ų270%014%0.142CC..EExtended strand (participates in β ladder)trans-71.1126167.8-177.158.958.300109H247 L248 F249 G296 T297 T325 L333Q236-H247 CarbonylContact O-C 3.58Å; Q236-H247 WeakPolarHBondContact O-CA 3.31Å; Q236-L248 HydrophobicContact CB-CB 4Å; Q236-L248 HydrophobicContact CG-CB 3.86Å; Q236-L248 HydrophobicContact CG-CD1 3.76Å; Q236-L248 HydrophobicContact CG-CG 4.47Å; Q236-L248 PolarHBondContact O-N 2.94Å; Q236-F249 PolarHBondContact N-O 2.74Å; Q236-F249 VanDerWaalsContact N-O 3.17Å; Q236-G296 PolarHBondContact NE2-O 3.11Å; Q236-T297 PolarHBondContact OE1-OG1 2.92Å; Q236-T325 HydrophobicContact CB-CG2 4.18Å; Q236-T325 HydrophobicContact CG-CG2 4.13Å; Q236-L333 HydrophobicContact CG-CD1 3.78Å
237I98.6Very high96.3Very high0 Ų026.5 Ų26.50%014%0.14CC..EExtended strand (participates in β ladder)trans-121.2156.8175.555.8160.9000111M235 V246 H247 A283 A287 Y292 G296 V298 M314M235-I237 PolarHBondContact O-N 3.08Å; I237-V246 WeakPolarHBondContact CA-O 3.47Å; I237-H247 HydrophobicContact CG2-CB 4.37Å; I237-A283 HydrophobicContact CG2-CB 3.71Å; I237-A287 HydrophobicContact CD1-CB 3.64Å; I237-Y292 HydrophobicContact CD1-CD1 4.23Å; I237-Y292 HydrophobicContact CD1-CE1 4.5Å; I237-G296 WeakPolarHBondContact CG1-O 3.46Å; I237-G296 PolarHBondContact N-O 2.85Å; I237-G296 PolarHBondContact O-N 3.2Å; I237-G296 VanDerWaalsContact O-N 3.07Å; I237-V298 HydrophobicContact CD1-CG2 3.91Å; I237-V298 HydrophobicContact CG1-CG2 4.38Å; I237-V298 HydrophobicContact CG2-CG2 4.31Å; I237-M314 HydrophobicContact CD1-CE 3.32Å
238F98.5Very high96.7Very high0 Ų025.2 Ų25.20%013%0.134CC..EExtended strand (participates in β ladder)trans-137.7133.3170.2-105.7-93000109.7Y245 V246 L248 G294 A295 L333 W336 Q337 I340 L346F238-Y245 VanDerWaalsContact O-CA 3.31Å; F238-Y245 WeakPolarHBondContact O-CA 3.22Å; F238-V246 HydrophobicContact CB-CG2 4.03Å; F238-V246 PolarHBondContact N-O 3.5Å; F238-V246 PolarHBondContact O-N 2.6Å; F238-L248 HydrophobicContact CB-CD1 4.23Å; F238-L248 HydrophobicContact CD2-CD1 3.38Å; F238-L248 HydrophobicContact CE2-CD1 4.1Å; F238-L248 HydrophobicContact CG-CD1 4.15Å; F238-G294 WeakPolarHBondContact CA-O 3.41Å; F238-A295 HydrophobicContact CD2-CB 4.26Å; F238-A295 HydrophobicContact CE1-CB 4.23Å; F238-A295 HydrophobicContact CE2-CB 3.53Å; F238-A295 HydrophobicContact CZ-CB 3.54Å; F238-L333 HydrophobicContact CE2-CB 3.97Å; F238-L333 HydrophobicContact CE2-CD1 4.15Å; F238-L333 HydrophobicContact CE2-CD2 3.93Å; F238-L333 HydrophobicContact CE2-CG 4.21Å; F238-L333 HydrophobicContact CZ-CB 4.15Å; F238-L333 WeakPolarHBondContact CZ-O 3.42Å; F238-W336 HydrophobicContact CB-CE3 4.28Å; F238-W336 HydrophobicContact CB-CZ3 4.42Å; F238-W336 HydrophobicContact CD1-CB 4.13Å; F238-W336 AromaticContact CD1-CE3 3.92Å; F238-W336 HydrophobicContact CD1-CE3 3.92Å; F238-W336 HydrophobicContact CD2-CE3 4.37Å; F238-W336 HydrophobicContact CE1-CB 3.4Å; F238-W336 VanDerWaalsContact CE1-CB 3.4Å; F238-W336 HydrophobicContact CE1-CE3 4.31Å; F238-W336 HydrophobicContact CE1-CG 4.49Å; F238-W336 HydrophobicContact CE2-CB 4.48Å; F238-W336 AromaticContact CG-CE3 3.92Å; F238-W336 HydrophobicContact CG-CE3 3.92Å; F238-W336 HydrophobicContact CZ-CB 3.59Å; F238-Q337 HydrophobicContact CE1-CG 4.1Å; F238-Q337 HydrophobicContact CZ-CG 3.84Å; F238-I340 HydrophobicContact CD1-CD1 3.35Å; F238-I340 HydrophobicContact CE1-CD1 3.66Å; F238-L346 HydrophobicContact CB-CD2 3.83Å; F238-L346 HydrophobicContact CD1-CD2 4.18Å; F238-L346 HydrophobicContact CG-CD2 4.43Å
239G98.2Very high97.1Very high0 Ų022 Ų220%012%0.119CC..EExtended strand (participates in β ladder)trans-122.9151.4169.900000111.2N244 Y292 A293 G294G239-N244 VanDerWaalsContact CA-O 3.31Å; G239-N244 WeakPolarHBondContact CA-O 3.45Å; G239-Y292 WeakPolarHBondContact CA-O 3.36Å; G239-A293 CarbonylContact O-C 3.48Å; G239-A293 WeakPolarHBondContact O-CA 3.23Å; G239-G294 PolarHBondContact N-O 2.87Å; G239-G294 PolarHBondContact O-N 3.04Å
240D97.4Very high97.4Very high4 Ų420 Ų202%0.02111%0.105CC..  trans-112.6172.7169.266.722.9000112.6Y242 G243 N244 I340 P345 L346D240-Y242 HydrophobicContact CB-CD2 4.25Å; D240-Y242 PolarHBondContact O-N 3.43Å; D240-Y242 VanDerWaalsContact O-N 3.08Å; D240-Y242 WeakPolarHBondContact OD1-CA 3.21Å; D240-Y242 WeakPolarHBondContact OD1-CB 2.98Å; D240-Y242 PolarHBondContact OD1-N 2.93Å; D240-G243 PolarHBondContact O-N 3.36Å; D240-G243 PolarHBondContact OD1-N 2.75Å; D240-N244 PolarHBondContact N-O 2.87Å; D240-N244 WeakPolarHBondContact OD1-CB 3.38Å; D240-N244 PolarHBondContact OD1-N 3.41Å; D240-N244 PolarHBondContact OD1-ND2 2.9Å; D240-N244 VanDerWaalsContact OD1-ND2 3.17Å; D240-N244 WeakPolarHBondContact OD2-CB 3.33Å; D240-N244 PolarHBondContact OD2-ND2 2.83Å; D240-I340 HydrophobicContact CB-CG1 4.29Å; D240-I340 HydrophobicContact CB-CG2 4.35Å; D240-P345 WeakPolarHBondContact OD2-CA 3.32Å; D240-L346 HydrophobicContact CB-CG 4.02Å; D240-L346 PolarHBondContact OD2-N 3.04Å
241N94.3Very high97.6Very high107 Ų10719.7 Ų19.757%0.57210%0.103SC*.THydrogen-bonded Turntrans-72.85.4178.9-62.1-47.6000113.6I340N241-I340 PolarHBondContact ND2-O 3.46Å
242Y96Very high97.7Very high98 Ų9819.2 Ų19.238%0.38410%0.102SC..THydrogen-bonded Turntrans-110.87.4-178.7-54.5-85.2000112.1S21 D240 N244 G343 P345S21-Y242 PolarHBondContact OG-OH 2.89Å; D240-Y242 HydrophobicContact CB-CD2 4.25Å; D240-Y242 PolarHBondContact O-N 3.43Å; D240-Y242 VanDerWaalsContact O-N 3.08Å; D240-Y242 WeakPolarHBondContact OD1-CA 3.21Å; D240-Y242 WeakPolarHBondContact OD1-CB 2.98Å; D240-Y242 PolarHBondContact OD1-N 2.93Å; Y242-N244 VanDerWaalsContact C-N 3.34Å; Y242-G343 WeakPolarHBondContact CE2-O 3.26Å; Y242-G343 PolarHBondContact OH-O 3.28Å; Y242-P345 HydrophobicContact CD2-CB 3.78Å; Y242-P345 HydrophobicContact CE2-CB 3.92Å
243G95.8Very high97.8Very high43 Ų4319 Ų1944%0.44310%0.1SC..SBendtrans76.819179.800000113.8D240 Y245D240-G243 PolarHBondContact O-N 3.36Å; D240-G243 PolarHBondContact OD1-N 2.75Å; G243-Y245 WeakPolarHBondContact O-CD2 3.31Å; G243-Y245 WeakPolarHBondContact O-CE2 3.39Å
244N97.9Very high97.7Very high52 Ų5219 Ų1928%0.27810%0.101SC..  trans-90.8140.8170.8-52-70.2000109.8G239 D240 Y242 L346 R349G239-N244 VanDerWaalsContact CA-O 3.31Å; G239-N244 WeakPolarHBondContact CA-O 3.45Å; D240-N244 PolarHBondContact N-O 2.87Å; D240-N244 WeakPolarHBondContact OD1-CB 3.38Å; D240-N244 PolarHBondContact OD1-N 3.41Å; D240-N244 PolarHBondContact OD1-ND2 2.9Å; D240-N244 VanDerWaalsContact OD1-ND2 3.17Å; D240-N244 WeakPolarHBondContact OD2-CB 3.33Å; D240-N244 PolarHBondContact OD2-ND2 2.83Å; Y242-N244 VanDerWaalsContact C-N 3.34Å; N244-L346 HydrophobicContact CB-CD1 3.83Å; N244-R349 HydrophobicContact CB-CG 4.45Å
245Y98.3Very high97.7Very high38 Ų3819.2 Ų19.215%0.14910%0.102CC..EExtended strand (participates in β ladder)trans-138.6137.1-179.3-53.2-82.5000110.4F238 G243 A287 N291 Y292F238-Y245 VanDerWaalsContact O-CA 3.31Å; F238-Y245 WeakPolarHBondContact O-CA 3.22Å; G243-Y245 WeakPolarHBondContact O-CD2 3.31Å; G243-Y245 WeakPolarHBondContact O-CE2 3.39Å; Y245-A287 HydrophobicContact CD1-CB 3.75Å; Y245-A287 HydrophobicContact CE1-CB 4.2Å; Y245-A287 HydrophobicContact CG-CB 4.42Å; Y245-N291 WeakPolarHBondContact OH-CA 3.44Å; Y245-Y292 VanDerWaalsContact CE1-O 3.31Å; Y245-Y292 WeakPolarHBondContact CE1-O 3.43Å
246V98.5Very high97.5Very high0 Ų020.2 Ų20.20%011%0.107CC..EExtended strand (participates in β ladder)trans-137.4154.2174.7-63.40000110.9I237 F238 W336 L346 R349 I354I237-V246 WeakPolarHBondContact CA-O 3.47Å; F238-V246 HydrophobicContact CB-CG2 4.03Å; F238-V246 PolarHBondContact N-O 3.5Å; F238-V246 PolarHBondContact O-N 2.6Å; V246-W336 HydrophobicContact CG2-CZ3 3.98Å; V246-L346 HydrophobicContact CG1-CD1 4.09Å; V246-L346 HydrophobicContact CG2-CD1 3.92Å; V246-L346 HydrophobicContact CG2-CD2 4.28Å; V246-R349 WeakPolarHBondContact CG1-O 3.38Å; V246-I354 HydrophobicContact CB-CD1 3.65Å; V246-I354 HydrophobicContact CG1-CD1 4.06Å; V246-I354 HydrophobicContact CG2-CD1 3.8Å
247H98.4Very high97.2Very high21 Ų2121 Ų2110%0.09711%0.11CC..EExtended strand (participates in β ladder)trans-110.1144.3170.974.889.4000110.3M235 Q236 I237 I284 Q351M235-H247 HydrophobicContact SD-CB 4.28Å; Q236-H247 CarbonylContact O-C 3.58Å; Q236-H247 WeakPolarHBondContact O-CA 3.31Å; I237-H247 HydrophobicContact CG2-CB 4.37Å; H247-I284 HydrophobicContact CB-CD1 4.29Å; H247-Q351 PolarHBondContact CD2-OE1 3.36Å; H247-Q351 PolarHBondContact O-NE2 3.1Å; H247-Q351 PolarHBondContact O-OE1 2.95Å
248L98.4Very high96.6Very high0 Ų027.8 Ų27.80%014%0.136CC..EExtended strand (participates in β ladder)trans-11248.6-176.5-65.2133.6000110.1Q236 F238 T325 T329 M331 L333 W336 I354Q236-L248 HydrophobicContact CB-CB 4Å; Q236-L248 HydrophobicContact CG-CB 3.86Å; Q236-L248 HydrophobicContact CG-CD1 3.76Å; Q236-L248 HydrophobicContact CG-CG 4.47Å; Q236-L248 PolarHBondContact O-N 2.94Å; F238-L248 HydrophobicContact CB-CD1 4.23Å; F238-L248 HydrophobicContact CD2-CD1 3.38Å; F238-L248 HydrophobicContact CE2-CD1 4.1Å; F238-L248 HydrophobicContact CG-CD1 4.15Å; L248-T325 HydrophobicContact CB-CG2 3.7Å; L248-T325 WeakPolarHBondContact O-CG2 3.41Å; L248-T329 HydrophobicContact CB-CG2 4.45Å; L248-T329 HydrophobicContact CD2-CG2 4.34Å; L248-M331 HydrophobicContact CD2-CE 4.4Å; L248-M331 HydrophobicContact CD2-CG 4.49Å; L248-M331 HydrophobicContact CD2-SD 3.26Å; L248-M331 WeakPolarHBondContact CD2-SD 3.35Å; L248-L333 HydrophobicContact CD1-CD2 3.98Å; L248-L333 HydrophobicContact CD2-CD2 4.39Å; L248-W336 HydrophobicContact CD2-CH2 4.44Å; L248-W336 HydrophobicContact CD2-CZ3 4.46Å; L248-I354 HydrophobicContact CD2-CG2 4.08Å
249F98.3Very high96Very high30 Ų3031.1 Ų31.113%0.13216%0.158CC..EExtended strand (participates in β ladder)trans61.2174.9-174.3-62.1-95.8000114M235 Q236 I328 T329 I354 A356M235-F249 VanDerWaalsContact SD-C 3.51Å; Q236-F249 PolarHBondContact N-O 2.74Å; Q236-F249 VanDerWaalsContact N-O 3.17Å; F249-I328 HydrophobicContact CB-CD1 4.12Å; F249-T329 HydrophobicContact CD2-CG2 4.23Å; F249-I354 HydrophobicContact CD2-CG2 4.42Å; F249-I354 HydrophobicContact CE2-CG2 4.05Å; F249-I354 WeakPolarHBondContact CE2-O 3.47Å; F249-A356 HydrophobicContact CD1-CB 3.86Å; F249-A356 HydrophobicContact CD2-CB 3.77Å; F249-A356 HydrophobicContact CE1-CB 3.72Å; F249-A356 HydrophobicContact CE2-CB 3.62Å; F249-A356 HydrophobicContact CG-CB 3.9Å; F249-A356 HydrophobicContact CZ-CB 3.61Å
250E98.2Very high95.7Very high0 Ų033 Ų330%017%0.167CC..EExtended strand (participates in β ladder)trans-98.1157.2-178.972.9-66.8163.900113.2V233 E234 M235 P267 A268 R276V233-E250 HydrophobicContact CG1-CB 3.82Å; V233-E250 HydrophobicContact CG1-CG 3.86Å; E234-E250 CarbonylContact O-C 3.59Å; E234-E250 WeakPolarHBondContact O-CA 3.41Å; E234-E250 WeakPolarHBondContact O-CB 3.14Å; M235-E250 HydrophobicContact CE-CB 3.97Å; M235-E250 HydrophobicContact CG-CB 4.24Å; M235-E250 HydrophobicContact SD-CB 3.87Å; E250-P267 WeakPolarHBondContact OE1-CB 3.36Å; E250-A268 HydrophobicContact CG-CB 3.45Å; E250-A268 VanDerWaalsContact CG-CB 3.45Å; E250-A268 PolarHBondContact OE1-N 2.85Å; E250-R276 VanDerWaalsContact CD-NE 3.29Å; E250-R276 IonicContact OE1-CZ 3.87Å; E250-R276 IonicContact OE1-NE 2.65Å; E250-R276 PolarHBondContact OE1-NE 3.5Å; E250-R276 IonicContact OE1-NH2 2.77Å; E250-R276 PolarHBondContact OE1-NH2 3.09Å; E250-R276 WeakPolarHBondContact OE2-CD 3.07Å; E250-R276 WeakPolarHBondContact OE2-CG 3.41Å; E250-R276 IonicContact OE2-CZ 2.78Å; E250-R276 IonicContact OE2-NE 3.15Å; E250-R276 PolarHBondContact OE2-NE 2.87Å
251R98.6Very high95.6Very high0 Ų033.7 Ų33.70%017%0.17CC..EExtended strand (participates in β ladder)trans-119.6143.8170.8-57.4-178.1-72.7-96.5-0.9109.7V233 E234 E265 A266 T297 E321 V324 T325V233-R251 CarbonylContact C-O 3.55Å; V233-R251 VanDerWaalsContact CA-O 3.27Å; V233-R251 WeakPolarHBondContact CA-O 3.48Å; V233-R251 WeakPolarHBondContact CG1-O 3.38Å; E234-R251 HydrophobicContact CG-CB 3.87Å; E234-R251 PolarHBondContact N-O 2.8Å; E234-R251 PolarHBondContact O-N 2.84Å; E234-R251 IonicContact OE1-CZ 3.65Å; E234-R251 IonicContact OE1-NE 2.86Å; E234-R251 PolarHBondContact OE1-NE 2.89Å; E234-R251 IonicContact OE1-NH2 3.14Å; E234-R251 PolarHBondContact OE1-NH2 2.79Å; R251-E265 CarbonylContact C-O 3.59Å; R251-E265 WeakPolarHBondContact CA-O 3.21Å; R251-A266 HydrophobicContact CG-CB 4.09Å; R251-T297 PolarHBondContact NH2-OG1 3.4Å; R251-E321 WeakPolarHBondContact CD-O 3.13Å; R251-V324 HydrophobicContact CG-CG2 3.82Å; R251-T325 WeakPolarHBondContact CD-OG1 3Å; R251-T325 PolarHBondContact NH1-OG1 3.25Å
252D97.8Very high95.8Very high5 Ų528.6 Ų28.63%0.02714%0.142CC..EExtended strand (participates in β ladder)trans-100.2123.3167.4-165.1-43.1000109.4R231 V233 S254 E264 E265 A268R231-D252 IonicContact CZ-OD2 3.72Å; R231-D252 IonicContact NE-OD2 3.54Å; R231-D252 PolarHBondContact NE-OD2 3.05Å; R231-D252 IonicContact NH2-OD2 2.69Å; R231-D252 PolarHBondContact NH2-OD2 3.44Å; V233-D252 HydrophobicContact CG2-CB 4.43Å; D252-S254 WeakPolarHBondContact OD1-CB 3.27Å; D252-S254 PolarHBondContact OD1-N 2.94Å; D252-S254 PolarHBondContact OD1-OG 3.18Å; D252-E264 WeakPolarHBondContact O-CA 3.5Å; D252-E265 HydrophobicContact CB-CG 3.84Å; D252-E265 PolarHBondContact N-O 2.94Å; D252-E265 PolarHBondContact O-N 3.38Å; D252-A268 HydrophobicContact CB-CB 3.86Å
253C97.5Very high95.9Very high0 Ų024.1 Ų24.10%013%0.125CC..EExtended strand (participates in β ladder)trans-120.124.4-178.5-570000111.4H232 A255 K261 E264H232-C253 PolarHBondContact O-N 3.46Å; C253-A255 PolarHBondContact O-N 2.94Å; C253-K261 HydrophobicContact CB-CD 3.66Å; C253-K261 HydrophobicContact CB-CG 4.03Å; C253-E264 HydrophobicContact CB-CG 4.31Å
254S96.8Very high96Very high1 Ų122 Ų221%0.00710%0.104CC..EExtended strand (participates in β ladder)trans-66.4-24.8-174.4-56.40000113.1R231 H232 D252 Q256R231-S254 VanDerWaalsContact CA-OG 3.3Å; R231-S254 WeakPolarHBondContact CA-OG 3.37Å; H232-S254 PolarHBondContact N-OG 2.91Å; D252-S254 WeakPolarHBondContact OD1-CB 3.27Å; D252-S254 PolarHBondContact OD1-N 2.94Å; D252-S254 PolarHBondContact OD1-OG 3.18Å; S254-Q256 VanDerWaalsContact C-N 3.28Å; S254-Q256 PolarHBondContact O-N 3.36Å
255A96.3Very high96.1Very high5 Ų519.9 Ų19.94%0.0419%0.092CC..EExtended strand (participates in β ladder)trans-76.177.1176.600000111.1C253 L262 I263 L454 M466C253-A255 PolarHBondContact O-N 2.94Å; A255-L262 PolarHBondContact O-N 3.11Å; A255-I263 HydrophobicContact CB-CB 3.85Å; A255-I263 PolarHBondContact O-N 3Å; A255-L454 HydrophobicContact CB-CD2 4.31Å; A255-M466 HydrophobicContact CB-CE 3.76Å
256Q95.1Very high96.1Very high20 Ų2018 Ų189%0.0939%0.085CC..EExtended strand (participates in β ladder)trans-132.4148.7-175.164.6179.513.200112.6S254 Q260 T468S254-Q256 VanDerWaalsContact C-N 3.28Å; S254-Q256 PolarHBondContact O-N 3.36Å; Q256-Q260 CarbonylContact C-O 3.49Å; Q256-Q260 WeakPolarHBondContact CA-O 3.5Å; Q256-Q260 VanDerWaalsContact CB-O 3.32Å; Q256-Q260 WeakPolarHBondContact CB-O 3.45Å; Q256-T468 VanDerWaalsContact NE2-CG2 3.29Å
257R91.7Very high96Very high18 Ų1819.2 Ų19.27%0.0689%0.092CC..EExtended strand (participates in β ladder)trans-112.2121.6177178.2-164.671.9114.6-10.3109.1C259 Q260 L262 E368 F374 I471R257-C259 PolarHBondContact O-N 3.04Å; R257-C259 VanDerWaalsContact O-N 3.12Å; R257-Q260 PolarHBondContact N-O 2.98Å; R257-Q260 WeakPolarHBondContact O-CA 3.36Å; R257-Q260 VanDerWaalsContact O-CB 3.22Å; R257-Q260 WeakPolarHBondContact O-CB 3.4Å; R257-Q260 PolarHBondContact O-N 2.8Å; R257-L262 HydrophobicContact CB-CD1 4.11Å; R257-E368 IonicContact NH2-OE1 3.15Å; R257-E368 PolarHBondContact NH2-OE1 2.97Å; R257-E368 IonicContact NH2-OE2 2.65Å; R257-E368 PolarHBondContact NH2-OE2 2.8Å; R257-F374 HydrophobicContact CG-CE2 4.34Å; R257-F374 VanDerWaalsContact CZ-CB 3.5Å; R257-F374 VanDerWaalsContact NH1-CB 3.27Å; R257-I471 HydrophobicContact CB-CG2 3.97Å; R257-I471 HydrophobicContact CG-CG2 4.23Å
258R86.4Confident96Very high141 Ų14118.3 Ų18.353%0.5329%0.089SC..THydrogen-bonded Turntrans46.445.8177.8-57.2179.7-133.8174.15.9112.2Q260 D373R258-Q260 PolarHBondContact O-N 2.67Å; R258-D373 IonicContact CZ-OD1 3.96Å; R258-D373 IonicContact CZ-OD2 2.74Å; R258-D373 IonicContact NH1-OD2 2.63Å; R258-D373 PolarHBondContact NH2-O 2.98Å; R258-D373 IonicContact NH2-OD1 3.9Å; R258-D373 PolarHBondContact NH2-OD1 2.8Å; R258-D373 IonicContact NH2-OD2 3.57Å; R258-D373 PolarHBondContact NH2-OD2 2.84Å
259C86.7Confident95.8Very high70 Ų7018.7 Ų18.747%0.4739%0.091SC..THydrogen-bonded Turntrans65.412.4-175.9-54.10000116.3R257R257-C259 PolarHBondContact O-N 3.04Å; R257-C259 VanDerWaalsContact O-N 3.12Å
260Q91.2Very high95.4Very high40 Ų4023.2 Ų23.219%0.18712%0.116CC..EExtended strand (participates in β ladder)trans-98.3113.5169.2-170.5-175.433.900109.4Q256 R257 R258 Y366 E368Q256-Q260 CarbonylContact C-O 3.49Å; Q256-Q260 WeakPolarHBondContact CA-O 3.5Å; Q256-Q260 VanDerWaalsContact CB-O 3.32Å; Q256-Q260 WeakPolarHBondContact CB-O 3.45Å; R257-Q260 PolarHBondContact N-O 2.98Å; R257-Q260 WeakPolarHBondContact O-CA 3.36Å; R257-Q260 VanDerWaalsContact O-CB 3.22Å; R257-Q260 WeakPolarHBondContact O-CB 3.4Å; R257-Q260 PolarHBondContact O-N 2.8Å; R258-Q260 PolarHBondContact O-N 2.67Å; Q260-Y366 HydrophobicContact CG-CE2 4.14Å; Q260-E368 PolarHBondContact NE2-OE1 3.12Å
261K96.4Very high95.1Very high18 Ų1823.9 Ų23.98%0.07812%0.119CC..EExtended strand (participates in β ladder)trans-64.1134.2177.5-58173.5-179.4179.50110E234 C253 E264 E299 E321 R364E234-K261 IonicContact OE1-NZ 3.59Å; E234-K261 IonicContact OE2-NZ 2.66Å; E234-K261 PolarHBondContact OE2-NZ 2.98Å; C253-K261 HydrophobicContact CB-CD 3.66Å; C253-K261 HydrophobicContact CB-CG 4.03Å; K261-E264 HydrophobicContact CB-CG 4.49Å; K261-E264 VanDerWaalsContact CB-OE1 3.27Å; K261-E264 WeakPolarHBondContact CB-OE1 3.47Å; K261-E299 IonicContact NZ-OE1 2.91Å; K261-E299 PolarHBondContact NZ-OE1 3.27Å; K261-E321 WeakPolarHBondContact CD-OE1 3.36Å; K261-E321 WeakPolarHBondContact CE-OE1 3.43Å; K261-E321 IonicContact NZ-OE1 2.83Å; K261-E321 PolarHBondContact NZ-OE1 3.35Å; K261-R364 WeakPolarHBondContact O-CD 3.5Å
262L97.4Very high94.8Very high0 Ų027.2 Ų27.20%014%0.143CC..EExtended strand (participates in β ladder)trans-119.2-43.4-178.9-66.8-171.9000112.9A255 R257 A363 R364 Y366 F450 L451 I471A255-L262 PolarHBondContact O-N 3.11Å; R257-L262 HydrophobicContact CB-CD1 4.11Å; L262-A363 WeakPolarHBondContact O-CA 3.34Å; L262-R364 PolarHBondContact O-N 2.65Å; L262-Y366 HydrophobicContact CD2-CD2 3.76Å; L262-Y366 HydrophobicContact CD2-CE2 3.69Å; L262-F450 HydrophobicContact CD1-CD1 4.19Å; L262-F450 HydrophobicContact CD1-CE1 3.8Å; L262-L451 HydrophobicContact CB-CD2 4.3Å; L262-I471 HydrophobicContact CD1-CD1 3.79Å; L262-I471 HydrophobicContact CG-CD1 4.45Å
263I98.1Very high94.7Very high4 Ų432.5 Ų32.52%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-125.1133.3171.9-66.2-175.1000109.1A255 F361 E362 A363 L451 L454 L460A255-I263 HydrophobicContact CB-CB 3.85Å; A255-I263 PolarHBondContact O-N 3Å; I263-F361 HydrophobicContact CG2-CD1 3.89Å; I263-E362 VanDerWaalsContact CA-O 3.27Å; I263-E362 WeakPolarHBondContact CA-O 3.22Å; I263-A363 HydrophobicContact CG1-CB 4.37Å; I263-L451 HydrophobicContact CG1-CD2 4.12Å; I263-L454 HydrophobicContact CD1-CB 4.19Å; I263-L454 HydrophobicContact CD1-CD2 3.63Å; I263-L454 HydrophobicContact CD1-CG 3.89Å; I263-L454 HydrophobicContact CG1-CD2 3.97Å; I263-L460 HydrophobicContact CD1-CD2 3.88Å
264E98.6Very high94.6Very high0 Ų036 Ų360%020%0.196CC..EExtended strand (participates in β ladder)trans-124.2147.7175.5-56.789.1167.600109.8D252 C253 K261 E321 F361 E362 R364D252-E264 WeakPolarHBondContact O-CA 3.5Å; C253-E264 HydrophobicContact CB-CG 4.31Å; K261-E264 HydrophobicContact CB-CG 4.49Å; K261-E264 VanDerWaalsContact CB-OE1 3.27Å; K261-E264 WeakPolarHBondContact CB-OE1 3.47Å; E264-E321 HydrophobicContact CB-CB 3.94Å; E264-E321 HydrophobicContact CG-CB 3.6Å; E264-E321 HydrophobicContact CG-CG 4.09Å; E264-F361 CarbonylContact O-C 3.49Å; E264-F361 VanDerWaalsContact O-CA 3.32Å; E264-F361 WeakPolarHBondContact O-CA 3.43Å; E264-E362 PolarHBondContact N-O 2.71Å; E264-E362 PolarHBondContact O-N 3.3Å; E264-R364 IonicContact OE1-CZ 3.52Å; E264-R364 IonicContact OE1-NE 2.93Å; E264-R364 PolarHBondContact OE1-NE 2.89Å; E264-R364 IonicContact OE1-NH2 3.56Å; E264-R364 PolarHBondContact OE1-NH2 2.82Å
265E98.7Very high94.5Very high6 Ų636.4 Ų36.43%0.02820%0.197CC..EExtended strand (participates in β ladder)trans-139.1150.3176.464.1174.4128.300113.1R251 D252 P269 H359 S360 F361 R425R251-E265 CarbonylContact C-O 3.59Å; R251-E265 WeakPolarHBondContact CA-O 3.21Å; D252-E265 HydrophobicContact CB-CG 3.84Å; D252-E265 PolarHBondContact N-O 2.94Å; D252-E265 PolarHBondContact O-N 3.38Å; E265-P269 VanDerWaalsContact CD-CD 3.49Å; E265-P269 WeakPolarHBondContact OE1-CG 2.87Å; E265-H359 IonicContact OE2-CD2 2.72Å; E265-H359 IonicContact OE2-CE1 3.79Å; E265-H359 PolarHBondContact OE2-CE1 2.67Å; E265-H359 IonicContact OE2-NE2 2.76Å; E265-H359 PolarHBondContact OE2-NE2 3.17Å; E265-S360 CarbonylContact C-O 3.59Å; E265-S360 WeakPolarHBondContact CA-O 3.32Å; E265-S360 WeakPolarHBondContact CB-O 3.36Å; E265-F361 HydrophobicContact CB-CD1 3.59Å; E265-F361 HydrophobicContact CB-CE1 3.6Å; E265-F361 HydrophobicContact CB-CG 4.14Å; E265-F361 HydrophobicContact CB-CZ 4.15Å; E265-F361 HydrophobicContact CG-CD1 4.48Å; E265-F361 HydrophobicContact CG-CE1 4.06Å; E265-F361 VanDerWaalsContact OE2-CZ 3.31Å; E265-F361 WeakPolarHBondContact OE2-CZ 3.22Å; E265-R425 IonicContact OE1-CZ 2.74Å; E265-R425 IonicContact OE1-NE 3.41Å; E265-R425 IonicContact OE1-NH2 3.73Å; E265-R425 PolarHBondContact OE1-NH2 3.37Å; E265-R425 IonicContact OE2-CZ 2.81Å; E265-R425 IonicContact OE2-NE 3.74Å; E265-R425 PolarHBondContact OE2-NE 3.11Å; E265-R425 IonicContact OE2-NH2 3.44Å; E265-R425 PolarHBondContact OE2-NH2 3.01Å
266A98.6Very high94.5Very high0 Ų037.6 Ų37.60%020%0.201CC..EExtended strand (participates in β ladder)trans-141.8138.7176.900000110.7R251 V324 I328 H359 S360R251-A266 HydrophobicContact CG-CB 4.09Å; A266-V324 HydrophobicContact CB-CB 3.8Å; A266-V324 HydrophobicContact CB-CG2 3.76Å; A266-I328 HydrophobicContact CB-CD1 3.71Å; A266-I328 HydrophobicContact CB-CG1 4.37Å; A266-I328 VanDerWaalsContact O-CG2 3.3Å; A266-I328 WeakPolarHBondContact O-CG2 3.11Å; A266-H359 CarbonylContact O-C 3.51Å; A266-S360 PolarHBondContact N-O 3.37Å; A266-S360 PolarHBondContact O-N 2.79Å
267P98.1Very high94.6Very high24 Ų2442.5 Ų42.516%0.15622%0.224CC..SBendcis-64.1166.4-11.829.8-36.3000112.1E250 H359E250-P267 WeakPolarHBondContact OE1-CB 3.36Å; P267-H359 PolarHBondContact O-CE1 2.69Å
268A96.7Very high94.9Very high3 Ų346.3 Ų46.33%0.02524%0.238CC..PPolyproline II helixtrans-67.4133.8176.300000110.7V233 E250 D252 I271V233-A268 HydrophobicContact CG1-CB 3.85Å; V233-A268 HydrophobicContact CG2-CB 4.26Å; E250-A268 HydrophobicContact CG-CB 3.45Å; E250-A268 VanDerWaalsContact CG-CB 3.45Å; E250-A268 PolarHBondContact OE1-N 2.85Å; D252-A268 HydrophobicContact CB-CB 3.86Å; A268-I271 HydrophobicContact CB-CG1 3.79Å
269P94.7Very high95.4Very high7 Ų739.6 Ų39.65%0.04521%0.213CC..THydrogen-bonded Turntrans-67.6155.1-177.127-34.7000111.6R231 E265 I271 E463R231-P269 VanDerWaalsContact CZ-O 3.24Å; R231-P269 PolarHBondContact NH1-O 2.93Å; R231-P269 PolarHBondContact NH2-O 2.77Å; E265-P269 VanDerWaalsContact CD-CD 3.49Å; E265-P269 WeakPolarHBondContact OE1-CG 2.87Å; P269-I271 PolarHBondContact O-N 3.14Å; P269-E463 HydrophobicContact CB-CB 4.01Å; P269-E463 HydrophobicContact CB-CG 4.02Å
270L90.9Very high95.9Very high125 Ų12536.3 Ų36.365%0.65419%0.19SC*.THydrogen-bonded Turntrans55.621.9176.9-152.274.7000115.6
271I91.3Very high96.3Very high14 Ų1441.8 Ų41.87%0.07221%0.214CC..  trans-95.1112.6173.2-59.4-55.9000109.9A268 P269 M275 R276 I302A268-I271 HydrophobicContact CB-CG1 3.79Å; P269-I271 PolarHBondContact O-N 3.14Å; I271-M275 HydrophobicContact CG2-CB 4Å; I271-M275 HydrophobicContact CG2-CG 4Å; I271-R276 HydrophobicContact CG2-CB 4Å; I271-R276 PolarHBondContact O-NH1 2.65Å; I271-R276 PolarHBondContact O-NH2 3.41Å; I271-R276 VanDerWaalsContact O-NH2 3.17Å; I271-I302 HydrophobicContact CD1-CD1 3.46Å; I271-I302 VanDerWaalsContact CD1-CD1 3.46Å
272S93Very high96.4Very high70 Ų7041.4 Ų41.449%0.4921%0.214SC..  trans-62.8153.8175.374.30000111.8S274 M275 R276S272-S274 PolarHBondContact O-N 2.86Å; S272-M275 PolarHBondContact O-N 2.62Å; S272-M275 VanDerWaalsContact O-N 3.12Å; S272-M275 WeakPolarHBondContact OG-CB 3.24Å; S272-M275 PolarHBondContact OG-N 3.47Å; S272-R276 WeakPolarHBondContact O-CB 3.41Å; S272-R276 PolarHBondContact O-N 2.66Å
273N94Very high96.4Very high117 Ų11741.4 Ų41.463%0.62621%0.214SC*.Hα-helixtrans-58.6-34.9177.2-73-23.3000112.9R276 Q277N273-R276 PolarHBondContact OD1-NH1 2.74Å; N273-Q277 WeakPolarHBondContact O-CB 3.41Å; N273-Q277 VanDerWaalsContact O-CG 3.23Å; N273-Q277 WeakPolarHBondContact O-CG 3.38Å; N273-Q277 PolarHBondContact O-N 2.69Å
274S95.6Very high96.4Very high74 Ų7443.1 Ų43.152%0.51722%0.222SC..Hα-helixtrans-65-46.4175.3177.80000111.7S272 Q277 R278S272-S274 PolarHBondContact O-N 2.86Å; S274-Q277 PolarHBondContact O-N 2.69Å; S274-R278 WeakPolarHBondContact O-CG 3.35Å; S274-R278 PolarHBondContact O-N 2.87Å
275M95.4Very high96.4Very high8 Ų844.6 Ų44.64%0.03924%0.235CC..Hα-helixtrans-61.1-46.6175.8-174.465.3149.900111.1I271 S272 Q277 R278 M279 I302 F309I271-M275 HydrophobicContact CG2-CB 4Å; I271-M275 HydrophobicContact CG2-CG 4Å; S272-M275 PolarHBondContact O-N 2.62Å; S272-M275 VanDerWaalsContact O-N 3.12Å; S272-M275 WeakPolarHBondContact OG-CB 3.24Å; S272-M275 PolarHBondContact OG-N 3.47Å; M275-Q277 VanDerWaalsContact C-N 3.33Å; M275-Q277 PolarHBondContact O-N 3.43Å; M275-R278 WeakPolarHBondContact O-CB 3.27Å; M275-R278 PolarHBondContact O-N 3.33Å; M275-R278 VanDerWaalsContact O-N 3.12Å; M275-M279 HydrophobicContact CG-CG 4.47Å; M275-M279 HydrophobicContact CG-SD 4.07Å; M275-M279 WeakPolarHBondContact O-CG 3.37Å; M275-M279 PolarHBondContact O-N 2.78Å; M275-I302 HydrophobicContact CE-CD1 4.37Å; M275-I302 HydrophobicContact CE-CG2 4.1Å; M275-F309 HydrophobicContact CE-CB 3.92Å; M275-F309 HydrophobicContact CE-CD1 3.66Å; M275-F309 HydrophobicContact CE-CG 4.26Å; M275-F309 HydrophobicContact SD-CD1 3.58Å; M275-F309 VanDerWaalsContact SD-CD1 3.58Å; M275-F309 HydrophobicContact SD-CE1 4.08Å
276R96.3Very high96.3Very high31 Ų3144.3 Ų44.312%0.11723%0.234CC..Hα-helixtrans-56.9-44.4176.2-175172.7-69.3100.36.7112.3M235 E250 I271 S272 N273 M279 G280M235-R276 HydrophobicContact CE-CG 4.08Å; M235-R276 WeakPolarHBondContact CE-O 3.44Å; E250-R276 VanDerWaalsContact CD-NE 3.29Å; E250-R276 IonicContact OE1-CZ 3.87Å; E250-R276 IonicContact OE1-NE 2.65Å; E250-R276 PolarHBondContact OE1-NE 3.5Å; E250-R276 IonicContact OE1-NH2 2.77Å; E250-R276 PolarHBondContact OE1-NH2 3.09Å; E250-R276 WeakPolarHBondContact OE2-CD 3.07Å; E250-R276 WeakPolarHBondContact OE2-CG 3.41Å; E250-R276 IonicContact OE2-CZ 2.78Å; E250-R276 IonicContact OE2-NE 3.15Å; E250-R276 PolarHBondContact OE2-NE 2.87Å; I271-R276 HydrophobicContact CG2-CB 4Å; I271-R276 PolarHBondContact O-NH1 2.65Å; I271-R276 PolarHBondContact O-NH2 3.41Å; I271-R276 VanDerWaalsContact O-NH2 3.17Å; S272-R276 WeakPolarHBondContact O-CB 3.41Å; S272-R276 PolarHBondContact O-N 2.66Å; N273-R276 PolarHBondContact OD1-NH1 2.74Å; R276-M279 PolarHBondContact O-N 3.38Å; R276-G280 PolarHBondContact O-N 3.15Å
277Q96.4Very high96.3Very high122 Ų12244.3 Ų44.357%0.5723%0.234SC*.Hα-helixtrans-65.1-40.2176.1-74.9173.32.900112.3N273 S274 M275 G280 K281N273-Q277 WeakPolarHBondContact O-CB 3.41Å; N273-Q277 VanDerWaalsContact O-CG 3.23Å; N273-Q277 WeakPolarHBondContact O-CG 3.38Å; N273-Q277 PolarHBondContact O-N 2.69Å; S274-Q277 PolarHBondContact O-N 2.69Å; M275-Q277 VanDerWaalsContact C-N 3.33Å; M275-Q277 PolarHBondContact O-N 3.43Å; Q277-G280 PolarHBondContact O-N 2.99Å; Q277-K281 WeakPolarHBondContact O-CB 3.34Å; Q277-K281 VanDerWaalsContact O-CG 3.29Å; Q277-K281 WeakPolarHBondContact O-CG 3.22Å; Q277-K281 PolarHBondContact O-N 2.76Å
278R97.5Very high96.3Very high99 Ų9945.9 Ų45.937%0.37425%0.245SC..Hα-helixtrans-63.6-47.9175.7-73.3171.157.7-158.4-3.3111.4S274 M275 G280 K281 A282 K307 Q308 F309S274-R278 WeakPolarHBondContact O-CG 3.35Å; S274-R278 PolarHBondContact O-N 2.87Å; M275-R278 WeakPolarHBondContact O-CB 3.27Å; M275-R278 PolarHBondContact O-N 3.33Å; M275-R278 VanDerWaalsContact O-N 3.12Å; R278-G280 VanDerWaalsContact C-N 3.35Å; R278-K281 PolarHBondContact O-N 2.72Å; R278-A282 WeakPolarHBondContact O-CB 3.43Å; R278-A282 PolarHBondContact O-N 3.35Å; R278-K307 PolarHBondContact NH1-O 2.63Å; R278-Q308 VanDerWaalsContact NH2-OE1 3.1Å; R278-F309 HydrophobicContact CB-CE1 3.76Å; R278-F309 HydrophobicContact CB-CZ 4.06Å
279M98Very high96.3Very high0 Ų048 Ų480%026%0.259CS..Hα-helixtrans-63.1-42.2177.2-69178.769.800111.3V233 M235 M275 R276 A282 A283 F300 I302 F309V233-M279 HydrophobicContact CB-CE 4.15Å; V233-M279 HydrophobicContact CG1-CE 3.66Å; M235-M279 HydrophobicContact CE-CB 3.87Å; M235-M279 HydrophobicContact CG-CB 4.4Å; M275-M279 HydrophobicContact CG-CG 4.47Å; M275-M279 HydrophobicContact CG-SD 4.07Å; M275-M279 WeakPolarHBondContact O-CG 3.37Å; M275-M279 PolarHBondContact O-N 2.78Å; R276-M279 PolarHBondContact O-N 3.38Å; M279-A282 PolarHBondContact O-N 2.78Å; M279-A283 WeakPolarHBondContact O-CB 3.3Å; M279-A283 PolarHBondContact O-N 3.34Å; M279-F300 HydrophobicContact CE-CB 4.1Å; M279-F300 HydrophobicContact CE-CD2 3.63Å; M279-F300 HydrophobicContact CE-CE2 4.37Å; M279-F300 HydrophobicContact CE-CG 4.1Å; M279-I302 HydrophobicContact CE-CD1 4.09Å; M279-I302 HydrophobicContact SD-CD1 3.92Å; M279-F309 HydrophobicContact CG-CB 4.41Å; M279-F309 HydrophobicContact CG-CD1 3.68Å; M279-F309 HydrophobicContact CG-CD2 3.94Å; M279-F309 HydrophobicContact CG-CE1 3.79Å; M279-F309 HydrophobicContact CG-CE2 4.05Å; M279-F309 HydrophobicContact CG-CG 3.75Å; M279-F309 HydrophobicContact CG-CZ 3.97Å; M279-F309 HydrophobicContact SD-CG 4.48Å
280G97.8Very high96.4Very high0 Ų048.1 Ų48.10%026%0.26CS..Hα-helixtrans-60.8-49.8177.400000111.1R276 Q277 R278 A282 A283 I284R276-G280 PolarHBondContact O-N 3.15Å; Q277-G280 PolarHBondContact O-N 2.99Å; R278-G280 VanDerWaalsContact C-N 3.35Å; G280-A282 VanDerWaalsContact C-N 3.32Å; G280-A282 PolarHBondContact O-N 3.06Å; G280-A283 PolarHBondContact O-N 2.79Å; G280-I284 WeakPolarHBondContact O-CG1 3.3Å; G280-I284 PolarHBondContact O-N 2.7Å
281K98Very high96.7Very high156 Ų15648 Ų4868%0.67826%0.26SS*.Hα-helixtrans-58.3-43175-73.9177.7-176.5-176.40112.4Q277 R278 I284 A285Q277-K281 WeakPolarHBondContact O-CB 3.34Å; Q277-K281 VanDerWaalsContact O-CG 3.29Å; Q277-K281 WeakPolarHBondContact O-CG 3.22Å; Q277-K281 PolarHBondContact O-N 2.76Å; R278-K281 PolarHBondContact O-N 2.72Å; K281-I284 PolarHBondContact O-N 3.41Å; K281-A285 WeakPolarHBondContact O-CB 3.43Å; K281-A285 PolarHBondContact O-N 2.66Å
282A98.4Very high97Very high9 Ų947.3 Ų47.37%0.07426%0.257CS..Hα-helixtrans-63.5-41.417700000111.8V152 R278 M279 G280 A285 A286 F300 F309V152-A282 HydrophobicContact CG1-CB 4.32Å; V152-A282 HydrophobicContact CG2-CB 4.49Å; V152-A282 WeakPolarHBondContact CG2-O 3.32Å; R278-A282 WeakPolarHBondContact O-CB 3.43Å; R278-A282 PolarHBondContact O-N 3.35Å; M279-A282 PolarHBondContact O-N 2.78Å; G280-A282 VanDerWaalsContact C-N 3.32Å; G280-A282 PolarHBondContact O-N 3.06Å; A282-A285 PolarHBondContact O-N 2.84Å; A282-A286 WeakPolarHBondContact O-CB 3.42Å; A282-A286 PolarHBondContact O-N 2.84Å; A282-F300 HydrophobicContact CB-CE1 4.41Å; A282-F300 HydrophobicContact CB-CZ 4.06Å; A282-F309 HydrophobicContact CB-CE2 3.83Å; A282-F309 HydrophobicContact CB-CZ 4.11Å
283A98.4Very high97.2Very high0 Ų044.5 Ų44.50%024%0.237CC..Hα-helixtrans-66.6-38.6177.300000112.5M235 I237 M279 G280 A286 A287 V298 F300M235-A283 HydrophobicContact CB-CB 3.66Å; M235-A283 HydrophobicContact CG-CB 4.12Å; I237-A283 HydrophobicContact CG2-CB 3.71Å; M279-A283 WeakPolarHBondContact O-CB 3.3Å; M279-A283 PolarHBondContact O-N 3.34Å; G280-A283 PolarHBondContact O-N 2.79Å; A283-A286 WeakPolarHBondContact O-CB 3.41Å; A283-A286 PolarHBondContact O-N 3.07Å; A283-A287 PolarHBondContact O-N 3Å; A283-V298 HydrophobicContact CB-CB 4.07Å; A283-V298 HydrophobicContact CB-CG2 3.99Å; A283-F300 HydrophobicContact CB-CE2 4.33Å; A283-F300 HydrophobicContact CB-CZ 4.46Å
284I98.3Very high97.3Very high40 Ų4039.1 Ų39.121%0.20521%0.21CC..Hα-helixtrans-66.1-42.6172.9-63.5-54.4000111.4H247 G280 K281 A286 A287 S288H247-I284 HydrophobicContact CB-CD1 4.29Å; G280-I284 WeakPolarHBondContact O-CG1 3.3Å; G280-I284 PolarHBondContact O-N 2.7Å; K281-I284 PolarHBondContact O-N 3.41Å; I284-A286 VanDerWaalsContact C-N 3.32Å; I284-A286 PolarHBondContact O-N 3.42Å; I284-A287 PolarHBondContact O-N 3.4Å; I284-S288 WeakPolarHBondContact O-CB 3.5Å; I284-S288 PolarHBondContact O-N 3.02Å
285A98.3Very high97.4Very high32 Ų3235.6 Ų35.626%0.26419%0.185SC..Hα-helixtrans-61-42.3175.400000111.4V152 K281 A282 S288 S289V152-A285 HydrophobicContact CG2-CB 4.22Å; K281-A285 WeakPolarHBondContact O-CB 3.43Å; K281-A285 PolarHBondContact O-N 2.66Å; A282-A285 PolarHBondContact O-N 2.84Å; A285-S288 PolarHBondContact O-N 3.2Å; A285-S289 WeakPolarHBondContact O-CB 3.4Å; A285-S289 PolarHBondContact O-N 3.48Å
286A97.6Very high97.6Very high0 Ų035.2 Ų35.20%018%0.183CC..Hα-helixtrans-57.7-50.9173.100000111.5M147 V152 A282 A283 I284 S288 S289 V298M147-A286 HydrophobicContact CE-CB 4.01Å; M147-A286 HydrophobicContact SD-CB 3.36Å; M147-A286 WeakPolarHBondContact SD-CB 3.4Å; V152-A286 HydrophobicContact CG2-CB 4.25Å; A282-A286 WeakPolarHBondContact O-CB 3.42Å; A282-A286 PolarHBondContact O-N 2.84Å; A283-A286 WeakPolarHBondContact O-CB 3.41Å; A283-A286 PolarHBondContact O-N 3.07Å; I284-A286 VanDerWaalsContact C-N 3.32Å; I284-A286 PolarHBondContact O-N 3.42Å; A286-S288 PolarHBondContact O-N 3.42Å; A286-S289 PolarHBondContact O-N 2.95Å; A286-S289 PolarHBondContact O-OG 3.03Å; A286-V298 HydrophobicContact CB-CG1 4.36Å; A286-V298 HydrophobicContact CB-CG2 4.06Å
287A97.7Very high97.7Very high0 Ų033.7 Ų33.70%018%0.178CC..Hα-helixtrans-59.3-46.1178.100000112.5I237 Y245 A283 I284 S289 V290 N291 Y292 M314I237-A287 HydrophobicContact CD1-CB 3.64Å; Y245-A287 HydrophobicContact CD1-CB 3.75Å; Y245-A287 HydrophobicContact CE1-CB 4.2Å; Y245-A287 HydrophobicContact CG-CB 4.42Å; A283-A287 PolarHBondContact O-N 3Å; I284-A287 PolarHBondContact O-N 3.4Å; A287-S289 VanDerWaalsContact C-N 3.32Å; A287-S289 PolarHBondContact O-N 3.15Å; A287-V290 PolarHBondContact O-N 2.96Å; A287-N291 PolarHBondContact O-N 3.02Å; A287-Y292 WeakPolarHBondContact O-CB 3.33Å; A287-Y292 PolarHBondContact O-N 3.27Å; A287-M314 HydrophobicContact CB-CE 4.48Å
288S97.8Very high97.8Very high57 Ų5727.9 Ų27.940%0.39915%0.15SC..Hα-helixtrans-65.6-33.5-179.7-175.10000112.8I284 A285 A286 V290 N291I284-S288 WeakPolarHBondContact O-CB 3.5Å; I284-S288 PolarHBondContact O-N 3.02Å; A285-S288 PolarHBondContact O-N 3.2Å; A286-S288 PolarHBondContact O-N 3.42Å; S288-V290 PolarHBondContact O-N 3.44Å; S288-N291 PolarHBondContact O-N 2.98Å
289S97.3Very high97.8Very high46 Ų4623.5 Ų23.532%0.32213%0.134SC..Hα-helixtrans-65.3-21.5-177.8720000113.6I146 M147 A285 A286 A287I146-S289 WeakPolarHBondContact CG2-OG 3.38Å; M147-S289 WeakPolarHBondContact CE-OG 3.34Å; A285-S289 WeakPolarHBondContact O-CB 3.4Å; A285-S289 PolarHBondContact O-N 3.48Å; A286-S289 PolarHBondContact O-N 2.95Å; A286-S289 PolarHBondContact O-OG 3.03Å; A287-S289 VanDerWaalsContact C-N 3.32Å; A287-S289 PolarHBondContact O-N 3.15Å
290V96.7Very high97.7Very high11 Ų1123.5 Ų23.57%0.06713%0.134CC..THydrogen-bonded Turntrans-117.811.7-179.3-60.50000113.5A133 A136 M137 I146 A287 S288 Y292 M314A133-V290 HydrophobicContact CB-CB 4.29Å; A133-V290 HydrophobicContact CB-CG2 4.23Å; A136-V290 HydrophobicContact CB-CB 4.44Å; A136-V290 HydrophobicContact CB-CG1 3.81Å; M137-V290 HydrophobicContact CG-CG1 4.3Å; M137-V290 HydrophobicContact SD-CG1 3.83Å; I146-V290 HydrophobicContact CD1-CG1 4.41Å; I146-V290 HydrophobicContact CG2-CG1 4Å; A287-V290 PolarHBondContact O-N 2.96Å; S288-V290 PolarHBondContact O-N 3.44Å; V290-Y292 VanDerWaalsContact C-N 3.3Å; V290-Y292 HydrophobicContact CG2-CD2 4.08Å; V290-Y292 PolarHBondContact O-N 3.19Å; V290-M314 HydrophobicContact CG2-CE 4.39Å; V290-M314 HydrophobicContact CG2-SD 4.41Å
291N96.7Very high97.6Very high122 Ų12224.5 Ų24.565%0.65214%0.139SC*.THydrogen-bonded Turntrans50.150.1-175-58.6-55.5000112.2Y245 A287 S288Y245-N291 WeakPolarHBondContact OH-CA 3.44Å; A287-N291 PolarHBondContact O-N 3.02Å; S288-N291 PolarHBondContact O-N 2.98Å
292Y97.8Very high97.5Very high0 Ų017 Ų170%011%0.107CC..  trans-68.6138.6-172.5-160.2-90.9000112.2P129 A133 I237 G239 Y245 A287 V290 A295 G296 M314 T316 R317P129-Y292 HydrophobicContact CB-CD2 3.94Å; P129-Y292 HydrophobicContact CB-CE1 4.21Å; P129-Y292 HydrophobicContact CB-CE2 3.5Å; P129-Y292 VanDerWaalsContact CB-CE2 3.5Å; P129-Y292 HydrophobicContact CB-CG 4.48Å; P129-Y292 HydrophobicContact CG-CE2 3.73Å; P129-Y292 WeakPolarHBondContact CG-OH 3.39Å; A133-Y292 HydrophobicContact CB-CD2 4.19Å; I237-Y292 HydrophobicContact CD1-CD1 4.23Å; I237-Y292 HydrophobicContact CD1-CE1 4.5Å; G239-Y292 WeakPolarHBondContact CA-O 3.36Å; Y245-Y292 VanDerWaalsContact CE1-O 3.31Å; Y245-Y292 WeakPolarHBondContact CE1-O 3.43Å; A287-Y292 WeakPolarHBondContact O-CB 3.33Å; A287-Y292 PolarHBondContact O-N 3.27Å; V290-Y292 VanDerWaalsContact C-N 3.3Å; V290-Y292 HydrophobicContact CG2-CD2 4.08Å; V290-Y292 PolarHBondContact O-N 3.19Å; Y292-A295 WeakPolarHBondContact CE1-O 3.47Å; Y292-A295 PolarHBondContact OH-O 3Å; Y292-G296 VanDerWaalsContact OH-CA 3.27Å; Y292-G296 WeakPolarHBondContact OH-CA 3.49Å; Y292-M314 HydrophobicContact CD1-CE 4.16Å; Y292-M314 HydrophobicContact CD2-CE 3.23Å; Y292-M314 HydrophobicContact CD2-SD 4.33Å; Y292-M314 HydrophobicContact CE1-CE 4.46Å; Y292-M314 HydrophobicContact CE2-CE 3.59Å; Y292-M314 HydrophobicContact CG-CE 3.55Å; Y292-T316 HydrophobicContact CE2-CG2 3.86Å; Y292-T316 WeakPolarHBondContact OH-CA 3.47Å; Y292-R317 PolarHBondContact OH-N 3.41Å
293A96.6Very high97.1Very high10 Ų1018.1 Ų18.18%0.08311%0.111CC..  trans-130.9146.217600000111.2G128 P129 G239G128-A293 CarbonylContact C-O 3.53Å; P129-A293 WeakPolarHBondContact CA-O 3.42Å; G239-A293 CarbonylContact O-C 3.48Å; G239-A293 WeakPolarHBondContact O-CA 3.23Å
294G97.3Very high96.5Very high4 Ų425.8 Ų25.84%0.04115%0.145CC..EExtended strand (participates in β ladder)trans80.5-160.2-174.300000113F238 G239F238-G294 WeakPolarHBondContact CA-O 3.41Å; G239-G294 PolarHBondContact N-O 2.87Å; G239-G294 PolarHBondContact O-N 3.04Å
295A98.2Very high95.8Very high0 Ų028.9 Ų28.90%016%0.162CC..EExtended strand (participates in β ladder)trans-79.3136.4179.100000111.2F238 Y292 R317 L318 Q337F238-A295 HydrophobicContact CD2-CB 4.26Å; F238-A295 HydrophobicContact CE1-CB 4.23Å; F238-A295 HydrophobicContact CE2-CB 3.53Å; F238-A295 HydrophobicContact CZ-CB 3.54Å; Y292-A295 WeakPolarHBondContact CE1-O 3.47Å; Y292-A295 PolarHBondContact OH-O 3Å; A295-R317 CarbonylContact O-C 2.84Å; A295-L318 HydrophobicContact CB-CD1 3.99Å; A295-Q337 HydrophobicContact CB-CG 3.72Å
296G98Very high95.1Very high0 Ų029 Ų290%017%0.165CC..EExtended strand (participates in β ladder)trans-146.2168.5171.500000111Q236 I237 Y292Q236-G296 PolarHBondContact NE2-O 3.11Å; I237-G296 WeakPolarHBondContact CG1-O 3.46Å; I237-G296 PolarHBondContact N-O 2.85Å; I237-G296 PolarHBondContact O-N 3.2Å; I237-G296 VanDerWaalsContact O-N 3.07Å; Y292-G296 VanDerWaalsContact OH-CA 3.27Å; Y292-G296 WeakPolarHBondContact OH-CA 3.49Å
297T98.5Very high94.6Very high0 Ų034.9 Ų34.90%019%0.191CC..EExtended strand (participates in β ladder)trans-136.3128.2175.3-65.80000110E234 M235 Q236 R251 E299 M314 N315 Q319E234-T297 HydrophobicContact CB-CG2 3.59Å; E234-T297 HydrophobicContact CG-CG2 3.88Å; M235-T297 WeakPolarHBondContact O-CA 3.18Å; Q236-T297 PolarHBondContact OE1-OG1 2.92Å; R251-T297 PolarHBondContact NH2-OG1 3.4Å; T297-E299 HydrophobicContact CG2-CG 4.18Å; T297-M314 CarbonylContact O-C 3.45Å; T297-M314 VanDerWaalsContact O-CA 3.31Å; T297-M314 WeakPolarHBondContact O-CA 3.2Å; T297-N315 PolarHBondContact N-O 2.84Å; T297-N315 VanDerWaalsContact N-O 3.15Å; T297-N315 PolarHBondContact O-N 2.87Å; T297-Q319 HydrophobicContact CG2-CG 3.93Å; T297-Q319 VanDerWaalsContact OG1-CG 3.26Å; T297-Q319 WeakPolarHBondContact OG1-CG 3.34Å
298V98.2Very high94.3Very high0 Ų038.7 Ų38.70%021%0.209CC..EExtended strand (participates in β ladder)trans-99113174.7-174.30000107.6E234 M235 I237 A283 A286 F300 F311 M314E234-V298 CarbonylContact C-O 3.56Å; E234-V298 WeakPolarHBondContact CA-O 3.49Å; M235-V298 PolarHBondContact N-O 3.17Å; M235-V298 PolarHBondContact O-N 2.86Å; I237-V298 HydrophobicContact CD1-CG2 3.91Å; I237-V298 HydrophobicContact CG1-CG2 4.38Å; I237-V298 HydrophobicContact CG2-CG2 4.31Å; A283-V298 HydrophobicContact CB-CB 4.07Å; A283-V298 HydrophobicContact CB-CG2 3.99Å; A286-V298 HydrophobicContact CB-CG1 4.36Å; A286-V298 HydrophobicContact CB-CG2 4.06Å; V298-F300 HydrophobicContact CB-CE2 4.13Å; V298-F300 HydrophobicContact CB-CZ 4.31Å; V298-F300 HydrophobicContact CG1-CD2 4.44Å; V298-F300 HydrophobicContact CG1-CE1 4.01Å; V298-F300 HydrophobicContact CG1-CE2 3.7Å; V298-F300 HydrophobicContact CG1-CZ 3.45Å; V298-F300 VanDerWaalsContact CG1-CZ 3.45Å; V298-F311 HydrophobicContact CG1-CD2 3.77Å; V298-F311 HydrophobicContact CG1-CE2 3.95Å; V298-M314 HydrophobicContact CG2-CG 4.24Å
299E97.4Very high94.3Very high7 Ų736.1 Ų36.13%0.03319%0.191CC..EExtended strand (participates in β ladder)trans-90.5131.5-177.5-61.7-165.3172.700110.5H232 E234 K261 T297 M312 E313 N315 Q319H232-E299 IonicContact CE1-OE2 2.8Å; H232-E299 PolarHBondContact CE1-OE2 2.97Å; H232-E299 VanDerWaalsContact CE1-OE2 3.23Å; H232-E299 VanDerWaalsContact NE2-CD 3.32Å; H232-E299 IonicContact NE2-OE1 2.82Å; H232-E299 IonicContact NE2-OE2 2.86Å; H232-E299 PolarHBondContact NE2-OE2 3.33Å; E234-E299 HydrophobicContact CB-CB 4.41Å; E234-E299 HydrophobicContact CB-CG 3.99Å; K261-E299 IonicContact NZ-OE1 2.91Å; K261-E299 PolarHBondContact NZ-OE1 3.27Å; T297-E299 HydrophobicContact CG2-CG 4.18Å; E299-M312 HydrophobicContact CB-CB 4.45Å; E299-M312 HydrophobicContact CB-CE 3.92Å; E299-M312 PolarHBondContact O-N 3.38Å; E299-M312 WeakPolarHBondContact OE2-CE 3.26Å; E299-E313 HydrophobicContact CB-CG 4.35Å; E299-E313 PolarHBondContact N-O 2.84Å; E299-N315 PolarHBondContact OE1-ND2 2.72Å; E299-Q319 PolarHBondContact OE1-NE2 3.11Å
300F97.2Very high94.2Very high0 Ų036.6 Ų36.60%019%0.186CC..EExtended strand (participates in β ladder)trans-121.9151177.5-59.4-78.2000111.4V152 V233 M235 M279 A282 A283 V298 F309 Y310 F311V152-F300 HydrophobicContact CG1-CE1 4.09Å; V233-F300 PolarHBondContact N-O 3.45Å; V233-F300 CarbonylContact O-C 3.6Å; V233-F300 VanDerWaalsContact O-CA 3.3Å; V233-F300 WeakPolarHBondContact O-CA 3.27Å; V233-F300 VanDerWaalsContact O-CB 3.29Å; V233-F300 WeakPolarHBondContact O-CB 3.39Å; V233-F300 PolarHBondContact O-N 3.22Å; M235-F300 HydrophobicContact CB-CE2 4.3Å; M235-F300 HydrophobicContact CG-CE2 4.24Å; M279-F300 HydrophobicContact CE-CB 4.1Å; M279-F300 HydrophobicContact CE-CD2 3.63Å; M279-F300 HydrophobicContact CE-CE2 4.37Å; M279-F300 HydrophobicContact CE-CG 4.1Å; A282-F300 HydrophobicContact CB-CE1 4.41Å; A282-F300 HydrophobicContact CB-CZ 4.06Å; A283-F300 HydrophobicContact CB-CE2 4.33Å; A283-F300 HydrophobicContact CB-CZ 4.46Å; V298-F300 HydrophobicContact CB-CE2 4.13Å; V298-F300 HydrophobicContact CB-CZ 4.31Å; V298-F300 HydrophobicContact CG1-CD2 4.44Å; V298-F300 HydrophobicContact CG1-CE1 4.01Å; V298-F300 HydrophobicContact CG1-CE2 3.7Å; V298-F300 HydrophobicContact CG1-CZ 3.45Å; V298-F300 VanDerWaalsContact CG1-CZ 3.45Å; F300-F309 HydrophobicContact CB-CB 4.46Å; F300-F309 AromaticContact CD1-CD2 3.56Å; F300-F309 HydrophobicContact CD1-CD2 3.56Å; F300-F309 HydrophobicContact CD1-CE2 4.14Å; F300-F309 AromaticContact CE1-CD2 3.79Å; F300-F309 HydrophobicContact CE1-CD2 3.79Å; F300-F309 AromaticContact CE1-CE2 3.87Å; F300-F309 HydrophobicContact CE1-CE2 3.87Å; F300-F309 HydrophobicContact CG-CD2 4.07Å; F300-F309 HydrophobicContact CZ-CD2 4.45Å; F300-F309 HydrophobicContact CZ-CE2 4.31Å; F300-Y310 CarbonylContact C-O 3.49Å; F300-Y310 WeakPolarHBondContact CA-O 3.03Å; F300-F311 HydrophobicContact CD1-CB 4.3Å; F300-F311 HydrophobicContact CE1-CB 4.21Å
301L95.4Very high94.2Very high20 Ų2036.2 Ų36.211%0.10518%0.183CC..EExtended strand (participates in β ladder)trans-101125.8162.9-64.4174.2000108.6P230 R231 F309 Y310 M312P230-L301 HydrophobicContact CB-CB 4.32Å; P230-L301 HydrophobicContact CB-CD2 4.1Å; P230-L301 HydrophobicContact CG-CD2 4.27Å; R231-L301 WeakPolarHBondContact O-CA 3.35Å; L301-F309 CarbonylContact O-C 3.5Å; L301-F309 VanDerWaalsContact O-CA 3.23Å; L301-F309 WeakPolarHBondContact O-CA 3.42Å; L301-Y310 PolarHBondContact N-O 3.45Å; L301-Y310 PolarHBondContact O-N 3.42Å; L301-M312 HydrophobicContact CD1-SD 4.25Å; L301-M312 HydrophobicContact CD2-SD 3.99Å; L301-M312 HydrophobicContact CG-CB 4.39Å; L301-M312 HydrophobicContact CG-SD 4.07Å
302I95.1Very high94Very high0 Ų032.6 Ų32.60%016%0.163CC..EExtended strand (participates in β ladder)trans-100134171.9-56.2-174.1000108.4P230 R231 V233 I271 M275 M279 Q308 F309P230-I302 VanDerWaalsContact CA-O 3.3Å; P230-I302 WeakPolarHBondContact CA-O 3.28Å; R231-I302 HydrophobicContact CB-CB 4.22Å; R231-I302 PolarHBondContact N-O 2.62Å; R231-I302 PolarHBondContact O-N 2.9Å; V233-I302 HydrophobicContact CB-CD1 3.69Å; V233-I302 HydrophobicContact CB-CG1 4.09Å; V233-I302 HydrophobicContact CG1-CD1 4.11Å; V233-I302 HydrophobicContact CG2-CD1 3.54Å; V233-I302 HydrophobicContact CG2-CG1 4.08Å; I271-I302 HydrophobicContact CD1-CD1 3.46Å; I271-I302 VanDerWaalsContact CD1-CD1 3.46Å; M275-I302 HydrophobicContact CE-CD1 4.37Å; M275-I302 HydrophobicContact CE-CG2 4.1Å; M279-I302 HydrophobicContact CE-CD1 4.09Å; M279-I302 HydrophobicContact SD-CD1 3.92Å; I302-Q308 WeakPolarHBondContact CA-O 3.48Å; I302-F309 HydrophobicContact CG1-CB 4.05Å
303D91.4Very high93.7Very high32 Ų3235.2 Ų35.217%0.17118%0.175CC..PPolyproline II helixtrans-65.8161.5176.866.30.2000112.4I227 D305 G306 K307 Q308I227-D303 HydrophobicContact CG2-CB 4.34Å; D303-D305 PolarHBondContact O-N 3.06Å; D303-D305 VanDerWaalsContact O-N 3.11Å; D303-G306 PolarHBondContact O-N 2.87Å; D303-G306 PolarHBondContact OD1-N 3.3Å; D303-K307 PolarHBondContact OD1-N 2.91Å; D303-Q308 PolarHBondContact N-O 3.35Å; D303-Q308 PolarHBondContact OD1-N 2.89Å; D303-Q308 VanDerWaalsContact OD1-N 3.07Å; D303-Q308 PolarHBondContact OD2-N 3.24Å
304K84.6Confident93.6Very high160 Ų16035.1 Ų35.170%0.69617%0.173SC*.THydrogen-bonded Turntrans-54.1-33-179.4-175.6176.1-179.7174.50113.3G306K304-G306 VanDerWaalsContact C-N 3.28Å; K304-G306 PolarHBondContact O-N 2.91Å
305D83.6Confident93.5Very high106 Ų10635.5 Ų35.557%0.56717%0.174SC*.THydrogen-bonded Turntrans-77.7-11.5179.8-80.115.3000113.3D303 K307D303-D305 PolarHBondContact O-N 3.06Å; D303-D305 VanDerWaalsContact O-N 3.11Å; D305-K307 HydrophobicContact CB-CB 4.36Å; D305-K307 HydrophobicContact CB-CD 3.88Å; D305-K307 HydrophobicContact CB-CG 3.97Å; D305-K307 PolarHBondContact O-N 2.82Å; D305-K307 IonicContact OD2-NZ 3.55Å; D305-K307 PolarHBondContact OD2-NZ 3.23Å
306G84Confident93.5Very high33 Ų3335.8 Ų35.834%0.3418%0.176SC..SBendtrans68.116.6-175.500000114.3D303 K304D303-G306 PolarHBondContact O-N 2.87Å; D303-G306 PolarHBondContact OD1-N 3.3Å; K304-G306 VanDerWaalsContact C-N 3.28Å; K304-G306 PolarHBondContact O-N 2.91Å
307K86.2Confident93.4Very high124 Ų12437.5 Ų37.554%0.53918%0.182SC..SBendtrans-96-35.3-172.1-71.2173.3-169.2152.60112.4R278 D303 D305R278-K307 PolarHBondContact NH1-O 2.63Å; D303-K307 PolarHBondContact OD1-N 2.91Å; D305-K307 HydrophobicContact CB-CB 4.36Å; D305-K307 HydrophobicContact CB-CD 3.88Å; D305-K307 HydrophobicContact CB-CG 3.97Å; D305-K307 PolarHBondContact O-N 2.82Å; D305-K307 IonicContact OD2-NZ 3.55Å; D305-K307 PolarHBondContact OD2-NZ 3.23Å
308Q92.9Very high93.4Very high80 Ų8037.5 Ų37.537%0.37418%0.182SC..  trans-123.4149.2-179.1-57.4-57.7-14.900111.4R278 I302 D303 Y310R278-Q308 VanDerWaalsContact NH2-OE1 3.1Å; I302-Q308 WeakPolarHBondContact CA-O 3.48Å; D303-Q308 PolarHBondContact N-O 3.35Å; D303-Q308 PolarHBondContact OD1-N 2.89Å; D303-Q308 VanDerWaalsContact OD1-N 3.07Å; D303-Q308 PolarHBondContact OD2-N 3.24Å; Q308-Y310 HydrophobicContact CB-CE2 3.96Å
309F96.4Very high93.4Very high3 Ų337.7 Ų37.71%0.01318%0.184CC..EExtended strand (participates in β ladder)trans-129.1149.9173.266.6-87.5000108.9P153 M275 R278 M279 A282 F300 L301 I302P153-F309 WeakPolarHBondContact CB-O 3.31Å; P153-F309 HydrophobicContact CG-CE2 3.94Å; P153-F309 HydrophobicContact CG-CZ 4.05Å; M275-F309 HydrophobicContact CE-CB 3.92Å; M275-F309 HydrophobicContact CE-CD1 3.66Å; M275-F309 HydrophobicContact CE-CG 4.26Å; M275-F309 HydrophobicContact SD-CD1 3.58Å; M275-F309 VanDerWaalsContact SD-CD1 3.58Å; M275-F309 HydrophobicContact SD-CE1 4.08Å; R278-F309 HydrophobicContact CB-CE1 3.76Å; R278-F309 HydrophobicContact CB-CZ 4.06Å; M279-F309 HydrophobicContact CG-CB 4.41Å; M279-F309 HydrophobicContact CG-CD1 3.68Å; M279-F309 HydrophobicContact CG-CD2 3.94Å; M279-F309 HydrophobicContact CG-CE1 3.79Å; M279-F309 HydrophobicContact CG-CE2 4.05Å; M279-F309 HydrophobicContact CG-CG 3.75Å; M279-F309 HydrophobicContact CG-CZ 3.97Å; M279-F309 HydrophobicContact SD-CG 4.48Å; A282-F309 HydrophobicContact CB-CE2 3.83Å; A282-F309 HydrophobicContact CB-CZ 4.11Å; F300-F309 HydrophobicContact CB-CB 4.46Å; F300-F309 AromaticContact CD1-CD2 3.56Å; F300-F309 HydrophobicContact CD1-CD2 3.56Å; F300-F309 HydrophobicContact CD1-CE2 4.14Å; F300-F309 AromaticContact CE1-CD2 3.79Å; F300-F309 HydrophobicContact CE1-CD2 3.79Å; F300-F309 AromaticContact CE1-CE2 3.87Å; F300-F309 HydrophobicContact CE1-CE2 3.87Å; F300-F309 HydrophobicContact CG-CD2 4.07Å; F300-F309 HydrophobicContact CZ-CD2 4.45Å; F300-F309 HydrophobicContact CZ-CE2 4.31Å; L301-F309 CarbonylContact O-C 3.5Å; L301-F309 VanDerWaalsContact O-CA 3.23Å; L301-F309 WeakPolarHBondContact O-CA 3.42Å; I302-F309 HydrophobicContact CG1-CB 4.05Å
310Y96.4Very high93.5Very high57 Ų5738 Ų3822%0.22419%0.185CC..EExtended strand (participates in β ladder)trans-136133.1-176.8-53.4-81.1000109.9P153 V155 I227 F300 L301 Q308 M312P153-Y310 CarbonylContact O-C 3.53Å; V155-Y310 VanDerWaalsContact CG2-CB 3.43Å; V155-Y310 HydrophobicContact CG2-CD1 4.35Å; V155-Y310 HydrophobicContact CG2-CD2 4.43Å; V155-Y310 HydrophobicContact CG2-CG 3.84Å; I227-Y310 HydrophobicContact CD1-CD2 4.2Å; I227-Y310 HydrophobicContact CD1-CE2 3.95Å; I227-Y310 HydrophobicContact CG1-CD2 4.46Å; F300-Y310 CarbonylContact C-O 3.49Å; F300-Y310 WeakPolarHBondContact CA-O 3.03Å; L301-Y310 PolarHBondContact N-O 3.45Å; L301-Y310 PolarHBondContact O-N 3.42Å; Q308-Y310 HydrophobicContact CB-CE2 3.96Å; Y310-M312 PolarHBondContact O-N 3.3Å
311F96.1Very high93.5Very high3 Ų338 Ų381%0.01319%0.185CC..EExtended strand (participates in β ladder)trans-59.9131.5173.9172.3-92000110.3M137 A143 M147 V152 P153 T154 V298 F300 E313 M314M137-F311 HydrophobicContact CE-CE2 4.18Å; M137-F311 HydrophobicContact CE-CZ 3.59Å; A143-F311 HydrophobicContact CB-CE1 4.41Å; M147-F311 HydrophobicContact CB-CD1 4.16Å; M147-F311 HydrophobicContact CB-CE1 4.38Å; M147-F311 HydrophobicContact CB-CG 4.33Å; M147-F311 HydrophobicContact CG-CD1 3.65Å; M147-F311 HydrophobicContact CG-CD2 3.8Å; M147-F311 HydrophobicContact CG-CE1 3.5Å; M147-F311 VanDerWaalsContact CG-CE1 3.5Å; M147-F311 HydrophobicContact CG-CE2 3.65Å; M147-F311 HydrophobicContact CG-CG 3.79Å; M147-F311 HydrophobicContact CG-CZ 3.49Å; M147-F311 VanDerWaalsContact CG-CZ 3.49Å; M147-F311 HydrophobicContact SD-CD2 4.01Å; M147-F311 HydrophobicContact SD-CE2 3.75Å; M147-F311 HydrophobicContact SD-CZ 4.09Å; V152-F311 HydrophobicContact CG1-CB 3.75Å; V152-F311 HydrophobicContact CG1-CD2 4.29Å; V152-F311 HydrophobicContact CG1-CG 4.28Å; P153-F311 WeakPolarHBondContact O-CB 3.19Å; P153-F311 PolarHBondContact O-N 2.76Å; T154-F311 HydrophobicContact CG2-CB 4.28Å; T154-F311 HydrophobicContact CG2-CD1 4.45Å; V298-F311 HydrophobicContact CG1-CD2 3.77Å; V298-F311 HydrophobicContact CG1-CE2 3.95Å; F300-F311 HydrophobicContact CD1-CB 4.3Å; F300-F311 HydrophobicContact CE1-CB 4.21Å; F311-E313 VanDerWaalsContact CE2-C 3.44Å; F311-E313 WeakPolarHBondContact CE2-O 3.48Å; F311-M314 HydrophobicContact CE2-CB 4.18Å; F311-M314 HydrophobicContact CZ-CB 4.33Å
312M91.7Very high93.7Very high45 Ų4537 Ų3722%0.22218%0.18CC..EExtended strand (participates in β ladder)trans-104-60.8174.6-172.4170.870.700110.4H232 E299 L301 Y310H232-M312 WeakPolarHBondContact NE2-CE 3.14Å; E299-M312 HydrophobicContact CB-CB 4.45Å; E299-M312 HydrophobicContact CB-CE 3.92Å; E299-M312 PolarHBondContact O-N 3.38Å; E299-M312 WeakPolarHBondContact OE2-CE 3.26Å; L301-M312 HydrophobicContact CD1-SD 4.25Å; L301-M312 HydrophobicContact CD2-SD 3.99Å; L301-M312 HydrophobicContact CG-CB 4.39Å; L301-M312 HydrophobicContact CG-SD 4.07Å; Y310-M312 PolarHBondContact O-N 3.3Å
313E92.3Very high93.9Very high55 Ų5537 Ų3726%0.25718%0.18SC..EExtended strand (participates in β ladder)trans-160.9174.2178.362.1-172.2-174.400111.4E299 F311E299-E313 HydrophobicContact CB-CG 4.35Å; E299-E313 PolarHBondContact N-O 2.84Å; F311-E313 VanDerWaalsContact CE2-C 3.44Å; F311-E313 WeakPolarHBondContact CE2-O 3.48Å
314M95.1Very high94.2Very high8 Ų835.5 Ų35.54%0.03917%0.172CC..EExtended strand (participates in β ladder)trans-126115173.4-175.9-176.2-172.800108.8M137 I237 A287 V290 Y292 T297 V298 F311 T316M137-M314 HydrophobicContact CB-CB 4.39Å; M137-M314 HydrophobicContact CE-CB 3.44Å; M137-M314 VanDerWaalsContact CE-CB 3.44Å; M137-M314 HydrophobicContact CE-CG 4.34Å; M137-M314 HydrophobicContact CE-SD 3.94Å; M137-M314 HydrophobicContact CG-CB 4.24Å; M137-M314 HydrophobicContact CG-CG 4.46Å; M137-M314 HydrophobicContact CG-SD 3.72Å; M137-M314 HydrophobicContact SD-SD 4.2Å; I237-M314 HydrophobicContact CD1-CE 3.32Å; A287-M314 HydrophobicContact CB-CE 4.48Å; V290-M314 HydrophobicContact CG2-CE 4.39Å; V290-M314 HydrophobicContact CG2-SD 4.41Å; Y292-M314 HydrophobicContact CD1-CE 4.16Å; Y292-M314 HydrophobicContact CD2-CE 3.23Å; Y292-M314 HydrophobicContact CD2-SD 4.33Å; Y292-M314 HydrophobicContact CE1-CE 4.46Å; Y292-M314 HydrophobicContact CE2-CE 3.59Å; Y292-M314 HydrophobicContact CG-CE 3.55Å; T297-M314 CarbonylContact O-C 3.45Å; T297-M314 VanDerWaalsContact O-CA 3.31Å; T297-M314 WeakPolarHBondContact O-CA 3.2Å; V298-M314 HydrophobicContact CG2-CG 4.24Å; F311-M314 HydrophobicContact CE2-CB 4.18Å; F311-M314 HydrophobicContact CZ-CB 4.33Å; M314-T316 PolarHBondContact O-N 2.79Å
315N95.4Very high94.9Very high13 Ų1327.9 Ų27.97%0.0714%0.139CC..EExtended strand (participates in β ladder)trans-81.2120.3176.5-75.5-89.4000108.9T297 E299 R317 Q319T297-N315 PolarHBondContact N-O 2.84Å; T297-N315 VanDerWaalsContact N-O 3.15Å; T297-N315 PolarHBondContact O-N 2.87Å; E299-N315 PolarHBondContact OE1-ND2 2.72Å; N315-R317 HydrophobicContact CB-CG 4.38Å; N315-R317 PolarHBondContact O-N 2.65Å; N315-R317 PolarHBondContact OD1-NH2 3.45Å; N315-Q319 VanDerWaalsContact CB-NE2 3.32Å; N315-Q319 PolarHBondContact ND2-NE2 2.9Å; N315-Q319 VanDerWaalsContact ND2-NE2 3.19Å
316T97Very high95.6Very high6 Ų623.2 Ų23.24%0.03711%0.114CC..SBendtrans-90.744.5-168.558.20000112.3E111 P129 M137 Y292 M314E111-T316 PolarHBondContact OE1-N 3.27Å; P129-T316 WeakPolarHBondContact CD-O 3.32Å; P129-T316 VanDerWaalsContact CG-O 3.23Å; P129-T316 WeakPolarHBondContact CG-O 3.38Å; M137-T316 HydrophobicContact CB-CG2 3.79Å; M137-T316 HydrophobicContact CG-CG2 4.25Å; Y292-T316 HydrophobicContact CE2-CG2 3.86Å; Y292-T316 WeakPolarHBondContact OH-CA 3.47Å; M314-T316 PolarHBondContact O-N 2.79Å
317R97.4Very high96.3Very high35 Ų3523.6 Ų23.613%0.13211%0.108CC..SBendtrans-159.1173.3-171.155.4173.5173.176.89.7111.5S110 E111 Y292 A295 N315S110-R317 WeakPolarHBondContact OG-CD 3.5Å; E111-R317 VanDerWaalsContact CD-CD 3.49Å; E111-R317 VanDerWaalsContact CD-NE 3.33Å; E111-R317 HydrophobicContact CG-CB 4.17Å; E111-R317 HydrophobicContact CG-CG 3.94Å; E111-R317 IonicContact OE1-NE 3.72Å; E111-R317 WeakPolarHBondContact OE2-CD 3.31Å; E111-R317 IonicContact OE2-CZ 3.89Å; E111-R317 IonicContact OE2-NE 3.31Å; E111-R317 PolarHBondContact OE2-NE 3.45Å; Y292-R317 PolarHBondContact OH-N 3.41Å; A295-R317 CarbonylContact O-C 2.84Å; N315-R317 HydrophobicContact CB-CG 4.38Å; N315-R317 PolarHBondContact O-N 2.65Å; N315-R317 PolarHBondContact OD1-NH2 3.45Å
318L98.1Very high96.9Very high0 Ų017.8 Ų17.80%08%0.082CC..  trans-64.3135.6161.8-170.767.5000109.3I37 Y106 A295 H322 L333 V334I37-L318 HydrophobicContact CD1-CD2 4.2Å; Y106-L318 WeakPolarHBondContact CB-O 3.38Å; A295-L318 HydrophobicContact CB-CD1 3.99Å; L318-H322 HydrophobicContact CD1-CB 3.72Å; L318-H322 HydrophobicContact CG-CB 4.18Å; L318-L333 HydrophobicContact CD1-CB 3.99Å; L318-L333 HydrophobicContact CD1-CD1 4.25Å; L318-V334 HydrophobicContact CD2-CG2 3.92Å
319Q98Very high97.1Very high5 Ų515 Ų152%0.0237%0.07CC..  trans-82.2155.3173.5-82.6-68.413.400111.8T297 E299 N315 E321 H322T297-Q319 HydrophobicContact CG2-CG 3.93Å; T297-Q319 VanDerWaalsContact OG1-CG 3.26Å; T297-Q319 WeakPolarHBondContact OG1-CG 3.34Å; E299-Q319 PolarHBondContact OE1-NE2 3.11Å; N315-Q319 VanDerWaalsContact CB-NE2 3.32Å; N315-Q319 PolarHBondContact ND2-NE2 2.9Å; N315-Q319 VanDerWaalsContact ND2-NE2 3.19Å; Q319-E321 HydrophobicContact CB-CG 4.13Å; Q319-E321 PolarHBondContact O-N 2.8Å; Q319-E321 PolarHBondContact OE1-OE2 2.76Å; Q319-H322 WeakPolarHBondContact O-CB 3.31Å; Q319-H322 PolarHBondContact O-N 2.84Å; Q319-H322 PolarHBondContact O-ND1 3.49Å
320V98.5Very high97.2Very high12 Ų1218.3 Ų18.37%0.07311%0.106CC..THydrogen-bonded Turntrans-61.5-42.9-179.8-178.40000109.6Y106 H322 P323 L414 K417Y106-V320 HydrophobicContact CD1-CB 4.5Å; Y106-V320 HydrophobicContact CD1-CG2 3.93Å; Y106-V320 HydrophobicContact CD2-CG2 3.86Å; Y106-V320 HydrophobicContact CE1-CB 4.17Å; Y106-V320 HydrophobicContact CE1-CG1 4.23Å; Y106-V320 HydrophobicContact CE1-CG2 3.85Å; Y106-V320 HydrophobicContact CE2-CG2 3.83Å; Y106-V320 HydrophobicContact CG-CG2 3.95Å; V320-H322 VanDerWaalsContact C-N 3.27Å; V320-H322 PolarHBondContact O-N 2.8Å; V320-P323 VanDerWaalsContact O-CD 3.22Å; V320-P323 WeakPolarHBondContact O-CD 3.26Å; V320-L414 HydrophobicContact CG1-CD2 4.26Å; V320-K417 HydrophobicContact CG1-CD 3.68Å; V320-K417 PolarHBondContact O-NZ 2.8Å
321E98.5Very high97.2Very high0 Ų016.8 Ų16.80%010%0.101CC..THydrogen-bonded Turntrans-81.413.6-178.959.7-92.1-136.200114.3E234 R251 K261 E264 Q319 V324 E362 R364E234-E321 WeakPolarHBondContact OE1-CG 3.4Å; R251-E321 WeakPolarHBondContact CD-O 3.13Å; K261-E321 WeakPolarHBondContact CD-OE1 3.36Å; K261-E321 WeakPolarHBondContact CE-OE1 3.43Å; K261-E321 IonicContact NZ-OE1 2.83Å; K261-E321 PolarHBondContact NZ-OE1 3.35Å; E264-E321 HydrophobicContact CB-CB 3.94Å; E264-E321 HydrophobicContact CG-CB 3.6Å; E264-E321 HydrophobicContact CG-CG 4.09Å; Q319-E321 HydrophobicContact CB-CG 4.13Å; Q319-E321 PolarHBondContact O-N 2.8Å; Q319-E321 PolarHBondContact OE1-OE2 2.76Å; E321-V324 WeakPolarHBondContact O-CG2 3.33Å; E321-V324 PolarHBondContact O-N 3.23Å; E321-E362 WeakPolarHBondContact CA-OE1 3.32Å; E321-R364 IonicContact OE1-NH2 3.77Å; E321-R364 IonicContact OE2-CZ 2.79Å; E321-R364 IonicContact OE2-NH2 3.61Å; E321-R364 PolarHBondContact OE2-NH2 2.87Å
322H98.8Very high97.4Very high0 Ų017.9 Ų17.90%011%0.107CC..Hα-helixtrans-55.4-29.6172.374.3-84.8000115R40 L318 Q319 V320 V324 T325 E326 L333R40-H322 PolarHBondContact NE-NE2 3.23Å; R40-H322 VanDerWaalsContact NE-NE2 3.15Å; L318-H322 HydrophobicContact CD1-CB 3.72Å; L318-H322 HydrophobicContact CG-CB 4.18Å; Q319-H322 WeakPolarHBondContact O-CB 3.31Å; Q319-H322 PolarHBondContact O-N 2.84Å; Q319-H322 PolarHBondContact O-ND1 3.49Å; V320-H322 VanDerWaalsContact C-N 3.27Å; V320-H322 PolarHBondContact O-N 2.8Å; H322-V324 VanDerWaalsContact C-N 3.31Å; H322-V324 PolarHBondContact O-N 2.74Å; H322-T325 VanDerWaalsContact O-CB 3.32Å; H322-T325 WeakPolarHBondContact O-CB 3.18Å; H322-T325 PolarHBondContact O-N 2.91Å; H322-E326 IonicContact CD2-OE1 2.92Å; H322-E326 PolarHBondContact CD2-OE1 2.9Å; H322-E326 IonicContact CD2-OE2 3.87Å; H322-E326 IonicContact NE2-OE1 3.94Å; H322-E326 PolarHBondContact O-N 3.32Å; H322-E326 VanDerWaalsContact O-N 3.07Å; H322-L333 HydrophobicContact CB-CD1 3.94Å
323P98.8Very high97.7Very high0 Ų015.7 Ų15.70%010%0.096CC..Hα-helixtrans-60.3-32.7-178.4-28.438.8000114.6V320 T325 E326 M327 E362 E398 I419V320-P323 VanDerWaalsContact O-CD 3.22Å; V320-P323 WeakPolarHBondContact O-CD 3.26Å; P323-T325 PolarHBondContact O-N 3.48Å; P323-E326 WeakPolarHBondContact O-CB 3.37Å; P323-E326 PolarHBondContact O-N 3.42Å; P323-E326 VanDerWaalsContact O-N 3.1Å; P323-M327 VanDerWaalsContact O-CG 3.3Å; P323-M327 WeakPolarHBondContact O-CG 3.37Å; P323-M327 PolarHBondContact O-N 3.12Å; P323-E362 WeakPolarHBondContact CB-OE2 3.44Å; P323-E362 WeakPolarHBondContact CD-OE2 3.38Å; P323-E362 WeakPolarHBondContact CG-OE2 3.17Å; P323-E398 HydrophobicContact CG-CG 4.37Å; P323-I419 HydrophobicContact CB-CD1 4.06Å; P323-I419 HydrophobicContact CB-CG1 3.84Å; P323-I419 HydrophobicContact CB-CG2 4.5Å; P323-I419 HydrophobicContact CG-CD1 4.45Å
324V98.8Very high98Very high0 Ų013.1 Ų13.10%08%0.084CC..Hα-helixtrans-62.5-35.8175.2-66.30000111.7R251 A266 E321 H322 M327 I328 E362 I419R251-V324 HydrophobicContact CG-CG2 3.82Å; A266-V324 HydrophobicContact CB-CB 3.8Å; A266-V324 HydrophobicContact CB-CG2 3.76Å; E321-V324 WeakPolarHBondContact O-CG2 3.33Å; E321-V324 PolarHBondContact O-N 3.23Å; H322-V324 VanDerWaalsContact C-N 3.31Å; H322-V324 PolarHBondContact O-N 2.74Å; V324-M327 PolarHBondContact O-N 3.41Å; V324-I328 PolarHBondContact O-N 3.39Å; V324-E362 HydrophobicContact CG1-CB 3.33Å; V324-I419 HydrophobicContact CG1-CG2 4.25Å
325T98.8Very high98.2Very high0 Ų014.1 Ų14.10%09%0.089CC..Hα-helixtrans-66.1-43172-63.50000111.2Q236 L248 R251 H322 P323 M327 I328 T329 L333Q236-T325 HydrophobicContact CB-CG2 4.18Å; Q236-T325 HydrophobicContact CG-CG2 4.13Å; L248-T325 HydrophobicContact CB-CG2 3.7Å; L248-T325 WeakPolarHBondContact O-CG2 3.41Å; R251-T325 WeakPolarHBondContact CD-OG1 3Å; R251-T325 PolarHBondContact NH1-OG1 3.25Å; H322-T325 VanDerWaalsContact O-CB 3.32Å; H322-T325 WeakPolarHBondContact O-CB 3.18Å; H322-T325 PolarHBondContact O-N 2.91Å; P323-T325 PolarHBondContact O-N 3.48Å; T325-M327 VanDerWaalsContact C-N 3.32Å; T325-M327 PolarHBondContact O-N 2.93Å; T325-I328 WeakPolarHBondContact O-CG1 3.15Å; T325-I328 PolarHBondContact O-N 3.18Å; T325-T329 HydrophobicContact CG2-CG2 4.28Å; T325-T329 WeakPolarHBondContact O-CB 3.46Å; T325-T329 WeakPolarHBondContact O-CG2 3.22Å; T325-T329 PolarHBondContact O-N 3.29Å; T325-T329 PolarHBondContact O-OG1 2.91Å; T325-L333 HydrophobicContact CG2-CD1 4.37Å
326E98.7Very high98.3Very high9 Ų914.2 Ų14.24%0.0429%0.088CC..Hα-helixtrans-61.4-40.3177-61.4-167.8152.800111.8R40 H322 P323 I328 T329 G330 M331 L333 R396R40-E326 IonicContact CZ-OE1 3.58Å; R40-E326 IonicContact CZ-OE2 3.38Å; R40-E326 IonicContact NE-OE2 2.6Å; R40-E326 VanDerWaalsContact NH2-CD 3.29Å; R40-E326 IonicContact NH2-OE1 2.6Å; R40-E326 PolarHBondContact NH2-OE1 2.9Å; R40-E326 IonicContact NH2-OE2 3.04Å; R40-E326 PolarHBondContact NH2-OE2 3.41Å; H322-E326 IonicContact CD2-OE1 2.92Å; H322-E326 PolarHBondContact CD2-OE1 2.9Å; H322-E326 IonicContact CD2-OE2 3.87Å; H322-E326 IonicContact NE2-OE1 3.94Å; H322-E326 PolarHBondContact O-N 3.32Å; H322-E326 VanDerWaalsContact O-N 3.07Å; P323-E326 WeakPolarHBondContact O-CB 3.37Å; P323-E326 PolarHBondContact O-N 3.42Å; P323-E326 VanDerWaalsContact O-N 3.1Å; E326-I328 PolarHBondContact O-N 3.21Å; E326-T329 PolarHBondContact O-N 3.47Å; E326-G330 VanDerWaalsContact O-CA 3.28Å; E326-G330 WeakPolarHBondContact O-CA 3.13Å; E326-G330 PolarHBondContact O-N 3.05Å; E326-M331 WeakPolarHBondContact CA-O 3.45Å; E326-M331 VanDerWaalsContact CB-O 3.24Å; E326-M331 WeakPolarHBondContact CB-O 3.39Å; E326-M331 WeakPolarHBondContact CG-O 3.21Å; E326-L333 HydrophobicContact CG-CG 3.89Å; E326-L333 PolarHBondContact OE1-N 3.47Å; E326-R396 IonicContact OE2-CZ 3.29Å; E326-R396 IonicContact OE2-NH1 2.85Å; E326-R396 PolarHBondContact OE2-NH1 3.47Å; E326-R396 IonicContact OE2-NH2 3.73Å; E326-R396 PolarHBondContact OE2-NH2 3.44Å
327M98.4Very high98.4Very high41 Ų4114.2 Ų14.220%0.2029%0.088CC..Hα-helixtrans-66.3-36.7-178.3-70-58.6-7100112.7P323 V324 T325 S360 R396 I419 W421P323-M327 VanDerWaalsContact O-CG 3.3Å; P323-M327 WeakPolarHBondContact O-CG 3.37Å; P323-M327 PolarHBondContact O-N 3.12Å; V324-M327 PolarHBondContact O-N 3.41Å; T325-M327 VanDerWaalsContact C-N 3.32Å; T325-M327 PolarHBondContact O-N 2.93Å; M327-S360 WeakPolarHBondContact CB-OG 3.46Å; M327-R396 HydrophobicContact SD-CB 4.26Å; M327-I419 HydrophobicContact CG-CG2 3.64Å; M327-W421 HydrophobicContact CB-CB 4.13Å; M327-W421 HydrophobicContact CB-CG 4.26Å; M327-W421 HydrophobicContact CE-CB 3.39Å; M327-W421 HydrophobicContact CE-CG 4.1Å; M327-W421 HydrophobicContact CG-CB 4.5Å; M327-W421 PolarHBondContact O-NE1 3.43Å
328I98.5Very high98.4Very high2 Ų212.7 Ų12.71%0.018%0.082CC..Hα-helixtrans-83.5-28.1178.265.8170.3000113.5F249 A266 V324 T325 E326 A356 R357F249-I328 HydrophobicContact CB-CD1 4.12Å; A266-I328 HydrophobicContact CB-CD1 3.71Å; A266-I328 HydrophobicContact CB-CG1 4.37Å; A266-I328 VanDerWaalsContact O-CG2 3.3Å; A266-I328 WeakPolarHBondContact O-CG2 3.11Å; V324-I328 PolarHBondContact O-N 3.39Å; T325-I328 WeakPolarHBondContact O-CG1 3.15Å; T325-I328 PolarHBondContact O-N 3.18Å; E326-I328 PolarHBondContact O-N 3.21Å; I328-A356 HydrophobicContact CB-CB 4.43Å; I328-A356 HydrophobicContact CD1-CB 4.01Å; I328-A356 HydrophobicContact CG1-CB 4.42Å; I328-A356 CarbonylContact O-C 3.51Å; I328-A356 WeakPolarHBondContact O-CA 3.14Å; I328-R357 PolarHBondContact O-N 3.03Å
329T98.3Very high98.4Very high20 Ų2016.5 Ų16.512%0.12310%0.096CC..Hα-helixtrans-94.6-23.6-177.958.70000113.2L248 F249 T325 E326 M331 I354L248-T329 HydrophobicContact CB-CG2 4.45Å; L248-T329 HydrophobicContact CD2-CG2 4.34Å; F249-T329 HydrophobicContact CD2-CG2 4.23Å; T325-T329 HydrophobicContact CG2-CG2 4.28Å; T325-T329 WeakPolarHBondContact O-CB 3.46Å; T325-T329 WeakPolarHBondContact O-CG2 3.22Å; T325-T329 PolarHBondContact O-N 3.29Å; T325-T329 PolarHBondContact O-OG1 2.91Å; E326-T329 PolarHBondContact O-N 3.47Å; T329-M331 PolarHBondContact O-N 3.48Å; T329-M331 PolarHBondContact OG1-N 2.71Å; T329-I354 HydrophobicContact CG2-CG2 4.49Å
330G97.2Very high98.4Very high73 Ų7316.4 Ų16.475%0.75310%0.096SC*.  trans7114.7-170.900000114E326E326-G330 VanDerWaalsContact O-CA 3.28Å; E326-G330 WeakPolarHBondContact O-CA 3.13Å; E326-G330 PolarHBondContact O-N 3.05Å
331M97.7Very high98.3Very high25 Ų2516.8 Ų16.812%0.12310%0.101CC..  trans-100.1141.1-178.1-57.8-177.6-17000110.4L248 E326 T329 L333 W336 I348 I354L248-M331 HydrophobicContact CD2-CE 4.4Å; L248-M331 HydrophobicContact CD2-CG 4.49Å; L248-M331 HydrophobicContact CD2-SD 3.26Å; L248-M331 WeakPolarHBondContact CD2-SD 3.35Å; E326-M331 WeakPolarHBondContact CA-O 3.45Å; E326-M331 VanDerWaalsContact CB-O 3.24Å; E326-M331 WeakPolarHBondContact CB-O 3.39Å; E326-M331 WeakPolarHBondContact CG-O 3.21Å; T329-M331 PolarHBondContact O-N 3.48Å; T329-M331 PolarHBondContact OG1-N 2.71Å; M331-L333 HydrophobicContact CB-CD2 4.39Å; M331-W336 HydrophobicContact CE-CZ2 4.45Å; M331-W336 HydrophobicContact CG-CZ2 4.33Å; M331-W336 HydrophobicContact SD-CH2 3.69Å; M331-W336 HydrophobicContact SD-CZ2 3.41Å; M331-W336 WeakPolarHBondContact SD-CZ2 3.44Å; M331-I348 HydrophobicContact CE-CD1 3.56Å; M331-I348 HydrophobicContact SD-CD1 4.45Å; M331-I354 HydrophobicContact CE-CB 4.3Å; M331-I354 HydrophobicContact CE-CG1 4.16Å; M331-I354 HydrophobicContact CE-CG2 3.87Å
332D98.5Very high98.2Very high26 Ų2617.4 Ų17.414%0.13911%0.105CC..  trans-92.9109.2170.3-177.1-27.4000108.7R40 T44 R47 V334 E335 W336R40-D332 IonicContact CZ-OD1 3.88Å; R40-D332 IonicContact NH1-OD1 3.94Å; R40-D332 IonicContact NH1-OD2 3.97Å; R40-D332 VanDerWaalsContact NH2-CG 3.29Å; R40-D332 IonicContact NH2-OD1 3.57Å; R40-D332 PolarHBondContact NH2-OD1 2.86Å; R40-D332 IonicContact NH2-OD2 2.66Å; T44-D332 WeakPolarHBondContact CG2-OD2 3.44Å; T44-D332 PolarHBondContact OG1-OD1 3.16Å; T44-D332 PolarHBondContact OG1-OD2 3Å; R47-D332 IonicContact CZ-OD2 2.71Å; R47-D332 IonicContact NH2-OD2 2.65Å; R47-D332 PolarHBondContact NH2-OD2 3.12Å; D332-V334 VanDerWaalsContact C-N 3.35Å; D332-V334 WeakPolarHBondContact OD1-CA 3.3Å; D332-V334 WeakPolarHBondContact OD1-CB 3.4Å; D332-V334 PolarHBondContact OD1-N 3.09Å; D332-E335 HydrophobicContact CB-CB 3.85Å; D332-E335 WeakPolarHBondContact O-CB 2.99Å; D332-E335 PolarHBondContact O-N 2.85Å; D332-E335 PolarHBondContact OD1-N 3.36Å; D332-W336 VanDerWaalsContact O-CD1 3.31Å; D332-W336 PolarHBondContact O-N 2.7Å; D332-W336 VanDerWaalsContact O-N 3.11Å
333L98.7Very high98.1Very high0 Ų018.1 Ų18.10%011%0.112CC..Hα-helixtrans-71.2-32.3-176.2-57.9-161.6000111.6Q236 F238 L248 L318 H322 T325 E326 M331 E335 W336 Q337Q236-L333 HydrophobicContact CG-CD1 3.78Å; F238-L333 HydrophobicContact CE2-CB 3.97Å; F238-L333 HydrophobicContact CE2-CD1 4.15Å; F238-L333 HydrophobicContact CE2-CD2 3.93Å; F238-L333 HydrophobicContact CE2-CG 4.21Å; F238-L333 HydrophobicContact CZ-CB 4.15Å; F238-L333 WeakPolarHBondContact CZ-O 3.42Å; L248-L333 HydrophobicContact CD1-CD2 3.98Å; L248-L333 HydrophobicContact CD2-CD2 4.39Å; L318-L333 HydrophobicContact CD1-CB 3.99Å; L318-L333 HydrophobicContact CD1-CD1 4.25Å; H322-L333 HydrophobicContact CB-CD1 3.94Å; T325-L333 HydrophobicContact CG2-CD1 4.37Å; E326-L333 HydrophobicContact CG-CG 3.89Å; E326-L333 PolarHBondContact OE1-N 3.47Å; M331-L333 HydrophobicContact CB-CD2 4.39Å; L333-E335 VanDerWaalsContact C-N 3.3Å; L333-E335 PolarHBondContact O-N 3.48Å; L333-W336 PolarHBondContact O-N 2.8Å; L333-Q337 WeakPolarHBondContact O-CG 3.23Å; L333-Q337 PolarHBondContact O-N 2.69Å
334V98.7Very high98Very high0 Ų021.3 Ų21.30%013%0.127CC..Hα-helixtrans-64.9-39.4174.1178.60000110R40 I41 T44 L318 D332 W336 Q337 L338R40-V334 HydrophobicContact CG-CG2 4.35Å; I41-V334 HydrophobicContact CG1-CG1 4.35Å; I41-V334 HydrophobicContact CG2-CG1 4.37Å; T44-V334 HydrophobicContact CG2-CB 4.08Å; T44-V334 HydrophobicContact CG2-CG1 3.93Å; L318-V334 HydrophobicContact CD2-CG2 3.92Å; D332-V334 VanDerWaalsContact C-N 3.35Å; D332-V334 WeakPolarHBondContact OD1-CA 3.3Å; D332-V334 WeakPolarHBondContact OD1-CB 3.4Å; D332-V334 PolarHBondContact OD1-N 3.09Å; V334-W336 PolarHBondContact O-N 3.43Å; V334-Q337 PolarHBondContact O-N 3.05Å; V334-L338 HydrophobicContact CG1-CD1 4.15Å; V334-L338 VanDerWaalsContact O-CG 3.32Å; V334-L338 WeakPolarHBondContact O-CG 3.48Å; V334-L338 PolarHBondContact O-N 3.36Å
335E98.6Very high97.9Very high30 Ų3023.3 Ų23.314%0.1414%0.14CC..Hα-helixtrans-61.2-45.6174.5172.1171.1170.900111T44 R47 L48 D332 L333 Q337 L338 R339T44-E335 HydrophobicContact CG2-CB 3.87Å; R47-E335 IonicContact CZ-OE2 3.43Å; R47-E335 VanDerWaalsContact CZ-OE2 3.29Å; R47-E335 IonicContact NH1-OE2 3.31Å; R47-E335 PolarHBondContact NH1-OE2 3.25Å; R47-E335 IonicContact NH2-OE2 3.11Å; R47-E335 PolarHBondContact NH2-OE2 2.89Å; L48-E335 HydrophobicContact CD1-CB 4.09Å; L48-E335 HydrophobicContact CD1-CG 3.88Å; L48-E335 HydrophobicContact CD2-CG 4.18Å; D332-E335 HydrophobicContact CB-CB 3.85Å; D332-E335 WeakPolarHBondContact O-CB 2.99Å; D332-E335 PolarHBondContact O-N 2.85Å; D332-E335 PolarHBondContact OD1-N 3.36Å; L333-E335 VanDerWaalsContact C-N 3.3Å; L333-E335 PolarHBondContact O-N 3.48Å; E335-Q337 VanDerWaalsContact C-N 3.33Å; E335-Q337 PolarHBondContact O-N 3.05Å; E335-L338 PolarHBondContact O-N 2.95Å; E335-R339 HydrophobicContact CG-CG 4.42Å; E335-R339 WeakPolarHBondContact O-CG 3.4Å; E335-R339 PolarHBondContact O-N 2.71Å; E335-R339 IonicContact OE1-CZ 3.68Å; E335-R339 VanDerWaalsContact OE1-CZ 3.32Å; E335-R339 IonicContact OE1-NE 3.6Å; E335-R339 PolarHBondContact OE1-NE 2.71Å; E335-R339 IonicContact OE1-NH2 3.14Å; E335-R339 PolarHBondContact OE1-NH2 3.38Å
336W98.3Very high97.8Very high15 Ų1523.4 Ų23.46%0.05714%0.14CC..Hα-helixtrans-61.7-41.2177.1-7938.6000112F238 V246 L248 M331 D332 L333 V334 L338 R339 I340 L346 P347 I348F238-W336 HydrophobicContact CB-CE3 4.28Å; F238-W336 HydrophobicContact CB-CZ3 4.42Å; F238-W336 HydrophobicContact CD1-CB 4.13Å; F238-W336 AromaticContact CD1-CE3 3.92Å; F238-W336 HydrophobicContact CD1-CE3 3.92Å; F238-W336 HydrophobicContact CD2-CE3 4.37Å; F238-W336 HydrophobicContact CE1-CB 3.4Å; F238-W336 VanDerWaalsContact CE1-CB 3.4Å; F238-W336 HydrophobicContact CE1-CE3 4.31Å; F238-W336 HydrophobicContact CE1-CG 4.49Å; F238-W336 HydrophobicContact CE2-CB 4.48Å; F238-W336 AromaticContact CG-CE3 3.92Å; F238-W336 HydrophobicContact CG-CE3 3.92Å; F238-W336 HydrophobicContact CZ-CB 3.59Å; V246-W336 HydrophobicContact CG2-CZ3 3.98Å; L248-W336 HydrophobicContact CD2-CH2 4.44Å; L248-W336 HydrophobicContact CD2-CZ3 4.46Å; M331-W336 HydrophobicContact CE-CZ2 4.45Å; M331-W336 HydrophobicContact CG-CZ2 4.33Å; M331-W336 HydrophobicContact SD-CH2 3.69Å; M331-W336 HydrophobicContact SD-CZ2 3.41Å; M331-W336 WeakPolarHBondContact SD-CZ2 3.44Å; D332-W336 VanDerWaalsContact O-CD1 3.31Å; D332-W336 PolarHBondContact O-N 2.7Å; D332-W336 VanDerWaalsContact O-N 3.11Å; L333-W336 PolarHBondContact O-N 2.8Å; V334-W336 PolarHBondContact O-N 3.43Å; W336-L338 VanDerWaalsContact C-N 3.34Å; W336-L338 PolarHBondContact O-N 3.47Å; W336-R339 PolarHBondContact O-N 3.3Å; W336-I340 WeakPolarHBondContact O-CB 3.27Å; W336-I340 WeakPolarHBondContact O-CD1 3.35Å; W336-I340 WeakPolarHBondContact O-CG1 3.45Å; W336-I340 PolarHBondContact O-N 2.72Å; W336-L346 HydrophobicContact CE3-CD2 3.91Å; W336-L346 HydrophobicContact CZ3-CD2 3.86Å; W336-P347 HydrophobicContact CD2-CG 4.08Å; W336-P347 HydrophobicContact CG-CG 4.25Å; W336-P347 HydrophobicContact CZ2-CB 4.07Å; W336-P347 HydrophobicContact CZ2-CG 4.26Å; W336-I348 HydrophobicContact CH2-CB 4.03Å; W336-I348 HydrophobicContact CH2-CG1 4.47Å; W336-I348 HydrophobicContact CZ2-CB 4.35Å; W336-I348 HydrophobicContact CZ2-CD1 4.28Å; W336-I348 HydrophobicContact CZ2-CG1 4.29Å
337Q98.5Very high97.7Very high5 Ų525.5 Ų25.52%0.02316%0.155CC..Hα-helixtrans-57.8-46.4174.3-73.9-175.7-83.300111.6H103 V127 F238 A295 L333 V334 E335 A341H103-Q337 PolarHBondContact NE2-OE1 3.22Å; V127-Q337 HydrophobicContact CG1-CB 3.77Å; F238-Q337 HydrophobicContact CE1-CG 4.1Å; F238-Q337 HydrophobicContact CZ-CG 3.84Å; A295-Q337 HydrophobicContact CB-CG 3.72Å; L333-Q337 WeakPolarHBondContact O-CG 3.23Å; L333-Q337 PolarHBondContact O-N 2.69Å; V334-Q337 PolarHBondContact O-N 3.05Å; E335-Q337 VanDerWaalsContact C-N 3.33Å; E335-Q337 PolarHBondContact O-N 3.05Å; Q337-A341 WeakPolarHBondContact O-CB 3.31Å; Q337-A341 PolarHBondContact O-N 3.11Å
338L98.4Very high97.7Very high3 Ų325.7 Ų25.72%0.01616%0.156CC..Hα-helixtrans-66.7-38.8-179.2-67.3170.4000112.5I26 L29 T44 L48 I50 V127 V334 E335 W336 S342I26-L338 HydrophobicContact CD1-CD2 4.23Å; L29-L338 HydrophobicContact CD1-CD2 3.98Å; L29-L338 HydrophobicContact CD2-CD1 4.49Å; L29-L338 HydrophobicContact CD2-CD2 3.73Å; L29-L338 HydrophobicContact CG-CD2 4.49Å; T44-L338 HydrophobicContact CG2-CD1 4.32Å; L48-L338 HydrophobicContact CD1-CD1 4.03Å; I50-L338 HydrophobicContact CD1-CD1 4.12Å; V127-L338 HydrophobicContact CG1-CD2 4.25Å; V127-L338 HydrophobicContact CG2-CD2 4.17Å; V334-L338 HydrophobicContact CG1-CD1 4.15Å; V334-L338 VanDerWaalsContact O-CG 3.32Å; V334-L338 WeakPolarHBondContact O-CG 3.48Å; V334-L338 PolarHBondContact O-N 3.36Å; E335-L338 PolarHBondContact O-N 2.95Å; W336-L338 VanDerWaalsContact C-N 3.34Å; W336-L338 PolarHBondContact O-N 3.47Å; L338-S342 WeakPolarHBondContact O-CB 3.16Å; L338-S342 PolarHBondContact O-N 2.9Å; L338-S342 PolarHBondContact O-OG 3.45Å
339R97.5Very high97.5Very high80 Ų8032.2 Ų32.230%0.30218%0.181SC..Hα-helixtrans-63.3-51.1175.1-72.9177.9178.7-80.2-0.8111.6E335 W336 A341 S342 G343 E344E335-R339 HydrophobicContact CG-CG 4.42Å; E335-R339 WeakPolarHBondContact O-CG 3.4Å; E335-R339 PolarHBondContact O-N 2.71Å; E335-R339 IonicContact OE1-CZ 3.68Å; E335-R339 VanDerWaalsContact OE1-CZ 3.32Å; E335-R339 IonicContact OE1-NE 3.6Å; E335-R339 PolarHBondContact OE1-NE 2.71Å; E335-R339 IonicContact OE1-NH2 3.14Å; E335-R339 PolarHBondContact OE1-NH2 3.38Å; W336-R339 PolarHBondContact O-N 3.3Å; R339-A341 VanDerWaalsContact C-N 3.34Å; R339-A341 PolarHBondContact O-N 3.41Å; R339-S342 WeakPolarHBondContact O-CA 3.48Å; R339-S342 WeakPolarHBondContact O-CB 3.45Å; R339-S342 PolarHBondContact O-N 3.1Å; R339-S342 VanDerWaalsContact O-N 3.08Å; R339-G343 PolarHBondContact O-N 2.84Å; R339-E344 HydrophobicContact CB-CB 4.18Å; R339-E344 IonicContact NH1-OE1 3.18Å; R339-E344 IonicContact NH1-OE2 3.93Å; R339-E344 PolarHBondContact NH1-OE2 3.04Å; R339-E344 WeakPolarHBondContact O-CB 3.41Å; R339-E344 PolarHBondContact O-N 3.07Å
340I97.3Very high97.5Very high4 Ų435.4 Ų35.42%0.02120%0.197CC..Hα-helixtrans-62.8-42.6179.3-70159.3000111.3F238 D240 N241 W336 S342 G343 E344 L346F238-I340 HydrophobicContact CD1-CD1 3.35Å; F238-I340 HydrophobicContact CE1-CD1 3.66Å; D240-I340 HydrophobicContact CB-CG1 4.29Å; D240-I340 HydrophobicContact CB-CG2 4.35Å; N241-I340 PolarHBondContact ND2-O 3.46Å; W336-I340 WeakPolarHBondContact O-CB 3.27Å; W336-I340 WeakPolarHBondContact O-CD1 3.35Å; W336-I340 WeakPolarHBondContact O-CG1 3.45Å; W336-I340 PolarHBondContact O-N 2.72Å; I340-S342 PolarHBondContact O-N 2.9Å; I340-G343 WeakPolarHBondContact O-CA 3.45Å; I340-G343 PolarHBondContact O-N 2.93Å; I340-E344 WeakPolarHBondContact CA-O 3.43Å; I340-L346 HydrophobicContact CD1-CD2 3.73Å
341A97.5Very high97.4Very high20 Ų2034.6 Ų34.617%0.16517%0.173CC..Hα-helixtrans-63.5-30.6175.900000112.3I26 I125 V127 Q337 R339 G343I26-A341 HydrophobicContact CD1-CB 4.08Å; I125-A341 HydrophobicContact CG2-CB 3.75Å; I125-A341 WeakPolarHBondContact CG2-O 3.23Å; V127-A341 HydrophobicContact CB-CB 4.26Å; V127-A341 HydrophobicContact CG1-CB 4.02Å; V127-A341 HydrophobicContact CG2-CB 3.96Å; Q337-A341 WeakPolarHBondContact O-CB 3.31Å; Q337-A341 PolarHBondContact O-N 3.11Å; R339-A341 VanDerWaalsContact C-N 3.34Å; R339-A341 PolarHBondContact O-N 3.41Å; A341-G343 PolarHBondContact O-N 2.77Å
342S97Very high97.4Very high13 Ų1337.4 Ų37.49%0.09120%0.196CC..THydrogen-bonded Turntrans-73.5-3.6171.9-57.10000113.5C23 K24 I26 L338 R339 I340C23-S342 CarbonylContact C-O 3.4Å; C23-S342 VanDerWaalsContact CA-O 3.24Å; C23-S342 WeakPolarHBondContact CA-O 3.24Å; K24-S342 PolarHBondContact N-O 2.94Å; K24-S342 WeakPolarHBondContact O-CA 3.44Å; I26-S342 WeakPolarHBondContact CD1-OG 3.49Å; I26-S342 WeakPolarHBondContact CG1-OG 3.36Å; L338-S342 WeakPolarHBondContact O-CB 3.16Å; L338-S342 PolarHBondContact O-N 2.9Å; L338-S342 PolarHBondContact O-OG 3.45Å; R339-S342 WeakPolarHBondContact O-CA 3.48Å; R339-S342 WeakPolarHBondContact O-CB 3.45Å; R339-S342 PolarHBondContact O-N 3.1Å; R339-S342 VanDerWaalsContact O-N 3.08Å; I340-S342 PolarHBondContact O-N 2.9Å
343G96Very high97.3Very high14 Ų1441.4 Ų41.414%0.14422%0.217CC..THydrogen-bonded Turntrans91.87.6-178.600000114.5C23 Y242 R339 I340 A341C23-G343 PolarHBondContact SG-O 3.3Å; C23-G343 VanDerWaalsContact SG-O 3.42Å; Y242-G343 WeakPolarHBondContact CE2-O 3.26Å; Y242-G343 PolarHBondContact OH-O 3.28Å; R339-G343 PolarHBondContact O-N 2.84Å; I340-G343 WeakPolarHBondContact O-CA 3.45Å; I340-G343 PolarHBondContact O-N 2.93Å; A341-G343 PolarHBondContact O-N 2.77Å
344E96.7Very high97.3Very high68 Ų6841.8 Ų41.832%0.31822%0.218SC..PPolyproline II helixtrans-73.1148.1174-63.5178.9-15200110.8R339 I340R339-E344 HydrophobicContact CB-CB 4.18Å; R339-E344 IonicContact NH1-OE1 3.18Å; R339-E344 IonicContact NH1-OE2 3.93Å; R339-E344 PolarHBondContact NH1-OE2 3.04Å; R339-E344 WeakPolarHBondContact O-CB 3.41Å; R339-E344 PolarHBondContact O-N 3.07Å; I340-E344 WeakPolarHBondContact CA-O 3.43Å
345P96.9Very high97.2Very high41 Ų4146.2 Ų46.227%0.26624%0.241SC..PPolyproline II helixtrans-70.2169.5168.931.6-35.9000111.2D240 Y242D240-P345 WeakPolarHBondContact OD2-CA 3.32Å; Y242-P345 HydrophobicContact CD2-CB 3.78Å; Y242-P345 HydrophobicContact CE2-CB 3.92Å
346L97.2Very high97.1Very high2 Ų246.2 Ų46.21%0.0125%0.246CC..PPolyproline II helixtrans-52.7131.4172.3-76.1171000111F238 D240 N244 V246 W336 I340 I348 R349F238-L346 HydrophobicContact CB-CD2 3.83Å; F238-L346 HydrophobicContact CD1-CD2 4.18Å; F238-L346 HydrophobicContact CG-CD2 4.43Å; D240-L346 HydrophobicContact CB-CG 4.02Å; D240-L346 PolarHBondContact OD2-N 3.04Å; N244-L346 HydrophobicContact CB-CD1 3.83Å; V246-L346 HydrophobicContact CG1-CD1 4.09Å; V246-L346 HydrophobicContact CG2-CD1 3.92Å; V246-L346 HydrophobicContact CG2-CD2 4.28Å; W336-L346 HydrophobicContact CE3-CD2 3.91Å; W336-L346 HydrophobicContact CZ3-CD2 3.86Å; I340-L346 HydrophobicContact CD1-CD2 3.73Å; L346-I348 PolarHBondContact O-N 3.05Å; L346-R349 HydrophobicContact CB-CG 4.02Å
347P96.2Very high97.1Very high54 Ų5452.6 Ų52.635%0.35127%0.27SS..SBendtrans-59.8-33.3175.9-26.936.2000113.1W336W336-P347 HydrophobicContact CD2-CG 4.08Å; W336-P347 HydrophobicContact CG-CG 4.25Å; W336-P347 HydrophobicContact CZ2-CB 4.07Å; W336-P347 HydrophobicContact CZ2-CG 4.26Å
348I97.4Very high97.1Very high45 Ų4553.7 Ų53.723%0.23128%0.283CS..  trans-129.3119.2173.9-58.3171.9000107.8M331 W336 L346 D350 L353 I354M331-I348 HydrophobicContact CE-CD1 3.56Å; M331-I348 HydrophobicContact SD-CD1 4.45Å; W336-I348 HydrophobicContact CH2-CB 4.03Å; W336-I348 HydrophobicContact CH2-CG1 4.47Å; W336-I348 HydrophobicContact CZ2-CB 4.35Å; W336-I348 HydrophobicContact CZ2-CD1 4.28Å; W336-I348 HydrophobicContact CZ2-CG1 4.29Å; L346-I348 PolarHBondContact O-N 3.05Å; I348-D350 WeakPolarHBondContact CG2-O 3.38Å; I348-L353 HydrophobicContact CG2-CB 3.75Å; I348-L353 HydrophobicContact CG2-CD1 4.42Å; I348-I354 HydrophobicContact CB-CG1 4.46Å; I348-I354 HydrophobicContact CG2-CD1 4.41Å; I348-I354 HydrophobicContact CG2-CG1 3.8Å
349R95.9Very high97.1Very high139 Ų13954.2 Ų54.253%0.52529%0.285SS..  trans-102.9-30179.5-60.2174.4-156.4135.26.5112.7N244 V246 L346 Q351N244-R349 HydrophobicContact CB-CG 4.45Å; V246-R349 WeakPolarHBondContact CG1-O 3.38Å; L346-R349 HydrophobicContact CB-CG 4.02Å; R349-Q351 PolarHBondContact O-N 3.29Å
350D96.6Very high97.1Very high86 Ų8650.4 Ų50.446%0.4627%0.271SS..  trans-79.4111.4177.2-175.3-13.7000109.5I348 S352 L353I348-D350 WeakPolarHBondContact CG2-O 3.38Å; D350-S352 PolarHBondContact O-N 2.83Å; D350-S352 VanDerWaalsContact O-N 3.1Å; D350-S352 VanDerWaalsContact OD1-CB 3.32Å; D350-S352 WeakPolarHBondContact OD1-CB 3.39Å; D350-S352 PolarHBondContact OD1-N 2.85Å; D350-S352 PolarHBondContact OD1-OG 2.84Å; D350-S352 PolarHBondContact OD2-OG 3.13Å; D350-S352 VanDerWaalsContact OD2-OG 3.11Å; D350-L353 HydrophobicContact CB-CD1 4.03Å; D350-L353 HydrophobicContact CB-CG 4.06Å; D350-L353 PolarHBondContact O-N 2.8Å
351Q96.8Very high97.2Very high56 Ų5650.2 Ų50.226%0.26227%0.27SS..G310 helixtrans-54.6-28.3179.1-174.561.767.100112.7H247 R349 L353 I354H247-Q351 PolarHBondContact CD2-OE1 3.36Å; H247-Q351 PolarHBondContact O-NE2 3.1Å; H247-Q351 PolarHBondContact O-OE1 2.95Å; R349-Q351 PolarHBondContact O-N 3.29Å; Q351-L353 VanDerWaalsContact C-N 3.26Å; Q351-L353 PolarHBondContact O-N 2.66Å; Q351-I354 PolarHBondContact O-N 2.74Å
352S95.8Very high97.3Very high84 Ų8449.2 Ų49.259%0.58726%0.262SS*.G310 helixtrans-70.8-19.5-179.773.10000113.8D350D350-S352 PolarHBondContact O-N 2.83Å; D350-S352 VanDerWaalsContact O-N 3.1Å; D350-S352 VanDerWaalsContact OD1-CB 3.32Å; D350-S352 WeakPolarHBondContact OD1-CB 3.39Å; D350-S352 PolarHBondContact OD1-N 2.85Å; D350-S352 PolarHBondContact OD1-OG 2.84Å; D350-S352 PolarHBondContact OD2-OG 3.13Å; D350-S352 VanDerWaalsContact OD2-OG 3.11Å
353L97.5Very high97.4Very high111 Ų11148.7 Ų48.758%0.58126%0.258SS*.G310 helixtrans-84.9-12.1177.1-60.6179.9000112.8I348 D350 Q351 I355I348-L353 HydrophobicContact CG2-CB 3.75Å; I348-L353 HydrophobicContact CG2-CD1 4.42Å; D350-L353 HydrophobicContact CB-CD1 4.03Å; D350-L353 HydrophobicContact CB-CG 4.06Å; D350-L353 PolarHBondContact O-N 2.8Å; Q351-L353 VanDerWaalsContact C-N 3.26Å; Q351-L353 PolarHBondContact O-N 2.66Å; L353-I355 PolarHBondContact O-N 3.49Å
354I97.8Very high97.5Very high7 Ų749 Ų494%0.03626%0.255CS..  trans-87.1104.1177.2-53.3-177000108.2V246 L248 F249 T329 M331 I348 Q351V246-I354 HydrophobicContact CB-CD1 3.65Å; V246-I354 HydrophobicContact CG1-CD1 4.06Å; V246-I354 HydrophobicContact CG2-CD1 3.8Å; L248-I354 HydrophobicContact CD2-CG2 4.08Å; F249-I354 HydrophobicContact CD2-CG2 4.42Å; F249-I354 HydrophobicContact CE2-CG2 4.05Å; F249-I354 WeakPolarHBondContact CE2-O 3.47Å; T329-I354 HydrophobicContact CG2-CG2 4.49Å; M331-I354 HydrophobicContact CE-CB 4.3Å; M331-I354 HydrophobicContact CE-CG1 4.16Å; M331-I354 HydrophobicContact CE-CG2 3.87Å; I348-I354 HydrophobicContact CB-CG1 4.46Å; I348-I354 HydrophobicContact CG2-CD1 4.41Å; I348-I354 HydrophobicContact CG2-CG1 3.8Å; Q351-I354 PolarHBondContact O-N 2.74Å
355I97.5Very high97.6Very high93 Ų9345.7 Ų45.748%0.47724%0.24SC..  trans-114.1124.3-173.9-56.7178.1000109.8L353 R357L353-I355 PolarHBondContact O-N 3.49Å; I355-R357 HydrophobicContact CG2-CG 4.33Å
356A97.2Very high97.6Very high30 Ų3044 Ų4425%0.24823%0.228CC..  trans-78134.8166.900000110.5F249 I328F249-A356 HydrophobicContact CD1-CB 3.86Å; F249-A356 HydrophobicContact CD2-CB 3.77Å; F249-A356 HydrophobicContact CE1-CB 3.72Å; F249-A356 HydrophobicContact CE2-CB 3.62Å; F249-A356 HydrophobicContact CG-CB 3.9Å; F249-A356 HydrophobicContact CZ-CB 3.61Å; I328-A356 HydrophobicContact CB-CB 4.43Å; I328-A356 HydrophobicContact CD1-CB 4.01Å; I328-A356 HydrophobicContact CG1-CB 4.42Å; I328-A356 CarbonylContact O-C 3.51Å; I328-A356 WeakPolarHBondContact O-CA 3.14Å
357R97.4Very high97.6Very high150 Ų15044 Ų4457%0.56623%0.228SC*.  trans-126.4129.3176.9-61.5179.8-176.6-122.72.3109.8I328 I355 W421I328-R357 PolarHBondContact O-N 3.03Å; I355-R357 HydrophobicContact CG2-CG 4.33Å; R357-W421 PolarHBondContact O-NE1 3.19Å
358G97.9Very high97.5Very high28 Ų2841.5 Ų41.529%0.28921%0.211SC..SBendtrans65.2-155.6179.900000112.8D422 I423G358-D422 CarbonylContact C-O 3.56Å; G358-D422 WeakPolarHBondContact CA-O 3.1Å; G358-I423 WeakPolarHBondContact CA-O 3.38Å
359H98.6Very high97.3Very high13 Ų1341.2 Ų41.26%0.0621%0.21CC..EExtended strand (participates in β ladder)trans-138.5147.3-178.8-15497.7000109.8E265 A266 P267 F361 W421 D422 R425 A428E265-H359 IonicContact OE2-CD2 2.72Å; E265-H359 IonicContact OE2-CE1 3.79Å; E265-H359 PolarHBondContact OE2-CE1 2.67Å; E265-H359 IonicContact OE2-NE2 2.76Å; E265-H359 PolarHBondContact OE2-NE2 3.17Å; A266-H359 CarbonylContact O-C 3.51Å; P267-H359 PolarHBondContact O-CE1 2.69Å; H359-F361 AromaticContact CD2-CD2 3.97Å; H359-F361 AromaticContact CD2-CE2 3.64Å; H359-F361 AromaticContact NE2-CE2 3.95Å; H359-W421 VanDerWaalsContact O-CA 3.3Å; H359-W421 WeakPolarHBondContact O-CA 3.09Å; H359-W421 VanDerWaalsContact O-CD1 3.23Å; H359-D422 PolarHBondContact N-O 2.88Å; H359-D422 PolarHBondContact O-N 3.22Å; H359-R425 HydrophobicContact CB-CB 4.23Å; H359-A428 HydrophobicContact CB-CB 4.24Å; H359-A428 WeakPolarHBondContact O-CB 3.46Å
360S98.8Very high97.2Very high0 Ų035 Ų350%019%0.188CC..EExtended strand (participates in β ladder)trans-130.7140.7176.9-165.30000111.4E265 A266 M327 I419 A420E265-S360 CarbonylContact C-O 3.59Å; E265-S360 WeakPolarHBondContact CA-O 3.32Å; E265-S360 WeakPolarHBondContact CB-O 3.36Å; A266-S360 PolarHBondContact N-O 3.37Å; A266-S360 PolarHBondContact O-N 2.79Å; M327-S360 WeakPolarHBondContact CB-OG 3.46Å; S360-I419 WeakPolarHBondContact OG-CG2 3.26Å; S360-A420 CarbonylContact C-O 3.48Å; S360-A420 WeakPolarHBondContact CA-O 3.44Å; S360-A420 WeakPolarHBondContact CB-O 3.45Å; S360-A420 PolarHBondContact OG-O 3.33Å
361F98.8Very high96.8Very high0 Ų035.6 Ų35.60%019%0.191CC..EExtended strand (participates in β ladder)trans-116147.5165.7-76.1-92000109.7I263 E264 E265 H359 I419 A420 R425 A428 L429 L432I263-F361 HydrophobicContact CG2-CD1 3.89Å; E264-F361 CarbonylContact O-C 3.49Å; E264-F361 VanDerWaalsContact O-CA 3.32Å; E264-F361 WeakPolarHBondContact O-CA 3.43Å; E265-F361 HydrophobicContact CB-CD1 3.59Å; E265-F361 HydrophobicContact CB-CE1 3.6Å; E265-F361 HydrophobicContact CB-CG 4.14Å; E265-F361 HydrophobicContact CB-CZ 4.15Å; E265-F361 HydrophobicContact CG-CD1 4.48Å; E265-F361 HydrophobicContact CG-CE1 4.06Å; E265-F361 VanDerWaalsContact OE2-CZ 3.31Å; E265-F361 WeakPolarHBondContact OE2-CZ 3.22Å; H359-F361 AromaticContact CD2-CD2 3.97Å; H359-F361 AromaticContact CD2-CE2 3.64Å; H359-F361 AromaticContact NE2-CE2 3.95Å; F361-I419 CarbonylContact O-C 3.58Å; F361-I419 WeakPolarHBondContact O-CA 3.14Å; F361-A420 PolarHBondContact N-O 3.47Å; F361-A420 PolarHBondContact O-N 2.91Å; F361-R425 HydrophobicContact CE2-CG 3.66Å; F361-R425 WeakPolarHBondContact CE2-O 3.46Å; F361-R425 HydrophobicContact CZ-CG 3.75Å; F361-A428 HydrophobicContact CD2-CB 3.92Å; F361-A428 HydrophobicContact CE2-CB 4.36Å; F361-L429 HydrophobicContact CD1-CD1 4.34Å; F361-L429 HydrophobicContact CD2-CB 4.08Å; F361-L429 HydrophobicContact CE1-CD1 4.21Å; F361-L429 HydrophobicContact CE2-CB 3.71Å; F361-L429 HydrophobicContact CE2-CD1 4.46Å; F361-L429 HydrophobicContact CZ-CB 4.14Å; F361-L429 HydrophobicContact CZ-CD1 4.27Å; F361-L432 HydrophobicContact CB-CB 4.36Å; F361-L432 HydrophobicContact CB-CD2 3.67Å; F361-L432 HydrophobicContact CG-CD2 4.41Å
362E98.8Very high96.4Very high0 Ų037.5 Ų37.50%020%0.2CC..EExtended strand (participates in β ladder)trans-124.4142.5168.6171173.3130.300109.3I263 E264 E321 P323 V324 K417 I418 I419I263-E362 VanDerWaalsContact CA-O 3.27Å; I263-E362 WeakPolarHBondContact CA-O 3.22Å; E264-E362 PolarHBondContact N-O 2.71Å; E264-E362 PolarHBondContact O-N 3.3Å; E321-E362 WeakPolarHBondContact CA-OE1 3.32Å; P323-E362 WeakPolarHBondContact CB-OE2 3.44Å; P323-E362 WeakPolarHBondContact CD-OE2 3.38Å; P323-E362 WeakPolarHBondContact CG-OE2 3.17Å; V324-E362 HydrophobicContact CG1-CB 3.33Å; E362-K417 HydrophobicContact CG-CB 4.15Å; E362-K417 WeakPolarHBondContact OE1-CD 3.4Å; E362-I418 CarbonylContact C-O 3.59Å; E362-I418 WeakPolarHBondContact CA-O 3.44Å; E362-I419 HydrophobicContact CB-CG1 3.97Å; E362-I419 HydrophobicContact CG-CG1 3.86Å; E362-I419 WeakPolarHBondContact OE2-CG1 3.41Å
363A98.7Very high96.1Very high1 Ų137.6 Ų37.61%0.00819%0.194CC..EExtended strand (participates in β ladder)trans-122.6134.5169.200000110.3L262 I263 K417 I418 L432 L451L262-A363 WeakPolarHBondContact O-CA 3.34Å; I263-A363 HydrophobicContact CG1-CB 4.37Å; A363-K417 WeakPolarHBondContact O-CA 3.31Å; A363-I418 PolarHBondContact N-O 2.68Å; A363-I418 PolarHBondContact O-N 2.92Å; A363-L432 HydrophobicContact CB-CD1 3.89Å; A363-L432 HydrophobicContact CB-CD2 4.11Å; A363-L432 HydrophobicContact CB-CG 4.47Å; A363-L451 HydrophobicContact CB-CD1 4.11Å; A363-L451 HydrophobicContact CB-CD2 4.25Å
364R98.6Very high95.8Very high20 Ų2032.4 Ų32.48%0.07517%0.166CC..EExtended strand (participates in β ladder)trans-88.5110.3174.5-62-164.2-163.3-169.31.2111.1K261 L262 E264 E321 Y366 L414 N447K261-R364 WeakPolarHBondContact O-CD 3.5Å; L262-R364 PolarHBondContact O-N 2.65Å; E264-R364 IonicContact OE1-CZ 3.52Å; E264-R364 IonicContact OE1-NE 2.93Å; E264-R364 PolarHBondContact OE1-NE 2.89Å; E264-R364 IonicContact OE1-NH2 3.56Å; E264-R364 PolarHBondContact OE1-NH2 2.82Å; E321-R364 IonicContact OE1-NH2 3.77Å; E321-R364 IonicContact OE2-CZ 2.79Å; E321-R364 IonicContact OE2-NH2 3.61Å; E321-R364 PolarHBondContact OE2-NH2 2.87Å; R364-Y366 HydrophobicContact CB-CD2 4.04Å; R364-Y366 HydrophobicContact CB-CE2 3.53Å; R364-Y366 VanDerWaalsContact CD-OH 3.31Å; R364-Y366 WeakPolarHBondContact CD-OH 3.33Å; R364-Y366 HydrophobicContact CG-CE2 4.43Å; R364-Y366 PolarHBondContact O-N 3.5Å; R364-L414 HydrophobicContact CB-CD1 3.78Å; R364-L414 HydrophobicContact CG-CD1 4.27Å; R364-N447 PolarHBondContact O-ND2 2.66Å
365L98.2Very high95.4Very high0 Ų032.8 Ų32.80%017%0.17CC..EExtended strand (participates in β ladder)trans-82.5109.4176.1-177.567.7000109.4F384 I415 G416 L439 L441 M448L365-F384 HydrophobicContact CD2-CE2 4.36Å; L365-I415 HydrophobicContact CD2-CB 4.14Å; L365-I415 HydrophobicContact CD2-CD1 4.44Å; L365-I415 HydrophobicContact CD2-CG2 4.15Å; L365-I415 HydrophobicContact CG-CB 4.14Å; L365-I415 HydrophobicContact CG-CD1 4.22Å; L365-I415 HydrophobicContact CG-CG1 4.49Å; L365-I415 WeakPolarHBondContact O-CB 3.28Å; L365-I415 PolarHBondContact O-N 3.01Å; L365-G416 WeakPolarHBondContact CB-O 3.34Å; L365-G416 PolarHBondContact N-O 3.2Å; L365-G416 PolarHBondContact O-N 2.96Å; L365-L439 HydrophobicContact CD1-CD2 4.13Å; L365-L439 HydrophobicContact CD2-CD2 3.71Å; L365-L441 HydrophobicContact CD2-CD1 3.96Å; L365-M448 HydrophobicContact CD1-CB 3.83Å
366Y97.8Very high94.9Very high6 Ų628.6 Ų28.62%0.02415%0.149CC..EExtended strand (participates in β ladder)trans-106.8144.8-179.6-74.1-69.2000111.9Q260 L262 R364 E368 P413 L414 S446 N447Q260-Y366 HydrophobicContact CG-CE2 4.14Å; L262-Y366 HydrophobicContact CD2-CD2 3.76Å; L262-Y366 HydrophobicContact CD2-CE2 3.69Å; R364-Y366 HydrophobicContact CB-CD2 4.04Å; R364-Y366 HydrophobicContact CB-CE2 3.53Å; R364-Y366 VanDerWaalsContact CD-OH 3.31Å; R364-Y366 WeakPolarHBondContact CD-OH 3.33Å; R364-Y366 HydrophobicContact CG-CE2 4.43Å; R364-Y366 PolarHBondContact O-N 3.5Å; Y366-E368 PolarHBondContact O-N 3.48Å; Y366-P413 HydrophobicContact CD1-CB 3.96Å; Y366-P413 HydrophobicContact CD1-CG 3.68Å; Y366-P413 HydrophobicContact CE1-CG 4.15Å; Y366-L414 VanDerWaalsContact CD1-CA 3.47Å; Y366-L414 HydrophobicContact CD1-CB 3.96Å; Y366-L414 HydrophobicContact CD1-CD1 4.13Å; Y366-L414 HydrophobicContact CE1-CB 3.65Å; Y366-L414 HydrophobicContact CE1-CD1 3.82Å; Y366-L414 HydrophobicContact CE1-CG 4.34Å; Y366-S446 VanDerWaalsContact O-CA 3.27Å; Y366-S446 WeakPolarHBondContact O-CA 3.39Å; Y366-N447 PolarHBondContact N-OD1 3.17Å; Y366-N447 PolarHBondContact O-N 2.87Å; Y366-N447 VanDerWaalsContact O-N 3.1Å; Y366-N447 PolarHBondContact O-OD1 2.95Å
367A97.3Very high94.8Very high0 Ų028.4 Ų28.40%015%0.146CC..SBendtrans-77.661.8166.500000110.6S377 I407 P413 I415 G445 M668A367-S377 PolarHBondContact O-N 2.86Å; A367-I407 HydrophobicContact CB-CD1 3.76Å; A367-I407 HydrophobicContact CB-CG2 4.29Å; A367-P413 HydrophobicContact CB-CB 4.4Å; A367-P413 WeakPolarHBondContact CB-O 3.33Å; A367-P413 PolarHBondContact N-O 3.44Å; A367-I415 HydrophobicContact CB-CD1 4.01Å; A367-I415 HydrophobicContact CB-CG1 4.02Å; A367-G445 CarbonylContact C-O 3.5Å; A367-G445 WeakPolarHBondContact CA-O 3.31Å; A367-M668 HydrophobicContact CB-CE 4.11Å
368E95Very high94.6Very high2 Ų222.4 Ų22.41%0.00913%0.127CC..EExtended strand (participates in β ladder)trans-130.1146.7179.9-69.7175.3167.100108.7R257 Q260 Y366 P370 F374 A375 P413 G445 S446 N447R257-E368 IonicContact NH2-OE1 3.15Å; R257-E368 PolarHBondContact NH2-OE1 2.97Å; R257-E368 IonicContact NH2-OE2 2.65Å; R257-E368 PolarHBondContact NH2-OE2 2.8Å; Q260-E368 PolarHBondContact NE2-OE1 3.12Å; Y366-E368 PolarHBondContact O-N 3.48Å; E368-P370 WeakPolarHBondContact O-CD 3.39Å; E368-F374 HydrophobicContact CB-CB 4.15Å; E368-F374 HydrophobicContact CB-CD1 4.19Å; E368-F374 WeakPolarHBondContact OE2-CD1 3.17Å; E368-A375 CarbonylContact C-O 3.57Å; E368-A375 WeakPolarHBondContact CA-O 3.33Å; E368-P413 HydrophobicContact CG-CB 4.06Å; E368-P413 HydrophobicContact CG-CG 4.13Å; E368-P413 WeakPolarHBondContact OE1-CG 3.3Å; E368-G445 PolarHBondContact N-O 2.84Å; E368-G445 CarbonylContact O-C 3.48Å; E368-S446 CarbonylContact O-C 3.53Å; E368-S446 WeakPolarHBondContact O-CA 3.42Å; E368-S446 PolarHBondContact O-N 3.1Å; E368-N447 PolarHBondContact O-N 2.95Å
369N92.2Very high94.3Very high39 Ų3922 Ų2221%0.20912%0.123CC..EExtended strand (participates in β ladder)trans-105104.1177.8-176.50.6000111.6L371 E372 F374 A375N369-L371 PolarHBondContact O-N 2.83Å; N369-L371 PolarHBondContact OD1-N 3.26Å; N369-L371 VanDerWaalsContact OD1-N 3.14Å; N369-E372 HydrophobicContact CB-CB 4.37Å; N369-E372 CarbonylContact O-C 3.35Å; N369-E372 PolarHBondContact O-N 3.12Å; N369-F374 WeakPolarHBondContact O-CA 3.32Å; N369-F374 PolarHBondContact O-N 3.14Å; N369-A375 PolarHBondContact N-O 3.43Å; N369-A375 PolarHBondContact O-N 3.47Å
370P93Very high94.2Very high9 Ų927.4 Ų27.46%0.05814%0.143CC..G310 helixtrans-57.6-31.7-179.7-24.833.8000114.2E368 E372 D373 F374 N447 F450 L479E368-P370 WeakPolarHBondContact O-CD 3.39Å; P370-E372 PolarHBondContact O-N 2.83Å; P370-D373 PolarHBondContact O-N 2.78Å; P370-F374 HydrophobicContact CB-CD1 4.43Å; P370-F374 HydrophobicContact CB-CE1 4.13Å; P370-F374 HydrophobicContact CB-CE2 4.44Å; P370-F374 HydrophobicContact CB-CZ 4.14Å; P370-F374 HydrophobicContact CG-CD1 4.15Å; P370-F374 HydrophobicContact CG-CE1 3.87Å; P370-F374 HydrophobicContact CG-CZ 4.34Å; P370-N447 HydrophobicContact CG-CB 4.2Å; P370-F450 HydrophobicContact CB-CB 4Å; P370-F450 HydrophobicContact CB-CD2 4.09Å; P370-F450 HydrophobicContact CB-CG 4.34Å; P370-F450 HydrophobicContact CG-CB 3.56Å; P370-F450 HydrophobicContact CG-CG 4.25Å; P370-L479 HydrophobicContact CB-CD2 3.72Å; P370-L479 WeakPolarHBondContact O-CD2 3.42Å
371L89.2Confident94.1Very high99 Ų9927.4 Ų27.452%0.51814%0.143SC..G310 helixtrans-69.6-19.2178.3-65.2175.7000113.1N369 L479 Q481N369-L371 PolarHBondContact O-N 2.83Å; N369-L371 PolarHBondContact OD1-N 3.26Å; N369-L371 VanDerWaalsContact OD1-N 3.14Å; L371-L479 HydrophobicContact CD2-CD2 4.42Å; L371-Q481 HydrophobicContact CD2-CG 4.26Å
372E88.2Confident94Very high95 Ų9528 Ų2844%0.44415%0.146SC..G310 helixtrans-110.141.4174-65.1-174.7-176.600110N369 P370 F374 A375 K695N369-E372 HydrophobicContact CB-CB 4.37Å; N369-E372 CarbonylContact O-C 3.35Å; N369-E372 PolarHBondContact O-N 3.12Å; P370-E372 PolarHBondContact O-N 2.83Å; E372-F374 VanDerWaalsContact C-N 3.27Å; E372-F374 PolarHBondContact O-N 3.3Å; E372-A375 HydrophobicContact CB-CB 3.83Å; E372-A375 VanDerWaalsContact O-CB 3.29Å; E372-A375 WeakPolarHBondContact O-CB 3.06Å; E372-A375 PolarHBondContact O-N 2.81Å; E372-K695 IonicContact OE1-NZ 3.74Å; E372-K695 PolarHBondContact OE1-NZ 3Å; E372-K695 IonicContact OE2-NZ 3.65Å; E372-K695 PolarHBondContact OE2-NZ 2.66Å
373D88.8Confident93.9Very high87 Ų8728.2 Ų28.247%0.46515%0.147SC..THydrogen-bonded Turntrans52.941.1-178.5-171.144.5000113.7R258 P370 A375R258-D373 IonicContact CZ-OD1 3.96Å; R258-D373 IonicContact CZ-OD2 2.74Å; R258-D373 IonicContact NH1-OD2 2.63Å; R258-D373 PolarHBondContact NH2-O 2.98Å; R258-D373 IonicContact NH2-OD1 3.9Å; R258-D373 PolarHBondContact NH2-OD1 2.8Å; R258-D373 IonicContact NH2-OD2 3.57Å; R258-D373 PolarHBondContact NH2-OD2 2.84Å; P370-D373 PolarHBondContact O-N 2.78Å; D373-A375 VanDerWaalsContact C-N 3.29Å; D373-A375 PolarHBondContact O-N 3.14Å
374F91.5Very high93.8Very high1 Ų128.6 Ų28.60%0.00415%0.149CC..THydrogen-bonded Turntrans58.735.9-174.9-62.2-97.9000113.5R257 E368 N369 P370 E372 N447 F450 F475R257-F374 HydrophobicContact CG-CE2 4.34Å; R257-F374 VanDerWaalsContact CZ-CB 3.5Å; R257-F374 VanDerWaalsContact NH1-CB 3.27Å; E368-F374 HydrophobicContact CB-CB 4.15Å; E368-F374 HydrophobicContact CB-CD1 4.19Å; E368-F374 WeakPolarHBondContact OE2-CD1 3.17Å; N369-F374 WeakPolarHBondContact O-CA 3.32Å; N369-F374 PolarHBondContact O-N 3.14Å; P370-F374 HydrophobicContact CB-CD1 4.43Å; P370-F374 HydrophobicContact CB-CE1 4.13Å; P370-F374 HydrophobicContact CB-CE2 4.44Å; P370-F374 HydrophobicContact CB-CZ 4.14Å; P370-F374 HydrophobicContact CG-CD1 4.15Å; P370-F374 HydrophobicContact CG-CE1 3.87Å; P370-F374 HydrophobicContact CG-CZ 4.34Å; E372-F374 VanDerWaalsContact C-N 3.27Å; E372-F374 PolarHBondContact O-N 3.3Å; F374-N447 HydrophobicContact CE1-CB 4.26Å; F374-F450 HydrophobicContact CE1-CD1 4.2Å; F374-F450 HydrophobicContact CE1-CG 4.22Å; F374-F450 HydrophobicContact CE2-CE2 4.31Å; F374-F450 AromaticContact CZ-CD1 3.9Å; F374-F450 HydrophobicContact CZ-CD1 3.9Å; F374-F450 AromaticContact CZ-CD2 3.78Å; F374-F450 HydrophobicContact CZ-CD2 3.78Å; F374-F450 AromaticContact CZ-CE1 3.9Å; F374-F450 HydrophobicContact CZ-CE1 3.9Å; F374-F450 AromaticContact CZ-CE2 3.75Å; F374-F450 HydrophobicContact CZ-CE2 3.75Å; F374-F450 AromaticContact CZ-CG 3.86Å; F374-F450 HydrophobicContact CZ-CG 3.86Å; F374-F450 AromaticContact CZ-CZ 3.83Å; F374-F450 HydrophobicContact CZ-CZ 3.83Å; F374-F475 HydrophobicContact CD2-CE2 4.12Å; F374-F475 HydrophobicContact CD2-CZ 4.43Å; F374-F475 HydrophobicContact CE2-CD2 4.18Å; F374-F475 AromaticContact CE2-CE2 3.38Å; F374-F475 HydrophobicContact CE2-CE2 3.38Å; F374-F475 HydrophobicContact CE2-CZ 4.1Å; F374-F475 HydrophobicContact CZ-CE2 4.21Å
375A89.3Confident93.7Very high15 Ų1528.7 Ų28.712%0.12415%0.151CC..EExtended strand (participates in β ladder)trans-52.9132170.900000110.5E368 N369 E372 D373E368-A375 CarbonylContact C-O 3.57Å; E368-A375 WeakPolarHBondContact CA-O 3.33Å; N369-A375 PolarHBondContact N-O 3.43Å; N369-A375 PolarHBondContact O-N 3.47Å; E372-A375 HydrophobicContact CB-CB 3.83Å; E372-A375 VanDerWaalsContact O-CB 3.29Å; E372-A375 WeakPolarHBondContact O-CB 3.06Å; E372-A375 PolarHBondContact O-N 2.81Å; D373-A375 VanDerWaalsContact C-N 3.29Å; D373-A375 PolarHBondContact O-N 3.14Å
376P88.8Confident93.5Very high5 Ų529.9 Ų29.93%0.03216%0.157CC..EExtended strand (participates in β ladder)trans-55140.8174.3-2936.5000112.3A667 M668 M670P376-A667 HydrophobicContact CB-CB 4.03Å; P376-A667 HydrophobicContact CG-CB 4.18Å; P376-M668 HydrophobicContact CB-CB 4.04Å; P376-M668 HydrophobicContact CB-CG 4.06Å; P376-M668 HydrophobicContact CB-SD 3.61Å; P376-M668 HydrophobicContact CG-CB 4.37Å; P376-M670 HydrophobicContact CG-CB 4.21Å; P376-M670 HydrophobicContact CG-CE 3.91Å; P376-M670 HydrophobicContact CG-CG 4.39Å; P376-M670 HydrophobicContact CG-SD 3.83Å
377S93.3Very high93.2Very high27 Ų2732.4 Ų32.419%0.18918%0.176CC..  trans-130.268.5-179.1-157.70000111.9A367 V444 G445A367-S377 PolarHBondContact O-N 2.86Å; S377-V444 WeakPolarHBondContact O-CB 3.49Å; S377-V444 WeakPolarHBondContact O-CG1 3.2Å; S377-G445 PolarHBondContact OG-N 3.35Å
378P93.4Very high92.9Very high23 Ų2334.7 Ų34.715%0.14919%0.192CC..  trans-58.7155.8165.328-37000111I407 P642 M668P378-I407 VanDerWaalsContact CA-O 3.31Å; P378-I407 WeakPolarHBondContact CA-O 3.44Å; P378-I407 WeakPolarHBondContact CB-O 3.29Å; P378-P642 HydrophobicContact CG-CB 3.74Å; P378-P642 HydrophobicContact CG-CG 3.39Å; P378-M668 HydrophobicContact CB-CE 3.76Å; P378-M668 HydrophobicContact CG-CE 4.45Å
379G92.9Very high92.9Very high21 Ų2134.7 Ų34.722%0.21619%0.192CC..EExtended strand (participates in β ladder)trans146.8-177.5179.800000112.5I407G379-I407 PolarHBondContact N-O 3.27Å; G379-I407 PolarHBondContact O-N 2.84Å
380R95Very high92.7Very high126 Ų12638.1 Ų38.148%0.47521%0.207SC..EExtended strand (participates in β ladder)trans-78.8134.9179.1-170.3175-64.1-87.14.9110.4V382 G404 G443R380-V382 HydrophobicContact CB-CG2 4.48Å; R380-V382 PolarHBondContact O-N 3.47Å; R380-G404 PolarHBondContact NH1-O 3.32Å; R380-G443 CarbonylContact O-C 3.6Å; R380-G443 WeakPolarHBondContact O-CA 3.47Å
381L96.7Very high92.5Very high0 Ų045.7 Ų45.70%025%0.247CC..  trans-72.883.7164.3-69.4174.3000108.7Y383 F384 Y401 G404 D405 I407 I415 L441 V444L381-Y383 VanDerWaalsContact C-N 3.35Å; L381-Y383 PolarHBondContact O-N 3.25Å; L381-F384 HydrophobicContact CB-CB 4.2Å; L381-F384 HydrophobicContact CD1-CD1 3.81Å; L381-F384 HydrophobicContact CD1-CE1 4.26Å; L381-F384 HydrophobicContact CD1-CG 4.32Å; L381-Y401 HydrophobicContact CD1-CG 4.33Å; L381-G404 WeakPolarHBondContact O-CA 3.32Å; L381-G404 PolarHBondContact O-N 2.9Å; L381-D405 PolarHBondContact N-O 3.45Å; L381-I407 HydrophobicContact CD1-CD1 4.34Å; L381-I407 HydrophobicContact CD1-CG1 4.44Å; L381-I407 HydrophobicContact CD2-CD1 3.97Å; L381-I407 HydrophobicContact CG-CD1 4.08Å; L381-I407 HydrophobicContact CG-CG1 4.24Å; L381-I415 HydrophobicContact CD1-CG2 4.37Å; L381-I415 HydrophobicContact CD2-CD1 4.45Å; L381-L441 HydrophobicContact CD2-CD1 4.05Å; L381-L441 HydrophobicContact CD2-CD2 4.44Å; L381-L441 HydrophobicContact CD2-CG 4.11Å; L381-V444 HydrophobicContact CD2-CG2 3.67Å
382V97.1Very high92.7Very high12 Ų1244.1 Ų44.17%0.07324%0.238CC..SBendtrans-60.5-46.4-175.1172.30000110.8R380 C442 T575 Y576 Y597R380-V382 HydrophobicContact CB-CG2 4.48Å; R380-V382 PolarHBondContact O-N 3.47Å; V382-C442 PolarHBondContact N-O 2.69Å; V382-C442 VanDerWaalsContact N-O 3.09Å; V382-T575 WeakPolarHBondContact CG1-O 3.34Å; V382-Y576 HydrophobicContact CG1-CD1 4.25Å; V382-Y576 HydrophobicContact CG1-CG 4.4Å; V382-Y576 WeakPolarHBondContact O-CD1 3.33Å; V382-Y576 WeakPolarHBondContact O-CE1 3.27Å; V382-Y597 HydrophobicContact CB-CD2 4.33Å; V382-Y597 HydrophobicContact CB-CG 4.39Å; V382-Y597 HydrophobicContact CG1-CD1 4.26Å; V382-Y597 HydrophobicContact CG1-CD2 4.09Å; V382-Y597 HydrophobicContact CG1-CG 3.74Å; V382-Y597 HydrophobicContact CG2-CD2 4.04Å; V382-Y597 HydrophobicContact CG2-CE2 4.43Å
383Y97.2Very high92.8Very high4 Ų444.7 Ų44.72%0.01625%0.253CS..EExtended strand (participates in β ladder)trans-135.2123.3172.9-169.4-92.4000108.6L381 D385 R440 L441 C442 Y576 A578 K580 V595L381-Y383 VanDerWaalsContact C-N 3.35Å; L381-Y383 PolarHBondContact O-N 3.25Å; Y383-D385 HydrophobicContact CD1-CB 4.3Å; Y383-D385 HydrophobicContact CE1-CB 3.5Å; Y383-D385 PolarHBondContact OH-OD2 3.1Å; Y383-D385 VanDerWaalsContact OH-OD2 3.05Å; Y383-R440 HydrophobicContact CD1-CB 4.08Å; Y383-R440 HydrophobicContact CE1-CB 3.78Å; Y383-R440 HydrophobicContact CE1-CG 4.48Å; Y383-L441 CarbonylContact O-C 3.53Å; Y383-L441 VanDerWaalsContact O-CA 3.3Å; Y383-L441 WeakPolarHBondContact O-CA 3.5Å; Y383-C442 PolarHBondContact N-O 3.01Å; Y383-C442 PolarHBondContact O-N 2.75Å; Y383-Y576 HydrophobicContact CD2-CD1 4.47Å; Y383-Y576 AromaticContact CD2-CD2 3.92Å; Y383-Y576 HydrophobicContact CD2-CD2 3.92Å; Y383-Y576 HydrophobicContact CD2-CE1 4.24Å; Y383-Y576 AromaticContact CD2-CE2 3.69Å; Y383-Y576 HydrophobicContact CD2-CE2 3.69Å; Y383-Y576 HydrophobicContact CD2-CG 4.34Å; Y383-Y576 AromaticContact CD2-CZ 3.86Å; Y383-Y576 HydrophobicContact CE2-CD2 4.49Å; Y383-Y576 AromaticContact CE2-CE2 3.94Å; Y383-Y576 HydrophobicContact CE2-CE2 3.94Å; Y383-A578 HydrophobicContact CD2-CB 4.03Å; Y383-A578 HydrophobicContact CE2-CB 3.56Å; Y383-K580 WeakPolarHBondContact OH-CE 3.27Å; Y383-K580 PolarHBondContact OH-NZ 3.26Å; Y383-V595 HydrophobicContact CD1-CG2 3.77Å; Y383-V595 HydrophobicContact CD2-CG1 4.29Å; Y383-V595 HydrophobicContact CD2-CG2 4.11Å; Y383-V595 HydrophobicContact CE1-CG2 4.09Å; Y383-V595 HydrophobicContact CE2-CG2 4.4Å; Y383-V595 HydrophobicContact CG-CG1 4.08Å; Y383-V595 HydrophobicContact CG-CG2 3.79Å
384F97Very high93.2Very high10 Ų1041.7 Ų41.74%0.04424%0.237CC..EExtended strand (participates in β ladder)trans-144.591.6-178.3-177.6-142.4000109.5L365 L381 L386 M399 Q403 I415 L439 R440 L441L365-F384 HydrophobicContact CD2-CE2 4.36Å; L381-F384 HydrophobicContact CB-CB 4.2Å; L381-F384 HydrophobicContact CD1-CD1 3.81Å; L381-F384 HydrophobicContact CD1-CE1 4.26Å; L381-F384 HydrophobicContact CD1-CG 4.32Å; F384-L386 HydrophobicContact CE1-CD1 4.03Å; F384-L386 HydrophobicContact CE2-CD1 4.42Å; F384-L386 HydrophobicContact CE2-CD2 3.9Å; F384-L386 HydrophobicContact CE2-CG 4.16Å; F384-L386 HydrophobicContact CZ-CD1 3.86Å; F384-L386 HydrophobicContact CZ-CD2 4.04Å; F384-L386 HydrophobicContact CZ-CG 4.11Å; F384-M399 HydrophobicContact CZ-SD 3.95Å; F384-Q403 HydrophobicContact CB-CB 4.12Å; F384-I415 HydrophobicContact CE1-CG2 4.37Å; F384-I415 HydrophobicContact CZ-CG2 4.1Å; F384-L439 HydrophobicContact CD2-CD1 4.4Å; F384-L439 HydrophobicContact CE2-CD1 3.9Å; F384-R440 CarbonylContact C-O 3.57Å; F384-R440 WeakPolarHBondContact CA-O 3.36Å; F384-L441 HydrophobicContact CD2-CB 4.12Å; F384-L441 HydrophobicContact CD2-CD1 3.84Å; F384-L441 HydrophobicContact CD2-CG 4.13Å; F384-L441 HydrophobicContact CE2-CD1 3.85Å
385D95.2Very high93.5Very high22 Ų2242.4 Ų42.412%0.11824%0.24CC..EExtended strand (participates in β ladder)trans-108.4115.7-172.2-177.44.8000110.5Y383 S387 R440 K580Y383-D385 HydrophobicContact CD1-CB 4.3Å; Y383-D385 HydrophobicContact CE1-CB 3.5Å; Y383-D385 PolarHBondContact OH-OD2 3.1Å; Y383-D385 VanDerWaalsContact OH-OD2 3.05Å; D385-S387 WeakPolarHBondContact OD1-CB 3.39Å; D385-S387 PolarHBondContact OD1-N 3.35Å; D385-S387 PolarHBondContact OD1-OG 3.11Å; D385-R440 HydrophobicContact CB-CB 4.09Å; D385-R440 HydrophobicContact CB-CG 4.48Å; D385-R440 PolarHBondContact N-O 3.32Å; D385-R440 PolarHBondContact O-N 2.78Å; D385-K580 IonicContact OD2-NZ 2.86Å; D385-K580 PolarHBondContact OD2-NZ 3.19Å
386L94.6Very high93.9Very high24 Ų2444.2 Ų44.213%0.12624%0.244CC..  trans-106.5-1.2177.4-63.3171.1000112.6F384 S388 L389 E390 L397 M399 L439F384-L386 HydrophobicContact CE1-CD1 4.03Å; F384-L386 HydrophobicContact CE2-CD1 4.42Å; F384-L386 HydrophobicContact CE2-CD2 3.9Å; F384-L386 HydrophobicContact CE2-CG 4.16Å; F384-L386 HydrophobicContact CZ-CD1 3.86Å; F384-L386 HydrophobicContact CZ-CD2 4.04Å; F384-L386 HydrophobicContact CZ-CG 4.11Å; L386-S388 PolarHBondContact O-N 2.9Å; L386-S388 VanDerWaalsContact O-N 3.1Å; L386-L389 HydrophobicContact CD2-CD1 4.36Å; L386-L389 WeakPolarHBondContact O-CA 3.03Å; L386-L389 WeakPolarHBondContact O-CB 3.36Å; L386-L389 PolarHBondContact O-N 2.69Å; L386-E390 PolarHBondContact O-N 3.34Å; L386-L397 HydrophobicContact CB-CD1 4.2Å; L386-L397 HydrophobicContact CD1-CD1 4.34Å; L386-L397 HydrophobicContact CD2-CD1 4.2Å; L386-L397 HydrophobicContact CG-CD1 4.5Å; L386-M399 HydrophobicContact CD1-CE 4.44Å; L386-M399 HydrophobicContact CD1-CG 3.88Å; L386-M399 HydrophobicContact CD1-SD 4.49Å; L386-M399 HydrophobicContact CD2-CE 4.16Å; L386-L439 HydrophobicContact CD2-CD1 3.21Å; L386-L439 HydrophobicContact CG-CD1 4.38Å
387S92.6Very high94.4Very high60 Ų6045.9 Ų45.942%0.4225%0.252SS..THydrogen-bonded Turntrans-59.1-30.9-168.260.70000114D385 L389D385-S387 WeakPolarHBondContact OD1-CB 3.39Å; D385-S387 PolarHBondContact OD1-N 3.35Å; D385-S387 PolarHBondContact OD1-OG 3.11Å; S387-L389 PolarHBondContact O-N 2.95Å
388S90.6Very high94.6Very high48 Ų4845 Ų4534%0.33625%0.245SC..THydrogen-bonded Turntrans-71.8-15.1175.956.90000114.2L386 N438L386-S388 PolarHBondContact O-N 2.9Å; L386-S388 VanDerWaalsContact O-N 3.1Å; S388-N438 PolarHBondContact OG-O 3.04Å
389L94.2Very high94.8Very high2 Ų244.4 Ų44.41%0.0124%0.24CC..THydrogen-bonded Turntrans-104.3-20.9-177.7-52.2-176000111.8L386 S387 L397 F434 A435 N438 L439L386-L389 HydrophobicContact CD2-CD1 4.36Å; L386-L389 WeakPolarHBondContact O-CA 3.03Å; L386-L389 WeakPolarHBondContact O-CB 3.36Å; L386-L389 PolarHBondContact O-N 2.69Å; S387-L389 PolarHBondContact O-N 2.95Å; L389-L397 HydrophobicContact CB-CD1 4.02Å; L389-L397 HydrophobicContact CD1-CD2 4.26Å; L389-F434 HydrophobicContact CD2-CE1 4.48Å; L389-A435 HydrophobicContact CD1-CB 4.36Å; L389-A435 HydrophobicContact CD2-CB 4.08Å; L389-N438 HydrophobicContact CD2-CB 4.05Å; L389-L439 HydrophobicContact CD1-CB 4.48Å; L389-L439 HydrophobicContact CD1-CD1 4.4Å
390E88.2Confident95Very high111 Ų11143.5 Ų43.552%0.51923%0.231SC..THydrogen-bonded Turntrans-60.9144.1175.2-69.3176.8-17900111.2L386 L392L386-E390 PolarHBondContact O-N 3.34Å; E390-L392 PolarHBondContact O-N 3.29Å
391N88.5Confident95.1Very high168 Ų16838 Ų3890%0.89821%0.211SC*.THydrogen-bonded Turntrans66.77.8179.7-49.4-63.7000116.4S393N391-S393 PolarHBondContact O-N 2.84Å
392L93.1Very high95Very high66 Ų6642.1 Ų42.135%0.34623%0.23SC..  trans-81.5109.1169.8-60.9-177.9000109.6E390 N394 I395 F434E390-L392 PolarHBondContact O-N 3.29Å; L392-N394 PolarHBondContact O-N 2.78Å; L392-I395 HydrophobicContact CB-CB 4.01Å; L392-I395 HydrophobicContact CB-CG1 4.07Å; L392-I395 HydrophobicContact CD1-CG1 4.02Å; L392-I395 PolarHBondContact O-N 2.78Å; L392-F434 HydrophobicContact CD1-CE1 3.98Å
393S91.5Very high95Very high107 Ų10744.8 Ų44.875%0.74824%0.242SC*.THydrogen-bonded Turntrans-57.3-21.6-176.261.10000115.2N391N391-S393 PolarHBondContact O-N 2.84Å
394N96.5Very high94.9Very high24 Ų2445.8 Ų45.813%0.12825%0.253CS..THydrogen-bonded Turntrans-102.4-1.1-175.8-71.321.6000112.6L392 A420 W421 R431L392-N394 PolarHBondContact O-N 2.78Å; N394-A420 WeakPolarHBondContact O-CA 3.41Å; N394-W421 VanDerWaalsContact CB-O 3.29Å; N394-W421 WeakPolarHBondContact CB-O 3.29Å; N394-W421 PolarHBondContact ND2-O 3.05Å; N394-W421 PolarHBondContact O-N 3.48Å; N394-R431 PolarHBondContact ND2-NE 3.47Å; N394-R431 PolarHBondContact ND2-NH1 3.25Å; N394-R431 PolarHBondContact ND2-NH2 3.33Å
395I98.2Very high94.9Very high15 Ų1546.2 Ų46.28%0.07726%0.256CS..EExtended strand (participates in β ladder)trans-118.6124.5173-57-61.2000107.9L392 L397 I418 I419 A420 R431 A435L392-I395 HydrophobicContact CB-CB 4.01Å; L392-I395 HydrophobicContact CB-CG1 4.07Å; L392-I395 HydrophobicContact CD1-CG1 4.02Å; L392-I395 PolarHBondContact O-N 2.78Å; I395-L397 HydrophobicContact CG2-CD2 3.97Å; I395-L397 HydrophobicContact CG2-CG 4.46Å; I395-I418 HydrophobicContact CG2-CG2 4.46Å; I395-I419 CarbonylContact C-O 3.55Å; I395-I419 WeakPolarHBondContact CA-O 3.28Å; I395-A420 HydrophobicContact CD1-CB 3.75Å; I395-R431 HydrophobicContact CD1-CB 3.95Å; I395-A435 HydrophobicContact CD1-CB 3.93Å; I395-A435 HydrophobicContact CG1-CB 4.42Å; I395-A435 HydrophobicContact CG2-CB 4.19Å
396R98Very high94.8Very high54 Ų5448.7 Ų48.720%0.20427%0.274CS..EExtended strand (participates in β ladder)trans-115.3137.9174.9171.9-177.6179177.6-2.4108.8E326 M327 E398 I419E326-R396 IonicContact OE2-CZ 3.29Å; E326-R396 IonicContact OE2-NH1 2.85Å; E326-R396 PolarHBondContact OE2-NH1 3.47Å; E326-R396 IonicContact OE2-NH2 3.73Å; E326-R396 PolarHBondContact OE2-NH2 3.44Å; M327-R396 HydrophobicContact SD-CB 4.26Å; R396-E398 IonicContact CZ-OE1 2.84Å; R396-E398 IonicContact NE-OE1 3.44Å; R396-E398 PolarHBondContact NE-OE1 2.8Å; R396-E398 IonicContact NH2-OE1 3.51Å; R396-E398 PolarHBondContact NH2-OE1 3.36Å; R396-I419 HydrophobicContact CB-CB 4.17Å; R396-I419 HydrophobicContact CG-CD1 4.25Å; R396-I419 PolarHBondContact N-O 3.43Å; R396-I419 WeakPolarHBondContact O-CD1 3.47Å; R396-I419 PolarHBondContact O-N 3.45Å
397L97.8Very high94.9Very high40 Ų4047.6 Ų47.621%0.20927%0.268CS..EExtended strand (participates in β ladder)trans-118.6122.2-178.9-55.5176000108.7L386 L389 I395 M399 I418L386-L397 HydrophobicContact CB-CD1 4.2Å; L386-L397 HydrophobicContact CD1-CD1 4.34Å; L386-L397 HydrophobicContact CD2-CD1 4.2Å; L386-L397 HydrophobicContact CG-CD1 4.5Å; L389-L397 HydrophobicContact CB-CD1 4.02Å; L389-L397 HydrophobicContact CD1-CD2 4.26Å; I395-L397 HydrophobicContact CG2-CD2 3.97Å; I395-L397 HydrophobicContact CG2-CG 4.46Å; L397-M399 HydrophobicContact CB-CE 3.91Å; L397-M399 HydrophobicContact CB-CG 4.31Å; L397-M399 HydrophobicContact CD2-CE 3.83Å; L397-M399 HydrophobicContact CG-CE 4.33Å; L397-I418 HydrophobicContact CD2-CB 4.47Å; L397-I418 HydrophobicContact CD2-CG1 4.07Å; L397-I418 HydrophobicContact CD2-CG2 4.17Å
398E97.8Very high94.9Very high7 Ų745.2 Ų45.23%0.03325%0.252CS..EExtended strand (participates in β ladder)trans-113.388.9173.6-65.4-68.7163.200108.1R40 R43 P323 R396 G416 K417 I419R40-E398 WeakPolarHBondContact CD-OE1 3.42Å; R40-E398 VanDerWaalsContact CD-OE2 3.23Å; R40-E398 WeakPolarHBondContact CD-OE2 3.19Å; R43-E398 IonicContact CZ-OE2 3.8Å; R43-E398 IonicContact NE-OE2 3.82Å; R43-E398 IonicContact NH2-OE2 2.63Å; R43-E398 PolarHBondContact NH2-OE2 3.4Å; P323-E398 HydrophobicContact CG-CG 4.37Å; R396-E398 IonicContact CZ-OE1 2.84Å; R396-E398 IonicContact NE-OE1 3.44Å; R396-E398 PolarHBondContact NE-OE1 2.8Å; R396-E398 IonicContact NH2-OE1 3.51Å; R396-E398 PolarHBondContact NH2-OE1 3.36Å; E398-G416 CarbonylContact O-C 3.6Å; E398-G416 WeakPolarHBondContact O-CA 3.3Å; E398-K417 HydrophobicContact CB-CB 4.21Å; E398-K417 PolarHBondContact N-O 2.87Å; E398-K417 PolarHBondContact O-N 2.83Å; E398-I419 HydrophobicContact CB-CD1 4.31Å; E398-I419 HydrophobicContact CG-CD1 3.84Å
399M97.4Very high94.9Very high11 Ų1143.4 Ų43.45%0.05424%0.239CC..EExtended strand (participates in β ladder)trans-102.1143.9-174.1-59.3-62.3163.100111.7F384 L386 L397 I418F384-M399 HydrophobicContact CZ-SD 3.95Å; L386-M399 HydrophobicContact CD1-CE 4.44Å; L386-M399 HydrophobicContact CD1-CG 3.88Å; L386-M399 HydrophobicContact CD1-SD 4.49Å; L386-M399 HydrophobicContact CD2-CE 4.16Å; L397-M399 HydrophobicContact CB-CE 3.91Å; L397-M399 HydrophobicContact CB-CG 4.31Å; L397-M399 HydrophobicContact CD2-CE 3.83Å; L397-M399 HydrophobicContact CG-CE 4.33Å; M399-I418 HydrophobicContact CE-CG1 3.9Å
400G97Very high94.8Very high2 Ų245.8 Ų45.82%0.02125%0.25CS..SBendtrans-104.4-5.2171.500000114.2M64 I415M64-G400 WeakPolarHBondContact CB-O 3.31Å; G400-I415 PolarHBondContact N-O 3.09Å
401Y97.6Very high95Very high11 Ų1140.7 Ų40.74%0.04323%0.226CC..  trans-139.6159.2-177.2-59.5-88.7000110.2R34 L381 D405 I407 I415R34-Y401 PolarHBondContact NH2-OH 3.09Å; L381-Y401 HydrophobicContact CD1-CG 4.33Å; Y401-D405 WeakPolarHBondContact CA-OD2 3.22Å; Y401-D405 HydrophobicContact CD1-CB 3.95Å; Y401-I407 HydrophobicContact CD1-CG1 4.13Å; Y401-I407 HydrophobicContact CE1-CB 4.41Å; Y401-I407 HydrophobicContact CE1-CG1 4.04Å; Y401-I407 HydrophobicContact CE2-CG1 4.44Å; Y401-I407 HydrophobicContact CG-CG1 4.39Å; Y401-I415 HydrophobicContact CD2-CG2 4.25Å
402Q95.8Very high95.2Very high86 Ų8634.9 Ų34.940%0.40220%0.195SC..  trans-127.3172.7169.467.1-174.629.100110.8G404 D405Q402-G404 PolarHBondContact O-N 2.97Å; Q402-D405 WeakPolarHBondContact CG-OD2 3.29Å; Q402-D405 PolarHBondContact N-OD2 2.6Å; Q402-D405 WeakPolarHBondContact O-CB 3.22Å; Q402-D405 PolarHBondContact O-N 2.87Å
403Q96Very high95.3Very high69 Ų6931.9 Ų31.932%0.32218%0.179SC..THydrogen-bonded Turntrans-53135.8174.8-176.8170.1-74.400111.2F384 D405 Y576F384-Q403 HydrophobicContact CB-CB 4.12Å; Q403-D405 VanDerWaalsContact C-N 3.27Å; Q403-D405 PolarHBondContact O-N 2.8Å; Q403-Y576 PolarHBondContact NE2-OH 3.38Å
404G95.1Very high95.6Very high25 Ų2527.6 Ų27.626%0.25815%0.148SC..THydrogen-bonded Turntrans85.5-15.8-17800000114.4R380 L381 Q402R380-G404 PolarHBondContact NH1-O 3.32Å; L381-G404 WeakPolarHBondContact O-CA 3.32Å; L381-G404 PolarHBondContact O-N 2.9Å; Q402-G404 PolarHBondContact O-N 2.97Å
405D96.3Very high95.6Very high18 Ų1826.5 Ų26.510%0.09614%0.142CC..  trans-65.1154.8174-72.9-16.6000111.2R67 L381 Y401 Q402 Q403R67-D405 IonicContact CZ-OD1 2.77Å; R67-D405 IonicContact NH1-OD1 3.64Å; R67-D405 IonicContact NH2-OD1 2.85Å; R67-D405 PolarHBondContact NH2-OD1 2.93Å; R67-D405 IonicContact NH2-OD2 3.92Å; R67-D405 PolarHBondContact NH2-OD2 2.83Å; R67-D405 VanDerWaalsContact NH2-OD2 3.14Å; L381-D405 PolarHBondContact N-O 3.45Å; Y401-D405 WeakPolarHBondContact CA-OD2 3.22Å; Y401-D405 HydrophobicContact CD1-CB 3.95Å; Q402-D405 WeakPolarHBondContact CG-OD2 3.29Å; Q402-D405 PolarHBondContact N-OD2 2.6Å; Q402-D405 WeakPolarHBondContact O-CB 3.22Å; Q402-D405 PolarHBondContact O-N 2.87Å; Q403-D405 VanDerWaalsContact C-N 3.27Å; Q403-D405 PolarHBondContact O-N 2.8Å
406C94.6Very high95.6Very high74 Ų7425.8 Ų25.850%0.514%0.138SC..EExtended strand (participates in β ladder)trans-105.6125.6176.1-167.30000110.5
407I95.7Very high95.6Very high1 Ų123.2 Ų23.21%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-84.2115173.8-51.2-179.6000108.3A367 P378 G379 L381 Y401 I415 V444 M668A367-I407 HydrophobicContact CB-CD1 3.76Å; A367-I407 HydrophobicContact CB-CG2 4.29Å; P378-I407 VanDerWaalsContact CA-O 3.31Å; P378-I407 WeakPolarHBondContact CA-O 3.44Å; P378-I407 WeakPolarHBondContact CB-O 3.29Å; G379-I407 PolarHBondContact N-O 3.27Å; G379-I407 PolarHBondContact O-N 2.84Å; L381-I407 HydrophobicContact CD1-CD1 4.34Å; L381-I407 HydrophobicContact CD1-CG1 4.44Å; L381-I407 HydrophobicContact CD2-CD1 3.97Å; L381-I407 HydrophobicContact CG-CD1 4.08Å; L381-I407 HydrophobicContact CG-CG1 4.24Å; Y401-I407 HydrophobicContact CD1-CG1 4.13Å; Y401-I407 HydrophobicContact CE1-CB 4.41Å; Y401-I407 HydrophobicContact CE1-CG1 4.04Å; Y401-I407 HydrophobicContact CE2-CG1 4.44Å; Y401-I407 HydrophobicContact CG-CG1 4.39Å; I407-I415 HydrophobicContact CD1-CD1 3.87Å; I407-I415 HydrophobicContact CD1-CG1 3.8Å; I407-V444 HydrophobicContact CD1-CG1 4.44Å; I407-V444 HydrophobicContact CD1-CG2 4.21Å; I407-M668 HydrophobicContact CB-CE 4.27Å; I407-M668 HydrophobicContact CG2-CE 3.25Å
408S92.9Very high95.7Very high11 Ų1121.3 Ų21.38%0.07712%0.119CC..  trans-76.4146.7-178.2-171.70000112.5T59 H410 M668T59-S408 PolarHBondContact OG1-OG 3.44Å; S408-H410 PolarHBondContact O-N 3.39Å; S408-H410 PolarHBondContact OG-CD2 3.1Å; S408-H410 VanDerWaalsContact OG-CD2 3.31Å; S408-H410 PolarHBondContact OG-N 3.4Å; S408-M668 WeakPolarHBondContact O-CE 3.4Å
409S91.6Very high95.7Very high10 Ų1021 Ų217%0.0712%0.117CC..THydrogen-bonded Turntrans-71.8-14.6171.654.30000113.3Y411 M668S409-Y411 VanDerWaalsContact C-N 3.32Å; S409-Y411 PolarHBondContact O-N 3Å; S409-M668 PolarHBondContact O-N 2.85Å
410H91Very high95.8Very high52 Ų5220.4 Ų20.424%0.24112%0.115CC..THydrogen-bonded Turntrans-73.5-17.7-176-72.7-84.8000114.4S78 S408 I644S78-H410 VanDerWaalsContact CB-CD2 3.4Å; S78-H410 WeakPolarHBondContact CB-CD2 3.36Å; S78-H410 VanDerWaalsContact CB-CE1 3.42Å; S78-H410 WeakPolarHBondContact CB-CE1 3.22Å; S78-H410 VanDerWaalsContact CB-NE2 3.29Å; S78-H410 WeakPolarHBondContact CB-NE2 3.23Å; S408-H410 PolarHBondContact O-N 3.39Å; S408-H410 PolarHBondContact OG-CD2 3.1Å; S408-H410 VanDerWaalsContact OG-CD2 3.31Å; S408-H410 PolarHBondContact OG-N 3.4Å; H410-I644 HydrophobicContact CB-CD1 4.35Å; H410-I644 WeakPolarHBondContact CE1-CD1 3.21Å; H410-I644 WeakPolarHBondContact ND1-CD1 3.3Å
411Y93.4Very high95.9Very high3 Ų322.9 Ų22.91%0.01212%0.123CC..SBendtrans-131.9176.2-168-54.1-56.2000113.4S57 T59 D60 S78 A80 Y84 F108 S409 M668S57-Y411 WeakPolarHBondContact CB-OH 3.39Å; S57-Y411 PolarHBondContact OG-OH 2.88Å; T59-Y411 HydrophobicContact CG2-CD2 4.34Å; T59-Y411 HydrophobicContact CG2-CE2 3.41Å; T59-Y411 VanDerWaalsContact CG2-CE2 3.41Å; D60-Y411 WeakPolarHBondContact OD2-CE2 3.44Å; S78-Y411 PolarHBondContact O-OH 3.4Å; A80-Y411 HydrophobicContact CB-CE1 4.25Å; Y84-Y411 AromaticContact CD2-CE1 3.87Å; Y84-Y411 HydrophobicContact CD2-CE1 3.87Å; Y84-Y411 AromaticContact CE2-CE1 3.95Å; Y84-Y411 HydrophobicContact CE2-CE1 3.95Å; Y84-Y411 HydrophobicContact CE2-CE2 4.36Å; Y84-Y411 AromaticContact CE2-CZ 3.69Å; F108-Y411 HydrophobicContact CZ-CD1 4.34Å; S409-Y411 VanDerWaalsContact C-N 3.32Å; S409-Y411 PolarHBondContact O-N 3Å; Y411-M668 WeakPolarHBondContact O-CA 3.26Å; Y411-M668 VanDerWaalsContact O-CB 3.26Å; Y411-M668 WeakPolarHBondContact O-CB 3.49Å; Y411-M668 WeakPolarHBondContact O-CG 3.19Å
412D92Very high95.9Very high46 Ų4623.3 Ų23.325%0.24613%0.126CC..  trans-49.5139.3176.4-160.3-89.8000113.1L414 K669D412-L414 PolarHBondContact O-N 2.9Å; D412-L414 WeakPolarHBondContact OD1-CB 3.43Å; D412-L414 PolarHBondContact OD1-N 2.94Å; D412-K669 IonicContact OD2-NZ 2.63Å; D412-K669 PolarHBondContact OD2-NZ 3.46Å
413P94.8Very high96Very high3 Ų325.3 Ų25.32%0.01914%0.139CC..  trans-72.4-4.1-178.623.4-24.1000113.9Y366 A367 E368 I415 M668Y366-P413 HydrophobicContact CD1-CB 3.96Å; Y366-P413 HydrophobicContact CD1-CG 3.68Å; Y366-P413 HydrophobicContact CE1-CG 4.15Å; A367-P413 HydrophobicContact CB-CB 4.4Å; A367-P413 WeakPolarHBondContact CB-O 3.33Å; A367-P413 PolarHBondContact N-O 3.44Å; E368-P413 HydrophobicContact CG-CB 4.06Å; E368-P413 HydrophobicContact CG-CG 4.13Å; E368-P413 WeakPolarHBondContact OE1-CG 3.3Å; P413-I415 PolarHBondContact O-N 2.78Å; P413-I415 VanDerWaalsContact O-N 3.13Å; P413-M668 HydrophobicContact CB-CB 4.18Å; P413-M668 HydrophobicContact CB-CE 4.45Å; P413-M668 HydrophobicContact CB-CG 4.42Å; P413-M668 HydrophobicContact CB-SD 3.63Å; P413-M668 HydrophobicContact CG-CB 4.22Å
414L97.2Very high96Very high18 Ų1824.9 Ų24.99%0.09414%0.138CC..EExtended strand (participates in β ladder)trans-62.7115.4-176.2-173.468.5000111.1E36 V320 R364 Y366 D412 G416 K417E36-L414 HydrophobicContact CG-CD2 4.03Å; V320-L414 HydrophobicContact CG1-CD2 4.26Å; R364-L414 HydrophobicContact CB-CD1 3.78Å; R364-L414 HydrophobicContact CG-CD1 4.27Å; Y366-L414 VanDerWaalsContact CD1-CA 3.47Å; Y366-L414 HydrophobicContact CD1-CB 3.96Å; Y366-L414 HydrophobicContact CD1-CD1 4.13Å; Y366-L414 HydrophobicContact CE1-CB 3.65Å; Y366-L414 HydrophobicContact CE1-CD1 3.82Å; Y366-L414 HydrophobicContact CE1-CG 4.34Å; D412-L414 PolarHBondContact O-N 2.9Å; D412-L414 WeakPolarHBondContact OD1-CB 3.43Å; D412-L414 PolarHBondContact OD1-N 2.94Å; L414-G416 WeakPolarHBondContact CD1-O 3.33Å; L414-K417 HydrophobicContact CD2-CG 4.35Å
415I98Very high96.2Very high0 Ų024.4 Ų24.40%013%0.129CC..EExtended strand (participates in β ladder)trans-76.9-44.9173.4-52.2-173.5000109.3L365 A367 L381 F384 G400 Y401 I407 P413 L441 V444L365-I415 HydrophobicContact CD2-CB 4.14Å; L365-I415 HydrophobicContact CD2-CD1 4.44Å; L365-I415 HydrophobicContact CD2-CG2 4.15Å; L365-I415 HydrophobicContact CG-CB 4.14Å; L365-I415 HydrophobicContact CG-CD1 4.22Å; L365-I415 HydrophobicContact CG-CG1 4.49Å; L365-I415 WeakPolarHBondContact O-CB 3.28Å; L365-I415 PolarHBondContact O-N 3.01Å; A367-I415 HydrophobicContact CB-CD1 4.01Å; A367-I415 HydrophobicContact CB-CG1 4.02Å; L381-I415 HydrophobicContact CD1-CG2 4.37Å; L381-I415 HydrophobicContact CD2-CD1 4.45Å; F384-I415 HydrophobicContact CE1-CG2 4.37Å; F384-I415 HydrophobicContact CZ-CG2 4.1Å; G400-I415 PolarHBondContact N-O 3.09Å; Y401-I415 HydrophobicContact CD2-CG2 4.25Å; I407-I415 HydrophobicContact CD1-CD1 3.87Å; I407-I415 HydrophobicContact CD1-CG1 3.8Å; P413-I415 PolarHBondContact O-N 2.78Å; P413-I415 VanDerWaalsContact O-N 3.13Å; I415-L441 HydrophobicContact CD1-CD1 3.7Å; I415-V444 HydrophobicContact CD1-CG2 4.4Å
416G98Very high96.2Very high0 Ų027.6 Ų27.60%015%0.149CC..EExtended strand (participates in β ladder)trans173.2-171.8178.600000112.1L365 E398 L414L365-G416 WeakPolarHBondContact CB-O 3.34Å; L365-G416 PolarHBondContact N-O 3.2Å; L365-G416 PolarHBondContact O-N 2.96Å; E398-G416 CarbonylContact O-C 3.6Å; E398-G416 WeakPolarHBondContact O-CA 3.3Å; L414-G416 WeakPolarHBondContact CD1-O 3.33Å
417K98.6Very high96.4Very high0 Ų025.4 Ų25.40%014%0.135CC..EExtended strand (participates in β ladder)trans-125.7137.5-176-48.1171.7-51.2-165.20109.5E36 V320 E362 A363 E398 L414 I419E36-K417 VanDerWaalsContact CD-CE 3.47Å; E36-K417 VanDerWaalsContact OE1-CD 3.28Å; E36-K417 WeakPolarHBondContact OE1-CD 3.11Å; E36-K417 WeakPolarHBondContact OE1-CE 3.38Å; E36-K417 IonicContact OE1-NZ 3.21Å; E36-K417 PolarHBondContact OE1-NZ 3.43Å; E36-K417 IonicContact OE2-NZ 2.68Å; E36-K417 PolarHBondContact OE2-NZ 3.05Å; V320-K417 HydrophobicContact CG1-CD 3.68Å; V320-K417 PolarHBondContact O-NZ 2.8Å; E362-K417 HydrophobicContact CG-CB 4.15Å; E362-K417 WeakPolarHBondContact OE1-CD 3.4Å; A363-K417 WeakPolarHBondContact O-CA 3.31Å; E398-K417 HydrophobicContact CB-CB 4.21Å; E398-K417 PolarHBondContact N-O 2.87Å; E398-K417 PolarHBondContact O-N 2.83Å; L414-K417 HydrophobicContact CD2-CG 4.35Å; K417-I419 HydrophobicContact CB-CD1 3.92Å
418I98.5Very high96.5Very high0 Ų025.4 Ų25.40%013%0.134CC..EExtended strand (participates in β ladder)trans-113.9116.1177.6-59.6169.7000107.1E362 A363 I395 L397 M399 L432 A435 L436 L439E362-I418 CarbonylContact C-O 3.59Å; E362-I418 WeakPolarHBondContact CA-O 3.44Å; A363-I418 PolarHBondContact N-O 2.68Å; A363-I418 PolarHBondContact O-N 2.92Å; I395-I418 HydrophobicContact CG2-CG2 4.46Å; L397-I418 HydrophobicContact CD2-CB 4.47Å; L397-I418 HydrophobicContact CD2-CG1 4.07Å; L397-I418 HydrophobicContact CD2-CG2 4.17Å; M399-I418 HydrophobicContact CE-CG1 3.9Å; I418-L432 HydrophobicContact CB-CD1 4.38Å; I418-L432 HydrophobicContact CG2-CD1 3.97Å; I418-A435 HydrophobicContact CG2-CB 3.74Å; I418-L436 HydrophobicContact CD1-CD2 3.8Å; I418-L439 HydrophobicContact CD1-CD2 3.97Å
419I98.7Very high96.7Very high0 Ų025.5 Ų25.50%013%0.134CC..EExtended strand (participates in β ladder)trans-115.4124-173.9-52.595.4000108.6P323 V324 M327 S360 F361 E362 I395 R396 E398 K417P323-I419 HydrophobicContact CB-CD1 4.06Å; P323-I419 HydrophobicContact CB-CG1 3.84Å; P323-I419 HydrophobicContact CB-CG2 4.5Å; P323-I419 HydrophobicContact CG-CD1 4.45Å; V324-I419 HydrophobicContact CG1-CG2 4.25Å; M327-I419 HydrophobicContact CG-CG2 3.64Å; S360-I419 WeakPolarHBondContact OG-CG2 3.26Å; F361-I419 CarbonylContact O-C 3.58Å; F361-I419 WeakPolarHBondContact O-CA 3.14Å; E362-I419 HydrophobicContact CB-CG1 3.97Å; E362-I419 HydrophobicContact CG-CG1 3.86Å; E362-I419 WeakPolarHBondContact OE2-CG1 3.41Å; I395-I419 CarbonylContact C-O 3.55Å; I395-I419 WeakPolarHBondContact CA-O 3.28Å; R396-I419 HydrophobicContact CB-CB 4.17Å; R396-I419 HydrophobicContact CG-CD1 4.25Å; R396-I419 PolarHBondContact N-O 3.43Å; R396-I419 WeakPolarHBondContact O-CD1 3.47Å; R396-I419 PolarHBondContact O-N 3.45Å; E398-I419 HydrophobicContact CB-CD1 4.31Å; E398-I419 HydrophobicContact CG-CD1 3.84Å; K417-I419 HydrophobicContact CB-CD1 3.92Å
420A98.7Very high97Very high0 Ų031 Ų310%016%0.158CC..EExtended strand (participates in β ladder)trans-111.7143.4175.600000110S360 F361 N394 I395 A428 R431 L432S360-A420 CarbonylContact C-O 3.48Å; S360-A420 WeakPolarHBondContact CA-O 3.44Å; S360-A420 WeakPolarHBondContact CB-O 3.45Å; S360-A420 PolarHBondContact OG-O 3.33Å; F361-A420 PolarHBondContact N-O 3.47Å; F361-A420 PolarHBondContact O-N 2.91Å; N394-A420 WeakPolarHBondContact O-CA 3.41Å; I395-A420 HydrophobicContact CD1-CB 3.75Å; A420-A428 WeakPolarHBondContact CB-O 3.31Å; A420-R431 HydrophobicContact CB-CB 3.86Å; A420-L432 HydrophobicContact CB-CB 3.79Å
421W98.7Very high97.3Very high54 Ų5432.7 Ų32.721%0.20516%0.163CC..EExtended strand (participates in β ladder)trans-136143.9174.2176.192000110.9M327 R357 H359 N394 I423 R431M327-W421 HydrophobicContact CB-CB 4.13Å; M327-W421 HydrophobicContact CB-CG 4.26Å; M327-W421 HydrophobicContact CE-CB 3.39Å; M327-W421 HydrophobicContact CE-CG 4.1Å; M327-W421 HydrophobicContact CG-CB 4.5Å; M327-W421 PolarHBondContact O-NE1 3.43Å; R357-W421 PolarHBondContact O-NE1 3.19Å; H359-W421 VanDerWaalsContact O-CA 3.3Å; H359-W421 WeakPolarHBondContact O-CA 3.09Å; H359-W421 VanDerWaalsContact O-CD1 3.23Å; N394-W421 VanDerWaalsContact CB-O 3.29Å; N394-W421 WeakPolarHBondContact CB-O 3.29Å; N394-W421 PolarHBondContact ND2-O 3.05Å; N394-W421 PolarHBondContact O-N 3.48Å; W421-I423 HydrophobicContact CH2-CG2 4.38Å; W421-R431 VanDerWaalsContact O-CD 3.32Å; W421-R431 WeakPolarHBondContact O-CD 3.4Å
422D98.4Very high97.5Very high20 Ų2032.6 Ų32.611%0.10716%0.162CC..EExtended strand (participates in β ladder)trans-152.5-177.7164.4-146.3-23.1000111.4G358 H359 D424 S427 A428 R431G358-D422 CarbonylContact C-O 3.56Å; G358-D422 WeakPolarHBondContact CA-O 3.1Å; H359-D422 PolarHBondContact N-O 2.88Å; H359-D422 PolarHBondContact O-N 3.22Å; D422-D424 PolarHBondContact O-N 3.06Å; D422-S427 WeakPolarHBondContact OD2-CB 3.33Å; D422-A428 HydrophobicContact CB-CB 4.22Å; D422-R431 VanDerWaalsContact CG-NE 3.34Å; D422-R431 IonicContact OD1-NH2 3.72Å; D422-R431 IonicContact OD2-CZ 3.82Å; D422-R431 IonicContact OD2-NE 3.06Å; D422-R431 PolarHBondContact OD2-NE 2.88Å; D422-R431 IonicContact OD2-NH2 3.35Å; D422-R431 PolarHBondContact OD2-NH2 2.99Å
423I97.6Very high97.7Very high128 Ų12833 Ų3366%0.65616%0.163SC*.SBendtrans-63.4-22.3-179.459.7166.3000114.2G358 W421G358-I423 WeakPolarHBondContact CA-O 3.38Å; W421-I423 HydrophobicContact CH2-CG2 4.38Å
424D97.1Very high97.8Very high59 Ų5937.5 Ų37.532%0.31618%0.182SC..SBendtrans-145.9161.3-178.971.379.3000110.9D422 T426 S427 A428D422-D424 PolarHBondContact O-N 3.06Å; D424-T426 PolarHBondContact O-N 3.25Å; D424-T426 WeakPolarHBondContact OD1-CA 3.46Å; D424-T426 WeakPolarHBondContact OD1-CB 3.3Å; D424-T426 PolarHBondContact OD1-N 2.56Å; D424-S427 VanDerWaalsContact CG-OG 3.3Å; D424-S427 PolarHBondContact O-N 2.98Å; D424-S427 PolarHBondContact OD1-N 2.85Å; D424-S427 PolarHBondContact OD1-OG 2.88Å; D424-S427 WeakPolarHBondContact OD2-CB 3.45Å; D424-S427 PolarHBondContact OD2-OG 3.37Å; D424-A428 WeakPolarHBondContact O-CB 3.36Å; D424-A428 PolarHBondContact O-N 3.33Å
425R97.7Very high97.8Very high16 Ų1636.6 Ų36.66%0.0618%0.178CC..Hα-helixtrans-60-44.1-176.1-174.3176.4-176.2-88.5-3.7112.8E265 H359 F361 A428 L429 L460 A461E265-R425 IonicContact OE1-CZ 2.74Å; E265-R425 IonicContact OE1-NE 3.41Å; E265-R425 IonicContact OE1-NH2 3.73Å; E265-R425 PolarHBondContact OE1-NH2 3.37Å; E265-R425 IonicContact OE2-CZ 2.81Å; E265-R425 IonicContact OE2-NE 3.74Å; E265-R425 PolarHBondContact OE2-NE 3.11Å; E265-R425 IonicContact OE2-NH2 3.44Å; E265-R425 PolarHBondContact OE2-NH2 3.01Å; H359-R425 HydrophobicContact CB-CB 4.23Å; F361-R425 HydrophobicContact CE2-CG 3.66Å; F361-R425 WeakPolarHBondContact CE2-O 3.46Å; F361-R425 HydrophobicContact CZ-CG 3.75Å; R425-A428 PolarHBondContact O-N 2.94Å; R425-L429 WeakPolarHBondContact O-CB 3.3Å; R425-L429 PolarHBondContact O-N 3.12Å; R425-L460 PolarHBondContact NH1-O 3.44Å; R425-L460 PolarHBondContact NH2-O 3.17Å; R425-A461 PolarHBondContact NH1-O 2.85Å
426T97.3Very high97.6Very high85 Ų8536.6 Ų36.652%0.52118%0.178SC..Hα-helixtrans-62.4-48.3-178.5-57.60000110.7D424 A428 L429 Q430D424-T426 PolarHBondContact O-N 3.25Å; D424-T426 WeakPolarHBondContact OD1-CA 3.46Å; D424-T426 WeakPolarHBondContact OD1-CB 3.3Å; D424-T426 PolarHBondContact OD1-N 2.56Å; T426-A428 PolarHBondContact O-N 3.18Å; T426-L429 PolarHBondContact O-N 3.36Å; T426-Q430 WeakPolarHBondContact O-CG 3.43Å; T426-Q430 PolarHBondContact O-N 2.82Å
427S97.6Very high97.5Very high28 Ų2836.9 Ų36.920%0.19618%0.18CC..Hα-helixtrans-64.4-39.5178.2-600000111.7D422 D424 Q430 R431D422-S427 WeakPolarHBondContact OD2-CB 3.33Å; D424-S427 VanDerWaalsContact CG-OG 3.3Å; D424-S427 PolarHBondContact O-N 2.98Å; D424-S427 PolarHBondContact OD1-N 2.85Å; D424-S427 PolarHBondContact OD1-OG 2.88Å; D424-S427 WeakPolarHBondContact OD2-CB 3.45Å; D424-S427 PolarHBondContact OD2-OG 3.37Å; S427-Q430 PolarHBondContact O-N 2.86Å; S427-R431 WeakPolarHBondContact O-CG 3.34Å; S427-R431 PolarHBondContact O-N 3.47Å
428A98.4Very high97.2Very high0 Ų038.3 Ų38.30%019%0.187CC..Hα-helixtrans-63.9-42.4175.400000112.3H359 F361 A420 D422 D424 R425 T426 R431 L432H359-A428 HydrophobicContact CB-CB 4.24Å; H359-A428 WeakPolarHBondContact O-CB 3.46Å; F361-A428 HydrophobicContact CD2-CB 3.92Å; F361-A428 HydrophobicContact CE2-CB 4.36Å; A420-A428 WeakPolarHBondContact CB-O 3.31Å; D422-A428 HydrophobicContact CB-CB 4.22Å; D424-A428 WeakPolarHBondContact O-CB 3.36Å; D424-A428 PolarHBondContact O-N 3.33Å; R425-A428 PolarHBondContact O-N 2.94Å; T426-A428 PolarHBondContact O-N 3.18Å; A428-R431 WeakPolarHBondContact O-CB 3.33Å; A428-R431 PolarHBondContact O-N 3.42Å; A428-L432 PolarHBondContact O-N 3.19Å
429L98.2Very high97.1Very high14 Ų1438.3 Ų38.37%0.07319%0.187CC..Hα-helixtrans-65.7-42176.1-178.465.7000111.6F361 R425 T426 R431 L432 H433 C455 L460 A461F361-L429 HydrophobicContact CD1-CD1 4.34Å; F361-L429 HydrophobicContact CD2-CB 4.08Å; F361-L429 HydrophobicContact CE1-CD1 4.21Å; F361-L429 HydrophobicContact CE2-CB 3.71Å; F361-L429 HydrophobicContact CE2-CD1 4.46Å; F361-L429 HydrophobicContact CZ-CB 4.14Å; F361-L429 HydrophobicContact CZ-CD1 4.27Å; R425-L429 WeakPolarHBondContact O-CB 3.3Å; R425-L429 PolarHBondContact O-N 3.12Å; T426-L429 PolarHBondContact O-N 3.36Å; L429-R431 VanDerWaalsContact C-N 3.26Å; L429-R431 PolarHBondContact O-N 2.96Å; L429-L432 PolarHBondContact O-N 2.92Å; L429-L432 VanDerWaalsContact O-N 3.17Å; L429-H433 PolarHBondContact O-N 3.3Å; L429-C455 HydrophobicContact CD1-CB 4.3Å; L429-L460 HydrophobicContact CD1-CD2 3.81Å; L429-L460 HydrophobicContact CD1-CG 4.47Å; L429-A461 HydrophobicContact CD2-CB 4.3Å
430Q97.1Very high96.9Very high124 Ų12439.2 Ų39.258%0.57919%0.191SC*.Hα-helixtrans-59.8-37.2174.1-74.8176.4-6.200112.1T426 S427 F434T426-Q430 WeakPolarHBondContact O-CG 3.43Å; T426-Q430 PolarHBondContact O-N 2.82Å; S427-Q430 PolarHBondContact O-N 2.86Å; Q430-F434 WeakPolarHBondContact O-CB 2.97Å; Q430-F434 PolarHBondContact O-N 2.92Å
431R97.6Very high96.8Very high89 Ų8939.8 Ų39.834%0.33619%0.194SC..Hα-helixtrans-67.7-40.8173.8-77.2-171-167.2-89.3-5.9112.9N394 I395 A420 W421 D422 S427 A428 L429 H433 F434 A435N394-R431 PolarHBondContact ND2-NE 3.47Å; N394-R431 PolarHBondContact ND2-NH1 3.25Å; N394-R431 PolarHBondContact ND2-NH2 3.33Å; I395-R431 HydrophobicContact CD1-CB 3.95Å; A420-R431 HydrophobicContact CB-CB 3.86Å; W421-R431 VanDerWaalsContact O-CD 3.32Å; W421-R431 WeakPolarHBondContact O-CD 3.4Å; D422-R431 VanDerWaalsContact CG-NE 3.34Å; D422-R431 IonicContact OD1-NH2 3.72Å; D422-R431 IonicContact OD2-CZ 3.82Å; D422-R431 IonicContact OD2-NE 3.06Å; D422-R431 PolarHBondContact OD2-NE 2.88Å; D422-R431 IonicContact OD2-NH2 3.35Å; D422-R431 PolarHBondContact OD2-NH2 2.99Å; S427-R431 WeakPolarHBondContact O-CG 3.34Å; S427-R431 PolarHBondContact O-N 3.47Å; A428-R431 WeakPolarHBondContact O-CB 3.33Å; A428-R431 PolarHBondContact O-N 3.42Å; L429-R431 VanDerWaalsContact C-N 3.26Å; L429-R431 PolarHBondContact O-N 2.96Å; R431-H433 VanDerWaalsContact C-N 3.34Å; R431-F434 PolarHBondContact O-N 2.89Å; R431-A435 WeakPolarHBondContact O-CB 3.11Å; R431-A435 PolarHBondContact O-N 2.8Å
432L98.2Very high96.6Very high0 Ų037.3 Ų37.30%019%0.185CC..Hα-helixtrans-61.6-46.1174.9-178.960.3000110.6F361 A363 I418 A420 A428 L429 F434 A435 L436F361-L432 HydrophobicContact CB-CB 4.36Å; F361-L432 HydrophobicContact CB-CD2 3.67Å; F361-L432 HydrophobicContact CG-CD2 4.41Å; A363-L432 HydrophobicContact CB-CD1 3.89Å; A363-L432 HydrophobicContact CB-CD2 4.11Å; A363-L432 HydrophobicContact CB-CG 4.47Å; I418-L432 HydrophobicContact CB-CD1 4.38Å; I418-L432 HydrophobicContact CG2-CD1 3.97Å; A420-L432 HydrophobicContact CB-CB 3.79Å; A428-L432 PolarHBondContact O-N 3.19Å; L429-L432 PolarHBondContact O-N 2.92Å; L429-L432 VanDerWaalsContact O-N 3.17Å; L432-F434 PolarHBondContact O-N 3.46Å; L432-A435 PolarHBondContact O-N 3.21Å; L432-L436 HydrophobicContact CD1-CD1 4.28Å; L432-L436 HydrophobicContact CD1-CG 4.37Å; L432-L436 HydrophobicContact CG-CD1 4.06Å; L432-L436 WeakPolarHBondContact O-CG 3.3Å; L432-L436 PolarHBondContact O-N 3.02Å
433H96.3Very high96.4Very high54 Ų5437.5 Ų37.525%0.2519%0.192CC..Hα-helixtrans-56-49.3173.9177.2-86.8000111.6L429 R431 A435 L436 A437 C455 Q456L429-H433 PolarHBondContact O-N 3.3Å; R431-H433 VanDerWaalsContact C-N 3.34Å; H433-A435 VanDerWaalsContact C-N 3.3Å; H433-A435 PolarHBondContact O-N 2.72Å; H433-L436 PolarHBondContact O-N 2.96Å; H433-A437 VanDerWaalsContact O-CB 3.27Å; H433-A437 WeakPolarHBondContact O-CB 3.27Å; H433-A437 PolarHBondContact O-N 2.97Å; H433-C455 HydrophobicContact CB-CB 4.24Å; H433-Q456 PolarHBondContact NE2-NE2 3.31Å
434F95.5Very high96.3Very high98 Ų9832.1 Ų32.143%0.4317%0.165SC..Hα-helixtrans-56.6-44176.3173.8-89.5000112L389 L392 Q430 R431 L432 A437 N438L389-F434 HydrophobicContact CD2-CE1 4.48Å; L392-F434 HydrophobicContact CD1-CE1 3.98Å; Q430-F434 WeakPolarHBondContact O-CB 2.97Å; Q430-F434 PolarHBondContact O-N 2.92Å; R431-F434 PolarHBondContact O-N 2.89Å; L432-F434 PolarHBondContact O-N 3.46Å; F434-A437 PolarHBondContact O-N 3.06Å; F434-N438 WeakPolarHBondContact CD2-ND2 3.27Å; F434-N438 VanDerWaalsContact CE2-ND2 3.28Å; F434-N438 WeakPolarHBondContact CE2-ND2 3.35Å; F434-N438 WeakPolarHBondContact O-CB 3.44Å; F434-N438 PolarHBondContact O-N 2.82Å; F434-N438 VanDerWaalsContact O-N 3.07Å; F434-N438 PolarHBondContact O-ND2 2.93Å
435A96.6Very high96.1Very high0 Ų030.2 Ų30.20%016%0.159CC..Hα-helixtrans-64.1-47.9-179.200000111.6L389 I395 I418 R431 L432 H433 A437 N438 L439L389-A435 HydrophobicContact CD1-CB 4.36Å; L389-A435 HydrophobicContact CD2-CB 4.08Å; I395-A435 HydrophobicContact CD1-CB 3.93Å; I395-A435 HydrophobicContact CG1-CB 4.42Å; I395-A435 HydrophobicContact CG2-CB 4.19Å; I418-A435 HydrophobicContact CG2-CB 3.74Å; R431-A435 WeakPolarHBondContact O-CB 3.11Å; R431-A435 PolarHBondContact O-N 2.8Å; L432-A435 PolarHBondContact O-N 3.21Å; H433-A435 VanDerWaalsContact C-N 3.3Å; H433-A435 PolarHBondContact O-N 2.72Å; A435-A437 VanDerWaalsContact C-N 3.32Å; A435-A437 PolarHBondContact O-N 3.03Å; A435-N438 PolarHBondContact O-N 3.07Å; A435-L439 PolarHBondContact O-N 3.22Å
436L95.8Very high96Very high0 Ų030.2 Ų30.20%016%0.161CC..Hα-helixtrans-62.5-38.7176.1-68.1167.4000112I418 L432 H433 N438 L439 M448 L451 L452I418-L436 HydrophobicContact CD1-CD2 3.8Å; L432-L436 HydrophobicContact CD1-CD1 4.28Å; L432-L436 HydrophobicContact CD1-CG 4.37Å; L432-L436 HydrophobicContact CG-CD1 4.06Å; L432-L436 WeakPolarHBondContact O-CG 3.3Å; L432-L436 PolarHBondContact O-N 3.02Å; H433-L436 PolarHBondContact O-N 2.96Å; L436-N438 VanDerWaalsContact C-N 3.28Å; L436-N438 PolarHBondContact O-N 3.39Å; L436-L439 PolarHBondContact O-N 3.4Å; L436-M448 HydrophobicContact CD2-CG 4.37Å; L436-L451 HydrophobicContact CD1-CB 3.82Å; L436-L451 HydrophobicContact CD2-CB 4.18Å; L436-L451 HydrophobicContact CD2-CD1 4.06Å; L436-L452 HydrophobicContact CB-CD2 3.54Å; L436-L452 HydrophobicContact CB-CG 3.83Å
437A94.2Very high95.9Very high6 Ų626.1 Ų26.15%0.0514%0.137CC..Hα-helixtrans-73.5-20.6-178.100000113.2H433 F434 A435 R440 L452 S611H433-A437 VanDerWaalsContact O-CB 3.27Å; H433-A437 WeakPolarHBondContact O-CB 3.27Å; H433-A437 PolarHBondContact O-N 2.97Å; F434-A437 PolarHBondContact O-N 3.06Å; A435-A437 VanDerWaalsContact C-N 3.32Å; A435-A437 PolarHBondContact O-N 3.03Å; A437-R440 PolarHBondContact O-NH1 3.05Å; A437-R440 PolarHBondContact O-NH2 2.57Å; A437-L452 HydrophobicContact CB-CD2 3.98Å; A437-S611 WeakPolarHBondContact CA-OG 3.46Å
438N94Very high95.8Very high29 Ų2925.1 Ų25.116%0.15513%0.129CC..Hα-helixtrans-101.8-8.2177.3-73.4-84.4000113.4S388 L389 F434 A435 L436 R440S388-N438 PolarHBondContact OG-O 3.04Å; L389-N438 HydrophobicContact CD2-CB 4.05Å; F434-N438 WeakPolarHBondContact CD2-ND2 3.27Å; F434-N438 VanDerWaalsContact CE2-ND2 3.28Å; F434-N438 WeakPolarHBondContact CE2-ND2 3.35Å; F434-N438 WeakPolarHBondContact O-CB 3.44Å; F434-N438 PolarHBondContact O-N 2.82Å; F434-N438 VanDerWaalsContact O-N 3.07Å; F434-N438 PolarHBondContact O-ND2 2.93Å; A435-N438 PolarHBondContact O-N 3.07Å; L436-N438 VanDerWaalsContact C-N 3.28Å; L436-N438 PolarHBondContact O-N 3.39Å; N438-R440 PolarHBondContact O-NH1 3.39Å
439L94.4Very high95.6Very high0 Ų026.8 Ų26.80%014%0.14CC..  trans-65.7138170.4-177.765.2000111L365 F384 L386 L389 I418 A435 L436 M448L365-L439 HydrophobicContact CD1-CD2 4.13Å; L365-L439 HydrophobicContact CD2-CD2 3.71Å; F384-L439 HydrophobicContact CD2-CD1 4.4Å; F384-L439 HydrophobicContact CE2-CD1 3.9Å; L386-L439 HydrophobicContact CD2-CD1 3.21Å; L386-L439 HydrophobicContact CG-CD1 4.38Å; L389-L439 HydrophobicContact CD1-CB 4.48Å; L389-L439 HydrophobicContact CD1-CD1 4.4Å; I418-L439 HydrophobicContact CD1-CD2 3.97Å; A435-L439 PolarHBondContact O-N 3.22Å; L436-L439 PolarHBondContact O-N 3.4Å; L439-M448 HydrophobicContact CB-SD 4.18Å; L439-M448 HydrophobicContact CD2-CG 4.19Å; L439-M448 HydrophobicContact CD2-SD 4.15Å; L439-M448 HydrophobicContact CG-SD 4.32Å
440R95.4Very high95.5Very high19 Ų1926.3 Ų26.37%0.07214%0.137CC..EExtended strand (participates in β ladder)trans-122.1118.4173.5-49-70.8171.2-107.95.5108.7Y383 F384 D385 A437 N438 Y604Y383-R440 HydrophobicContact CD1-CB 4.08Å; Y383-R440 HydrophobicContact CE1-CB 3.78Å; Y383-R440 HydrophobicContact CE1-CG 4.48Å; F384-R440 CarbonylContact C-O 3.57Å; F384-R440 WeakPolarHBondContact CA-O 3.36Å; D385-R440 HydrophobicContact CB-CB 4.09Å; D385-R440 HydrophobicContact CB-CG 4.48Å; D385-R440 PolarHBondContact N-O 3.32Å; D385-R440 PolarHBondContact O-N 2.78Å; A437-R440 PolarHBondContact O-NH1 3.05Å; A437-R440 PolarHBondContact O-NH2 2.57Å; N438-R440 PolarHBondContact O-NH1 3.39Å; R440-Y604 HydrophobicContact CB-CD1 4.45Å; R440-Y604 HydrophobicContact CB-CE1 4.26Å; R440-Y604 HydrophobicContact CB-CE2 4.34Å; R440-Y604 HydrophobicContact CG-CG 4.43Å
441L95.9Very high95.5Very high12 Ų1220.4 Ų20.46%0.06311%0.109CC..EExtended strand (participates in β ladder)trans-143.8124.5-178.5-177.1156.3000110.2L365 L381 Y383 F384 I415 V444 Y604L365-L441 HydrophobicContact CD2-CD1 3.96Å; L381-L441 HydrophobicContact CD2-CD1 4.05Å; L381-L441 HydrophobicContact CD2-CD2 4.44Å; L381-L441 HydrophobicContact CD2-CG 4.11Å; Y383-L441 CarbonylContact O-C 3.53Å; Y383-L441 VanDerWaalsContact O-CA 3.3Å; Y383-L441 WeakPolarHBondContact O-CA 3.5Å; F384-L441 HydrophobicContact CD2-CB 4.12Å; F384-L441 HydrophobicContact CD2-CD1 3.84Å; F384-L441 HydrophobicContact CD2-CG 4.13Å; F384-L441 HydrophobicContact CE2-CD1 3.85Å; I415-L441 HydrophobicContact CD1-CD1 3.7Å; L441-V444 HydrophobicContact CD2-CG2 3.83Å; L441-Y604 PolarHBondContact N-OH 3.32Å; L441-Y604 PolarHBondContact O-OH 3.25Å
442C95.7Very high95.3Very high2 Ų216.1 Ų16.11%0.0149%0.093CC..EExtended strand (participates in β ladder)trans-149.3173167.366.70000112V382 Y383 Y597 V602 Y604V382-C442 PolarHBondContact N-O 2.69Å; V382-C442 VanDerWaalsContact N-O 3.09Å; Y383-C442 PolarHBondContact N-O 3.01Å; Y383-C442 PolarHBondContact O-N 2.75Å; C442-Y597 HydrophobicContact CB-CE1 3.79Å; C442-Y597 WeakPolarHBondContact SG-CE1 3.25Å; C442-V602 HydrophobicContact CB-CG2 4.02Å; C442-Y604 WeakPolarHBondContact CB-OH 3.44Å; C442-Y604 PolarHBondContact N-OH 3.47Å
443G94.3Very high95.2Very high25 Ų2516.5 Ų16.526%0.25810%0.096SC..SBendtrans103-29.4-168.400000112.8R380 Y597R380-G443 CarbonylContact O-C 3.6Å; R380-G443 WeakPolarHBondContact O-CA 3.47Å; G443-Y597 PolarHBondContact N-OH 2.9Å
444V94.6Very high95.2Very high14 Ų1413.9 Ų13.99%0.0858%0.084CC..SBendtrans-129153.9171.7-59.50000110.4S377 L381 I407 I415 L441S377-V444 WeakPolarHBondContact O-CB 3.49Å; S377-V444 WeakPolarHBondContact O-CG1 3.2Å; L381-V444 HydrophobicContact CD2-CG2 3.67Å; I407-V444 HydrophobicContact CD1-CG1 4.44Å; I407-V444 HydrophobicContact CD1-CG2 4.21Å; I415-V444 HydrophobicContact CD1-CG2 4.4Å; L441-V444 HydrophobicContact CD2-CG2 3.83Å
445G93.2Very high95.2Very high19 Ų199.6 Ų9.620%0.1967%0.066CC..  trans-65.1139.4164.500000110.1A367 E368 S377A367-G445 CarbonylContact C-O 3.5Å; A367-G445 WeakPolarHBondContact CA-O 3.31Å; E368-G445 PolarHBondContact N-O 2.84Å; E368-G445 CarbonylContact O-C 3.48Å; S377-G445 PolarHBondContact OG-N 3.35Å
446S95.4Very high95Very high16 Ų1614.4 Ų14.411%0.1129%0.089CC..  trans-136.8153.7176.973.50000112.3Y366 E368 M448 P449Y366-S446 VanDerWaalsContact O-CA 3.27Å; Y366-S446 WeakPolarHBondContact O-CA 3.39Å; E368-S446 CarbonylContact O-C 3.53Å; E368-S446 WeakPolarHBondContact O-CA 3.42Å; E368-S446 PolarHBondContact O-N 3.1Å; S446-M448 PolarHBondContact O-N 2.98Å; S446-P449 WeakPolarHBondContact O-CD 3.42Å
447N96.5Very high94.9Very high0 Ų015.7 Ų15.70%09%0.094CC..SBendtrans-77.92.6175.173.8-21.2000113.2R364 Y366 E368 P370 F374 F450 L451R364-N447 PolarHBondContact O-ND2 2.66Å; Y366-N447 PolarHBondContact N-OD1 3.17Å; Y366-N447 PolarHBondContact O-N 2.87Å; Y366-N447 VanDerWaalsContact O-N 3.1Å; Y366-N447 PolarHBondContact O-OD1 2.95Å; E368-N447 PolarHBondContact O-N 2.95Å; P370-N447 HydrophobicContact CG-CB 4.2Å; F374-N447 HydrophobicContact CE1-CB 4.26Å; N447-F450 WeakPolarHBondContact O-CA 3.48Å; N447-F450 WeakPolarHBondContact O-CB 3.23Å; N447-F450 PolarHBondContact O-N 2.92Å; N447-L451 PolarHBondContact O-N 2.8Å
448M95.4Very high94.9Very high6 Ų620.2 Ų20.23%0.0312%0.122CC..Hα-helixtrans-52.9-45.3-177.6-177.7-148.374.100113.6L365 L436 L439 S446 F450 L451 L452L365-M448 HydrophobicContact CD1-CB 3.83Å; L436-M448 HydrophobicContact CD2-CG 4.37Å; L439-M448 HydrophobicContact CB-SD 4.18Å; L439-M448 HydrophobicContact CD2-CG 4.19Å; L439-M448 HydrophobicContact CD2-SD 4.15Å; L439-M448 HydrophobicContact CG-SD 4.32Å; S446-M448 PolarHBondContact O-N 2.98Å; M448-F450 PolarHBondContact O-N 2.83Å; M448-L451 PolarHBondContact O-N 2.82Å; M448-L452 HydrophobicContact CE-CD1 4.1Å; M448-L452 PolarHBondContact O-N 2.91Å
449P93.4Very high94.9Very high36 Ų3621 Ų2123%0.23413%0.126CC..Hα-helixtrans-62.6-33.3177.3-22.235.3000113S446 L452 A453 T610S446-P449 WeakPolarHBondContact O-CD 3.42Å; P449-L452 WeakPolarHBondContact O-CB 3.1Å; P449-L452 PolarHBondContact O-N 2.97Å; P449-A453 PolarHBondContact O-N 3.4Å; P449-A453 VanDerWaalsContact O-N 3.07Å; P449-T610 HydrophobicContact CB-CG2 4Å
450F96.1Very high94.8Very high3 Ų321 Ų211%0.01313%0.126CC..Hα-helixtrans-72-39.8176.8-177.4-83.7000111.6L262 P370 F374 N447 M448 L452 A453 L454 I471 F475 L478 L479L262-F450 HydrophobicContact CD1-CD1 4.19Å; L262-F450 HydrophobicContact CD1-CE1 3.8Å; P370-F450 HydrophobicContact CB-CB 4Å; P370-F450 HydrophobicContact CB-CD2 4.09Å; P370-F450 HydrophobicContact CB-CG 4.34Å; P370-F450 HydrophobicContact CG-CB 3.56Å; P370-F450 HydrophobicContact CG-CG 4.25Å; F374-F450 HydrophobicContact CE1-CD1 4.2Å; F374-F450 HydrophobicContact CE1-CG 4.22Å; F374-F450 HydrophobicContact CE2-CE2 4.31Å; F374-F450 AromaticContact CZ-CD1 3.9Å; F374-F450 HydrophobicContact CZ-CD1 3.9Å; F374-F450 AromaticContact CZ-CD2 3.78Å; F374-F450 HydrophobicContact CZ-CD2 3.78Å; F374-F450 AromaticContact CZ-CE1 3.9Å; F374-F450 HydrophobicContact CZ-CE1 3.9Å; F374-F450 AromaticContact CZ-CE2 3.75Å; F374-F450 HydrophobicContact CZ-CE2 3.75Å; F374-F450 AromaticContact CZ-CG 3.86Å; F374-F450 HydrophobicContact CZ-CG 3.86Å; F374-F450 AromaticContact CZ-CZ 3.83Å; F374-F450 HydrophobicContact CZ-CZ 3.83Å; N447-F450 WeakPolarHBondContact O-CA 3.48Å; N447-F450 WeakPolarHBondContact O-CB 3.23Å; N447-F450 PolarHBondContact O-N 2.92Å; M448-F450 PolarHBondContact O-N 2.83Å; F450-L452 VanDerWaalsContact C-N 3.33Å; F450-L452 PolarHBondContact O-N 3.4Å; F450-A453 WeakPolarHBondContact O-CB 3.36Å; F450-A453 PolarHBondContact O-N 2.84Å; F450-L454 WeakPolarHBondContact O-CB 3.39Å; F450-L454 PolarHBondContact O-N 3.03Å; F450-I471 HydrophobicContact CE1-CD1 4.21Å; F450-I471 HydrophobicContact CE1-CG2 4.31Å; F450-I471 HydrophobicContact CZ-CG2 3.71Å; F450-F475 AromaticContact CE2-CD2 3.95Å; F450-F475 HydrophobicContact CE2-CD2 3.95Å; F450-F475 HydrophobicContact CE2-CE2 4.01Å; F450-L478 HydrophobicContact CD2-CB 3.87Å; F450-L478 HydrophobicContact CE1-CD1 4.37Å; F450-L478 HydrophobicContact CE2-CB 3.32Å; F450-L478 HydrophobicContact CE2-CD1 3.97Å; F450-L478 HydrophobicContact CE2-CG 4.27Å; F450-L478 HydrophobicContact CZ-CB 3.79Å; F450-L478 HydrophobicContact CZ-CD1 3.54Å; F450-L478 HydrophobicContact CZ-CG 4.27Å; F450-L479 HydrophobicContact CD2-CD2 4.37Å
451L96.9Very high94.7Very high0 Ų022.6 Ų22.60%014%0.143CC..Hα-helixtrans-62.1-40.6172.7-65.9170.8000111.7L262 I263 A363 L436 N447 M448 L454 C455L262-L451 HydrophobicContact CB-CD2 4.3Å; I263-L451 HydrophobicContact CG1-CD2 4.12Å; A363-L451 HydrophobicContact CB-CD1 4.11Å; A363-L451 HydrophobicContact CB-CD2 4.25Å; L436-L451 HydrophobicContact CD1-CB 3.82Å; L436-L451 HydrophobicContact CD2-CB 4.18Å; L436-L451 HydrophobicContact CD2-CD1 4.06Å; N447-L451 PolarHBondContact O-N 2.8Å; M448-L451 PolarHBondContact O-N 2.82Å; L451-L454 PolarHBondContact O-N 2.89Å; L451-C455 PolarHBondContact O-N 2.79Å; L451-C455 PolarHBondContact O-SG 2.96Å; L451-C455 VanDerWaalsContact O-SG 3.36Å
452L94.9Very high94.5Very high0 Ų025.4 Ų25.40%016%0.161CC..Hα-helixtrans-59.2-46.4173.4-82.1168.9000112L436 A437 M448 P449 F450 L454 C455 Q456 S611L436-L452 HydrophobicContact CB-CD2 3.54Å; L436-L452 HydrophobicContact CB-CG 3.83Å; A437-L452 HydrophobicContact CB-CD2 3.98Å; M448-L452 HydrophobicContact CE-CD1 4.1Å; M448-L452 PolarHBondContact O-N 2.91Å; P449-L452 WeakPolarHBondContact O-CB 3.1Å; P449-L452 PolarHBondContact O-N 2.97Å; F450-L452 VanDerWaalsContact C-N 3.33Å; F450-L452 PolarHBondContact O-N 3.4Å; L452-L454 VanDerWaalsContact C-N 3.3Å; L452-L454 PolarHBondContact O-N 2.89Å; L452-C455 PolarHBondContact O-N 3.24Å; L452-Q456 WeakPolarHBondContact O-CG 3.49Å; L452-Q456 PolarHBondContact O-N 2.71Å; L452-Q456 VanDerWaalsContact O-N 3.15Å; L452-S611 WeakPolarHBondContact CD1-OG 3.33Å
453A95.2Very high94.2Very high7 Ų730.2 Ų30.26%0.05818%0.183CC..Hα-helixtrans-57.8-45.9175.800000111.4P449 F450 C455 Q456 H457 L478 L480P449-A453 PolarHBondContact O-N 3.4Å; P449-A453 VanDerWaalsContact O-N 3.07Å; F450-A453 WeakPolarHBondContact O-CB 3.36Å; F450-A453 PolarHBondContact O-N 2.84Å; A453-C455 PolarHBondContact O-N 3.32Å; A453-Q456 CarbonylContact O-C 3.45Å; A453-Q456 PolarHBondContact O-N 3.29Å; A453-Q456 VanDerWaalsContact O-N 3.1Å; A453-H457 PolarHBondContact O-N 2.79Å; A453-L478 HydrophobicContact CB-CB 4.48Å; A453-L478 HydrophobicContact CB-CD2 4.17Å; A453-L478 VanDerWaalsContact CB-O 3.3Å; A453-L478 WeakPolarHBondContact CB-O 3.27Å; A453-L480 HydrophobicContact CB-CB 4.47Å; A453-L480 HydrophobicContact CB-CD1 3.42Å; A453-L480 VanDerWaalsContact CB-CD1 3.42Å; A453-L480 HydrophobicContact CB-CG 3.54Å
454L95.7Very high93.8Very high0 Ų030 Ų300%018%0.182CC..Hα-helixtrans-64.2-41.8-179.9-167.359.2000111.7A255 I263 F450 L451 L452 Q456 H457 L460 F470 I471 L478A255-L454 HydrophobicContact CB-CD2 4.31Å; I263-L454 HydrophobicContact CD1-CB 4.19Å; I263-L454 HydrophobicContact CD1-CD2 3.63Å; I263-L454 HydrophobicContact CD1-CG 3.89Å; I263-L454 HydrophobicContact CG1-CD2 3.97Å; F450-L454 WeakPolarHBondContact O-CB 3.39Å; F450-L454 PolarHBondContact O-N 3.03Å; L451-L454 PolarHBondContact O-N 2.89Å; L452-L454 VanDerWaalsContact C-N 3.3Å; L452-L454 PolarHBondContact O-N 2.89Å; L454-Q456 PolarHBondContact O-N 2.8Å; L454-H457 WeakPolarHBondContact O-CB 3.45Å; L454-H457 PolarHBondContact O-N 2.68Å; L454-H457 VanDerWaalsContact O-N 3.13Å; L454-L460 HydrophobicContact CG-CD2 4.29Å; L454-L460 WeakPolarHBondContact O-CB 3.43Å; L454-L460 VanDerWaalsContact O-CD2 3.23Å; L454-L460 WeakPolarHBondContact O-CD2 3.42Å; L454-F470 HydrophobicContact CD1-CD1 4.28Å; L454-F470 HydrophobicContact CD1-CE1 3.75Å; L454-I471 HydrophobicContact CD2-CD1 4.03Å; L454-L478 HydrophobicContact CB-CD2 4.27Å; L454-L478 HydrophobicContact CD1-CD1 4.13Å; L454-L478 HydrophobicContact CD1-CD2 3.95Å
455C95.1Very high93.6Very high8 Ų831.2 Ų31.25%0.05419%0.191CC..Hα-helixtrans-61.6-25.7173.6-72.50000113.9L429 H433 L451 L452 A453L429-C455 HydrophobicContact CD1-CB 4.3Å; H433-C455 HydrophobicContact CB-CB 4.24Å; L451-C455 PolarHBondContact O-N 2.79Å; L451-C455 PolarHBondContact O-SG 2.96Å; L451-C455 VanDerWaalsContact O-SG 3.36Å; L452-C455 PolarHBondContact O-N 3.24Å; A453-C455 PolarHBondContact O-N 3.32Å
456Q92.7Very high93.7Very high100 Ų10030.7 Ų30.747%0.46718%0.183SC..Hα-helixtrans-92.4-10.5178.4-68.5174.3-31.500112.9H433 L452 A453 L454H433-Q456 PolarHBondContact NE2-NE2 3.31Å; L452-Q456 WeakPolarHBondContact O-CG 3.49Å; L452-Q456 PolarHBondContact O-N 2.71Å; L452-Q456 VanDerWaalsContact O-N 3.15Å; A453-Q456 CarbonylContact O-C 3.45Å; A453-Q456 PolarHBondContact O-N 3.29Å; A453-Q456 VanDerWaalsContact O-N 3.1Å; L454-Q456 PolarHBondContact O-N 2.8Å
457H95.2Very high93.6Very high27 Ų2731.8 Ų31.813%0.12519%0.185CC..  trans-70.5134.8-176.6-160-79.6000111.5A453 L454 D459 L460 A461 F470 E477 L478A453-H457 PolarHBondContact O-N 2.79Å; L454-H457 WeakPolarHBondContact O-CB 3.45Å; L454-H457 PolarHBondContact O-N 2.68Å; L454-H457 VanDerWaalsContact O-N 3.13Å; H457-D459 VanDerWaalsContact C-N 3.28Å; H457-D459 IonicContact CE1-OD2 3.2Å; H457-D459 PolarHBondContact CE1-OD2 2.73Å; H457-D459 VanDerWaalsContact CE1-OD2 3.3Å; H457-D459 PolarHBondContact ND1-N 3.38Å; H457-D459 VanDerWaalsContact ND1-N 3.19Å; H457-D459 IonicContact ND1-OD2 2.72Å; H457-D459 PolarHBondContact O-N 2.74Å; H457-L460 PolarHBondContact O-N 2.98Å; H457-L460 VanDerWaalsContact O-N 3.13Å; H457-A461 PolarHBondContact O-N 3.04Å; H457-A461 VanDerWaalsContact O-N 3.15Å; H457-F470 AromaticContact CE1-CE2 3.95Å; H457-F470 AromaticContact CE1-CZ 3.48Å; H457-F470 VanDerWaalsContact CE1-CZ 3.48Å; H457-F470 WeakPolarHBondContact CE1-CZ 3.28Å; H457-F470 AromaticContact CG-CZ 3.87Å; H457-F470 AromaticContact ND1-CZ 3.39Å; H457-F470 WeakPolarHBondContact ND1-CZ 3.2Å; H457-F470 AromaticContact NE2-CZ 3.98Å; H457-E477 IonicContact NE2-OE2 3.23Å; H457-L478 HydrophobicContact CB-CD2 4.4Å
458T94Very high93.5Very high101 Ų10132.5 Ų32.562%0.6219%0.189SC*.Hα-helixtrans-58.9-37.4-177.236.90000113A461 T462T458-A461 PolarHBondContact O-N 3.15Å; T458-T462 WeakPolarHBondContact O-CB 3.13Å; T458-T462 PolarHBondContact O-N 3.19Å; T458-T462 PolarHBondContact O-OG1 2.93Å
459D93Very high93.3Very high45 Ų4536 Ų3624%0.24121%0.205CC..Hα-helixtrans-71.6-29.1178.2-69.9-46.7000113.9H457 S465 M466 F470H457-D459 VanDerWaalsContact C-N 3.28Å; H457-D459 IonicContact CE1-OD2 3.2Å; H457-D459 PolarHBondContact CE1-OD2 2.73Å; H457-D459 VanDerWaalsContact CE1-OD2 3.3Å; H457-D459 PolarHBondContact ND1-N 3.38Å; H457-D459 VanDerWaalsContact ND1-N 3.19Å; H457-D459 IonicContact ND1-OD2 2.72Å; H457-D459 PolarHBondContact O-N 2.74Å; D459-S465 WeakPolarHBondContact O-CB 3.3Å; D459-M466 HydrophobicContact CB-SD 4.46Å; D459-F470 HydrophobicContact CB-CD2 4.33Å; D459-F470 HydrophobicContact CB-CE2 3.5Å; D459-F470 VanDerWaalsContact CB-CE2 3.5Å; D459-F470 HydrophobicContact CB-CZ 3.98Å
460L92.7Very high93.4Very high2 Ų234.2 Ų34.21%0.0119%0.194CC..Hα-helixtrans-72-39.8171.2-172.670.6000110.3I263 R425 L429 L454 H457 T462 M466I263-L460 HydrophobicContact CD1-CD2 3.88Å; R425-L460 PolarHBondContact NH1-O 3.44Å; R425-L460 PolarHBondContact NH2-O 3.17Å; L429-L460 HydrophobicContact CD1-CD2 3.81Å; L429-L460 HydrophobicContact CD1-CG 4.47Å; L454-L460 HydrophobicContact CG-CD2 4.29Å; L454-L460 WeakPolarHBondContact O-CB 3.43Å; L454-L460 VanDerWaalsContact O-CD2 3.23Å; L454-L460 WeakPolarHBondContact O-CD2 3.42Å; H457-L460 PolarHBondContact O-N 2.98Å; H457-L460 VanDerWaalsContact O-N 3.13Å; L460-T462 VanDerWaalsContact C-N 3.26Å; L460-T462 PolarHBondContact O-N 3.18Å; L460-M466 HydrophobicContact CB-SD 4Å; L460-M466 HydrophobicContact CD1-CE 4.26Å; L460-M466 HydrophobicContact CD1-CG 3.72Å; L460-M466 HydrophobicContact CD1-SD 3.81Å
461A92.6Very high93.3Very high52 Ų5234.2 Ų34.243%0.4319%0.194SC..Hα-helixtrans-64.4-31.2176.100000112.4R425 L429 H457 T458R425-A461 PolarHBondContact NH1-O 2.85Å; L429-A461 HydrophobicContact CD2-CB 4.3Å; H457-A461 PolarHBondContact O-N 3.04Å; H457-A461 VanDerWaalsContact O-N 3.15Å; T458-A461 PolarHBondContact O-N 3.15Å
462T92.8Very high93.1Very high71 Ų7137 Ų3744%0.43622%0.223SC..SBendtrans-82.2123.2178.8-54.80000111.2T458 L460 G464 S465T458-T462 WeakPolarHBondContact O-CB 3.13Å; T458-T462 PolarHBondContact O-N 3.19Å; T458-T462 PolarHBondContact O-OG1 2.93Å; L460-T462 VanDerWaalsContact C-N 3.26Å; L460-T462 PolarHBondContact O-N 3.18Å; T462-G464 PolarHBondContact O-N 2.96Å; T462-S465 WeakPolarHBondContact CB-OG 3.44Å; T462-S465 VanDerWaalsContact CG2-OG 3.25Å; T462-S465 WeakPolarHBondContact CG2-OG 3.39Å; T462-S465 PolarHBondContact O-N 3.48Å
463E88.4Confident93Very high102 Ų10242.1 Ų42.148%0.47725%0.25SS..THydrogen-bonded Turntrans-59.9124.9-178.4-71.8-172.1-172.200112.7P269 S465P269-E463 HydrophobicContact CB-CB 4.01Å; P269-E463 HydrophobicContact CB-CG 4.02Å; E463-S465 VanDerWaalsContact C-N 3.29Å; E463-S465 PolarHBondContact O-N 2.84Å
464G85.3Confident93Very high22 Ų2243.6 Ų43.623%0.22726%0.256CS..THydrogen-bonded Turntrans78.82174.300000115.7T462 M466T462-G464 PolarHBondContact O-N 2.96Å; G464-M466 VanDerWaalsContact C-N 3.32Å
465S92.1Very high92.9Very high39 Ų3946 Ų4627%0.27327%0.266SS..  trans-76.7-16.1177.3-69.10000114D459 T462 E463 Y467D459-S465 WeakPolarHBondContact O-CB 3.3Å; T462-S465 WeakPolarHBondContact CB-OG 3.44Å; T462-S465 VanDerWaalsContact CG2-OG 3.25Å; T462-S465 WeakPolarHBondContact CG2-OG 3.39Å; T462-S465 PolarHBondContact O-N 3.48Å; E463-S465 VanDerWaalsContact C-N 3.29Å; E463-S465 PolarHBondContact O-N 2.84Å; S465-Y467 WeakPolarHBondContact O-CD1 3.4Å
466M94.2Very high92.7Very high7 Ų753.9 Ų53.93%0.03430%0.303CS..  trans-72.7143.7178.2-63.7-58.1-59.500112R231 A255 D459 L460 G464 F470R231-M466 WeakPolarHBondContact CG-O 3.49Å; A255-M466 HydrophobicContact CB-CE 3.76Å; D459-M466 HydrophobicContact CB-SD 4.46Å; L460-M466 HydrophobicContact CB-SD 4Å; L460-M466 HydrophobicContact CD1-CE 4.26Å; L460-M466 HydrophobicContact CD1-CG 3.72Å; L460-M466 HydrophobicContact CD1-SD 3.81Å; G464-M466 VanDerWaalsContact C-N 3.32Å; M466-F470 HydrophobicContact CE-CB 4Å; M466-F470 HydrophobicContact CE-CD1 3.3Å; M466-F470 HydrophobicContact CE-CD2 4.35Å; M466-F470 HydrophobicContact CE-CE1 3.9Å; M466-F470 HydrophobicContact CE-CG 3.59Å; M466-F470 HydrophobicContact SD-CD1 4.04Å; M466-F470 HydrophobicContact SD-CD2 4.28Å; M466-F470 HydrophobicContact SD-CE1 4.21Å; M466-F470 HydrophobicContact SD-CE2 4.45Å; M466-F470 HydrophobicContact SD-CG 4.1Å; M466-F470 HydrophobicContact SD-CZ 4.43Å
467Y94.6Very high92.7Very high39 Ų3955 Ų5515%0.15331%0.308CS..  trans-147.3162.6174.256.9-83.6000110.4S229 P230 S465 Q469 F470 D473S229-Y467 WeakPolarHBondContact O-CB 3.3Å; P230-Y467 WeakPolarHBondContact O-CA 3.31Å; S465-Y467 WeakPolarHBondContact O-CD1 3.4Å; Y467-Q469 HydrophobicContact CD2-CB 3.94Å; Y467-Q469 HydrophobicContact CE2-CB 3.85Å; Y467-Q469 PolarHBondContact O-N 2.94Å; Y467-F470 HydrophobicContact CD1-CB 4.17Å; Y467-F470 HydrophobicContact CD1-CD2 4.38Å; Y467-F470 HydrophobicContact CD2-CB 4.32Å; Y467-F470 HydrophobicContact CE1-CB 4.01Å; Y467-F470 AromaticContact CE1-CD2 3.76Å; Y467-F470 HydrophobicContact CE1-CD2 3.76Å; Y467-F470 HydrophobicContact CE1-CG 4.4Å; Y467-F470 HydrophobicContact CE2-CB 4.16Å; Y467-F470 VanDerWaalsContact CE2-N 3.31Å; Y467-F470 HydrophobicContact CG-CB 4.3Å; Y467-F470 WeakPolarHBondContact O-CB 3.31Å; Y467-F470 PolarHBondContact O-N 3.27Å; Y467-D473 VanDerWaalsContact CE2-OD2 3.27Å; Y467-D473 WeakPolarHBondContact CE2-OD2 3.39Å; Y467-D473 PolarHBondContact OH-OD2 2.93Å; Y467-D473 VanDerWaalsContact OH-OD2 3.13Å
468T93.2Very high92.6Very high16 Ų1653.8 Ų53.810%0.09830%0.302CS..THydrogen-bonded Turntrans-64.6-14.4-167.852.50000116.7P230 H232 Q256P230-T468 HydrophobicContact CG-CG2 4.43Å; P230-T468 WeakPolarHBondContact CG-OG1 3.24Å; P230-T468 WeakPolarHBondContact O-CG2 3.43Å; P230-T468 PolarHBondContact O-N 2.98Å; H232-T468 HydrophobicContact CB-CG2 3.71Å; Q256-T468 VanDerWaalsContact NE2-CG2 3.29Å
469Q91.7Very high92.5Very high78 Ų7851.3 Ų51.336%0.36429%0.285SS..THydrogen-bonded Turntrans-103.1-6.2178.1-71.369.930.100112.4Y467 I471 G472 D473Y467-Q469 HydrophobicContact CD2-CB 3.94Å; Y467-Q469 HydrophobicContact CE2-CB 3.85Å; Y467-Q469 PolarHBondContact O-N 2.94Å; Q469-I471 VanDerWaalsContact C-N 3.28Å; Q469-I471 PolarHBondContact O-N 2.83Å; Q469-I471 VanDerWaalsContact O-N 3.11Å; Q469-G472 WeakPolarHBondContact O-CA 3.4Å; Q469-G472 PolarHBondContact O-N 3.04Å; Q469-D473 PolarHBondContact O-N 3.23Å; Q469-D473 VanDerWaalsContact O-N 3.07Å
470F95.3Very high91.9Very high0 Ų051.5 Ų51.50%029%0.285CS..Hα-helixtrans-48.5-47.5-172.2175.3-87.7000112.9L454 H457 D459 M466 Y467 G472 D473 H474 L478L454-F470 HydrophobicContact CD1-CD1 4.28Å; L454-F470 HydrophobicContact CD1-CE1 3.75Å; H457-F470 AromaticContact CE1-CE2 3.95Å; H457-F470 AromaticContact CE1-CZ 3.48Å; H457-F470 VanDerWaalsContact CE1-CZ 3.48Å; H457-F470 WeakPolarHBondContact CE1-CZ 3.28Å; H457-F470 AromaticContact CG-CZ 3.87Å; H457-F470 AromaticContact ND1-CZ 3.39Å; H457-F470 WeakPolarHBondContact ND1-CZ 3.2Å; H457-F470 AromaticContact NE2-CZ 3.98Å; D459-F470 HydrophobicContact CB-CD2 4.33Å; D459-F470 HydrophobicContact CB-CE2 3.5Å; D459-F470 VanDerWaalsContact CB-CE2 3.5Å; D459-F470 HydrophobicContact CB-CZ 3.98Å; M466-F470 HydrophobicContact CE-CB 4Å; M466-F470 HydrophobicContact CE-CD1 3.3Å; M466-F470 HydrophobicContact CE-CD2 4.35Å; M466-F470 HydrophobicContact CE-CE1 3.9Å; M466-F470 HydrophobicContact CE-CG 3.59Å; M466-F470 HydrophobicContact SD-CD1 4.04Å; M466-F470 HydrophobicContact SD-CD2 4.28Å; M466-F470 HydrophobicContact SD-CE1 4.21Å; M466-F470 HydrophobicContact SD-CE2 4.45Å; M466-F470 HydrophobicContact SD-CG 4.1Å; M466-F470 HydrophobicContact SD-CZ 4.43Å; Y467-F470 HydrophobicContact CD1-CB 4.17Å; Y467-F470 HydrophobicContact CD1-CD2 4.38Å; Y467-F470 HydrophobicContact CD2-CB 4.32Å; Y467-F470 HydrophobicContact CE1-CB 4.01Å; Y467-F470 AromaticContact CE1-CD2 3.76Å; Y467-F470 HydrophobicContact CE1-CD2 3.76Å; Y467-F470 HydrophobicContact CE1-CG 4.4Å; Y467-F470 HydrophobicContact CE2-CB 4.16Å; Y467-F470 VanDerWaalsContact CE2-N 3.31Å; Y467-F470 HydrophobicContact CG-CB 4.3Å; Y467-F470 WeakPolarHBondContact O-CB 3.31Å; Y467-F470 PolarHBondContact O-N 3.27Å; F470-G472 VanDerWaalsContact C-N 3.3Å; F470-G472 PolarHBondContact O-N 2.91Å; F470-D473 PolarHBondContact O-N 3.33Å; F470-H474 AromaticContact CD2-CD2 3.51Å; F470-H474 AromaticContact CD2-NE2 3.89Å; F470-H474 HydrophobicContact CE1-CB 4.31Å; F470-H474 AromaticContact CE2-CD2 3.31Å; F470-H474 WeakPolarHBondContact CE2-CD2 3.05Å; F470-H474 AromaticContact CE2-CG 3.86Å; F470-H474 AromaticContact CE2-NE2 3.59Å; F470-H474 HydrophobicContact CZ-CB 4.12Å; F470-H474 AromaticContact CZ-CD2 3.77Å; F470-H474 AromaticContact CZ-CG 3.87Å; F470-H474 WeakPolarHBondContact O-CB 3.37Å; F470-H474 PolarHBondContact O-CD2 2.65Å; F470-H474 VanDerWaalsContact O-CD2 3.27Å; F470-H474 PolarHBondContact O-N 2.79Å; F470-L478 HydrophobicContact CE1-CD1 4.3Å
471I94.7Very high91.2Very high3 Ų355.4 Ų55.42%0.01530%0.304CS..Hα-helixtrans-64.7-35-178.7-69.7-175.8000112.4R257 L262 F450 L454 Q469 F475 L478R257-I471 HydrophobicContact CB-CG2 3.97Å; R257-I471 HydrophobicContact CG-CG2 4.23Å; L262-I471 HydrophobicContact CD1-CD1 3.79Å; L262-I471 HydrophobicContact CG-CD1 4.45Å; F450-I471 HydrophobicContact CE1-CD1 4.21Å; F450-I471 HydrophobicContact CE1-CG2 4.31Å; F450-I471 HydrophobicContact CZ-CG2 3.71Å; L454-I471 HydrophobicContact CD2-CD1 4.03Å; Q469-I471 VanDerWaalsContact C-N 3.28Å; Q469-I471 PolarHBondContact O-N 2.83Å; Q469-I471 VanDerWaalsContact O-N 3.11Å; I471-F475 VanDerWaalsContact O-CA 3.3Å; I471-F475 WeakPolarHBondContact O-CA 3.19Å; I471-F475 WeakPolarHBondContact O-CB 3.38Å; I471-F475 PolarHBondContact O-N 2.72Å; I471-F475 VanDerWaalsContact O-N 3.14Å; I471-L478 HydrophobicContact CG1-CD1 4.42Å
472G92.2Very high90.5Very high58 Ų5853.2 Ų53.260%0.59829%0.285SS*.Hα-helixtrans-68.1-42.5175.400000111.7Q469 F470Q469-G472 WeakPolarHBondContact O-CA 3.4Å; Q469-G472 PolarHBondContact O-N 3.04Å; F470-G472 VanDerWaalsContact C-N 3.3Å; F470-G472 PolarHBondContact O-N 2.91Å
473D92.9Very high89.9Confident107 Ų10758.4 Ų58.457%0.57230%0.302SS*.Hα-helixtrans-71.9-29.8-176.9-64-16.6000112.5Y467 Q469 F470Y467-D473 VanDerWaalsContact CE2-OD2 3.27Å; Y467-D473 WeakPolarHBondContact CE2-OD2 3.39Å; Y467-D473 PolarHBondContact OH-OD2 2.93Å; Y467-D473 VanDerWaalsContact OH-OD2 3.13Å; Q469-D473 PolarHBondContact O-N 3.23Å; Q469-D473 VanDerWaalsContact O-N 3.07Å; F470-D473 PolarHBondContact O-N 3.33Å
474H94.1Very high89.9Confident38 Ų3857.1 Ų57.118%0.17630%0.298CS..THydrogen-bonded Turntrans-110.620-178.3-64.2-89.4000113.4F470 E476 E477 L478F470-H474 AromaticContact CD2-CD2 3.51Å; F470-H474 AromaticContact CD2-NE2 3.89Å; F470-H474 HydrophobicContact CE1-CB 4.31Å; F470-H474 AromaticContact CE2-CD2 3.31Å; F470-H474 WeakPolarHBondContact CE2-CD2 3.05Å; F470-H474 AromaticContact CE2-CG 3.86Å; F470-H474 AromaticContact CE2-NE2 3.59Å; F470-H474 HydrophobicContact CZ-CB 4.12Å; F470-H474 AromaticContact CZ-CD2 3.77Å; F470-H474 AromaticContact CZ-CG 3.87Å; F470-H474 WeakPolarHBondContact O-CB 3.37Å; F470-H474 PolarHBondContact O-CD2 2.65Å; F470-H474 VanDerWaalsContact O-CD2 3.27Å; F470-H474 PolarHBondContact O-N 2.79Å; H474-E476 PolarHBondContact O-N 3.24Å; H474-E477 IonicContact CE1-OE2 2.66Å; H474-E477 IonicContact CG-OE2 4Å; H474-E477 IonicContact ND1-OE2 3Å; H474-E477 PolarHBondContact ND1-OE2 3.14Å; H474-E477 PolarHBondContact O-N 3.22Å; H474-L478 HydrophobicContact CB-CD1 4.34Å; H474-L478 WeakPolarHBondContact O-CG 3.45Å; H474-L478 PolarHBondContact O-N 3.35Å
475F93.4Very high90.2Very high51 Ų5163 Ų6322%0.22432%0.32CS..Hα-helixtrans-58.6-46.8-169.6-178.4-122.3000113.3F374 F450 I471 E477 L478 L479F374-F475 HydrophobicContact CD2-CE2 4.12Å; F374-F475 HydrophobicContact CD2-CZ 4.43Å; F374-F475 HydrophobicContact CE2-CD2 4.18Å; F374-F475 AromaticContact CE2-CE2 3.38Å; F374-F475 HydrophobicContact CE2-CE2 3.38Å; F374-F475 HydrophobicContact CE2-CZ 4.1Å; F374-F475 HydrophobicContact CZ-CE2 4.21Å; F450-F475 AromaticContact CE2-CD2 3.95Å; F450-F475 HydrophobicContact CE2-CD2 3.95Å; F450-F475 HydrophobicContact CE2-CE2 4.01Å; I471-F475 VanDerWaalsContact O-CA 3.3Å; I471-F475 WeakPolarHBondContact O-CA 3.19Å; I471-F475 WeakPolarHBondContact O-CB 3.38Å; I471-F475 PolarHBondContact O-N 2.72Å; I471-F475 VanDerWaalsContact O-N 3.14Å; F475-E477 VanDerWaalsContact C-N 3.3Å; F475-E477 PolarHBondContact O-N 3.07Å; F475-L478 PolarHBondContact O-N 2.87Å; F475-L479 HydrophobicContact CD1-CD1 4.34Å; F475-L479 HydrophobicContact CE1-CD1 3.79Å; F475-L479 HydrophobicContact CE1-CG 4.42Å; F475-L479 HydrophobicContact CE2-CD1 4.34Å; F475-L479 HydrophobicContact CE2-CD2 3.87Å; F475-L479 HydrophobicContact CE2-CG 4.13Å; F475-L479 HydrophobicContact CZ-CD1 3.79Å; F475-L479 HydrophobicContact CZ-CD2 3.88Å; F475-L479 HydrophobicContact CZ-CG 4.07Å; F475-L479 PolarHBondContact O-N 3.11Å
476E92.1Very high90.1Very high174 Ų17465.6 Ų65.681%0.81333%0.327SS*.Hα-helixtrans-63.7-35.3-179.2-63.9-172.8173.600112.5H474 L478 L479H474-E476 PolarHBondContact O-N 3.24Å; E476-L478 VanDerWaalsContact C-N 3.29Å; E476-L478 PolarHBondContact O-N 3.14Å; E476-L479 PolarHBondContact O-N 3.27Å
477E91.5Very high90Very high123 Ų12368.2 Ų68.258%0.57534%0.337SS*.Hα-helixtrans-68-32178.1-61.4177.4172.500111.6H457 H474 F475H457-E477 IonicContact NE2-OE2 3.23Å; H474-E477 IonicContact CE1-OE2 2.66Å; H474-E477 IonicContact CG-OE2 4Å; H474-E477 IonicContact ND1-OE2 3Å; H474-E477 PolarHBondContact ND1-OE2 3.14Å; H474-E477 PolarHBondContact O-N 3.22Å; F475-E477 VanDerWaalsContact C-N 3.3Å; F475-E477 PolarHBondContact O-N 3.07Å
478L93.6Very high90Very high2 Ų267.1 Ų67.11%0.0133%0.334CS..Hα-helixtrans-83.1-9.5-179.3-64.8169000113.4F450 A453 L454 H457 F470 I471 H474 F475 E476 L480F450-L478 HydrophobicContact CD2-CB 3.87Å; F450-L478 HydrophobicContact CE1-CD1 4.37Å; F450-L478 HydrophobicContact CE2-CB 3.32Å; F450-L478 HydrophobicContact CE2-CD1 3.97Å; F450-L478 HydrophobicContact CE2-CG 4.27Å; F450-L478 HydrophobicContact CZ-CB 3.79Å; F450-L478 HydrophobicContact CZ-CD1 3.54Å; F450-L478 HydrophobicContact CZ-CG 4.27Å; A453-L478 HydrophobicContact CB-CB 4.48Å; A453-L478 HydrophobicContact CB-CD2 4.17Å; A453-L478 VanDerWaalsContact CB-O 3.3Å; A453-L478 WeakPolarHBondContact CB-O 3.27Å; L454-L478 HydrophobicContact CB-CD2 4.27Å; L454-L478 HydrophobicContact CD1-CD1 4.13Å; L454-L478 HydrophobicContact CD1-CD2 3.95Å; H457-L478 HydrophobicContact CB-CD2 4.4Å; F470-L478 HydrophobicContact CE1-CD1 4.3Å; I471-L478 HydrophobicContact CG1-CD1 4.42Å; H474-L478 HydrophobicContact CB-CD1 4.34Å; H474-L478 WeakPolarHBondContact O-CG 3.45Å; H474-L478 PolarHBondContact O-N 3.35Å; F475-L478 PolarHBondContact O-N 2.87Å; E476-L478 VanDerWaalsContact C-N 3.29Å; E476-L478 PolarHBondContact O-N 3.14Å; L478-L480 VanDerWaalsContact C-N 3.31Å; L478-L480 PolarHBondContact O-N 2.95Å
479L91.4Very high90Very high48 Ų4867.1 Ų67.125%0.25133%0.333SS..  trans-82.973.2173.8-67.3-179.3000111.4P370 L371 F450 F475 E476P370-L479 HydrophobicContact CB-CD2 3.72Å; P370-L479 WeakPolarHBondContact O-CD2 3.42Å; L371-L479 HydrophobicContact CD2-CD2 4.42Å; F450-L479 HydrophobicContact CD2-CD2 4.37Å; F475-L479 HydrophobicContact CD1-CD1 4.34Å; F475-L479 HydrophobicContact CE1-CD1 3.79Å; F475-L479 HydrophobicContact CE1-CG 4.42Å; F475-L479 HydrophobicContact CE2-CD1 4.34Å; F475-L479 HydrophobicContact CE2-CD2 3.87Å; F475-L479 HydrophobicContact CE2-CG 4.13Å; F475-L479 HydrophobicContact CZ-CD1 3.79Å; F475-L479 HydrophobicContact CZ-CD2 3.88Å; F475-L479 HydrophobicContact CZ-CG 4.07Å; F475-L479 PolarHBondContact O-N 3.11Å; E476-L479 PolarHBondContact O-N 3.27Å
480L81.1Confident90.2Very high49 Ų4963.5 Ų63.526%0.25732%0.316SS..  trans-64.8137.6176.9-69.7-179.8000112.4A453 L478 P609 T610A453-L480 HydrophobicContact CB-CB 4.47Å; A453-L480 HydrophobicContact CB-CD1 3.42Å; A453-L480 VanDerWaalsContact CB-CD1 3.42Å; A453-L480 HydrophobicContact CB-CG 3.54Å; L478-L480 VanDerWaalsContact C-N 3.31Å; L478-L480 PolarHBondContact O-N 2.95Å; L480-P609 HydrophobicContact CD1-CB 4.15Å; L480-T610 HydrophobicContact CB-CG2 3.75Å; L480-T610 WeakPolarHBondContact O-CG2 3.22Å
481Q77.9Confident90.2Very high84 Ų8463.5 Ų63.539%0.39332%0.316SS..  trans-139.2153.1167.7-67.8-172.2-22.800109.4L371 K483L371-Q481 HydrophobicContact CD2-CG 4.26Å; Q481-K483 PolarHBondContact O-N 2.99Å; Q481-K483 VanDerWaalsContact O-N 3.09Å
482C78.4Confident90.3Very high6 Ų663.3 Ų63.34%0.04132%0.315CS..  trans-71.5102.3170-171.30000108.6W536 V613C482-W536 WeakPolarHBondContact O-CZ2 3.33Å; C482-V613 HydrophobicContact CB-CG2 4.11Å
483K80.1Confident90.5Very high180 Ų18060.6 Ų60.678%0.78329%0.287SS*.  trans-97.2-15.2179.7-65.6-177-179.1177.20113.4Q481 E485Q481-K483 PolarHBondContact O-N 2.99Å; Q481-K483 VanDerWaalsContact O-N 3.09Å; K483-E485 PolarHBondContact O-N 2.91Å
484D89Confident90.7Very high76 Ų7655.5 Ų55.541%0.40626%0.26SS..  trans-76.9116.7178.4-175-50.8000109.7Q486 W487 L488D484-Q486 VanDerWaalsContact C-N 3.31Å; D484-Q486 PolarHBondContact O-N 3.47Å; D484-Q486 WeakPolarHBondContact OD1-CA 3.41Å; D484-Q486 VanDerWaalsContact OD1-CB 3.31Å; D484-Q486 WeakPolarHBondContact OD1-CB 3.3Å; D484-Q486 PolarHBondContact OD1-N 3.11Å; D484-W487 HydrophobicContact CB-CB 4.24Å; D484-W487 HydrophobicContact CB-CG 4.38Å; D484-W487 PolarHBondContact O-N 3.31Å; D484-W487 PolarHBondContact OD1-N 2.78Å; D484-W487 VanDerWaalsContact OD1-N 3.16Å; D484-L488 WeakPolarHBondContact O-CB 3.16Å; D484-L488 PolarHBondContact O-N 3.07Å
485E90.2Very high90.9Very high145 Ų14553.8 Ų53.868%0.67825%0.252SS*.Hα-helixtrans-62.2-37-176.3-171.6176.8179.800112.4K483 L488 N489K483-E485 PolarHBondContact O-N 2.91Å; E485-L488 PolarHBondContact O-N 2.84Å; E485-N489 WeakPolarHBondContact O-CB 3.5Å; E485-N489 VanDerWaalsContact O-CG 3.23Å; E485-N489 PolarHBondContact O-N 3.1Å; E485-N489 PolarHBondContact O-ND2 3.38Å
486Q90.9Very high91Very high93 Ų9351.3 Ų51.344%0.43524%0.241SC..Hα-helixtrans-65-44.9178.5-173.6-18035.200110.6D484 L488 N489 L490 Y561 Y585D484-Q486 VanDerWaalsContact C-N 3.31Å; D484-Q486 PolarHBondContact O-N 3.47Å; D484-Q486 WeakPolarHBondContact OD1-CA 3.41Å; D484-Q486 VanDerWaalsContact OD1-CB 3.31Å; D484-Q486 WeakPolarHBondContact OD1-CB 3.3Å; D484-Q486 PolarHBondContact OD1-N 3.11Å; Q486-L488 VanDerWaalsContact C-N 3.34Å; Q486-N489 PolarHBondContact O-N 3.49Å; Q486-L490 WeakPolarHBondContact O-CB 3.32Å; Q486-L490 PolarHBondContact O-N 2.96Å; Q486-Y561 HydrophobicContact CG-CE1 4.29Å; Q486-Y585 PolarHBondContact NE2-OH 3.23Å
487W92Very high91.1Very high63 Ų6343 Ų4324%0.23920%0.203CC..Hα-helixtrans-66.9-36176.9-73115.1000112.4D484 L490 A491 W494 F590 R607 F608D484-W487 HydrophobicContact CB-CB 4.24Å; D484-W487 HydrophobicContact CB-CG 4.38Å; D484-W487 PolarHBondContact O-N 3.31Å; D484-W487 PolarHBondContact OD1-N 2.78Å; D484-W487 VanDerWaalsContact OD1-N 3.16Å; W487-L490 HydrophobicContact CE3-CD2 3.88Å; W487-L490 HydrophobicContact CZ3-CD2 3.68Å; W487-L490 PolarHBondContact O-N 3.17Å; W487-A491 WeakPolarHBondContact O-CB 3.47Å; W487-A491 PolarHBondContact O-N 3.42Å; W487-W494 HydrophobicContact CZ3-CH2 4.4Å; W487-F590 AromaticContact CH2-CE1 3.92Å; W487-F590 HydrophobicContact CH2-CE1 3.92Å; W487-F590 AromaticContact CH2-CZ 3.98Å; W487-F590 HydrophobicContact CH2-CZ 3.98Å; W487-F590 HydrophobicContact CZ3-CE1 4.11Å; W487-F590 HydrophobicContact CZ3-CZ 4.2Å; W487-R607 HydrophobicContact CH2-CB 4.3Å; W487-R607 HydrophobicContact CH2-CG 4.25Å; W487-R607 HydrophobicContact CZ3-CB 4.22Å; W487-R607 HydrophobicContact CZ3-CG 4.47Å; W487-F608 HydrophobicContact CB-CE1 4.48Å; W487-F608 HydrophobicContact CE3-CE1 4.39Å
488L93.4Very high91.3Very high16 Ų1637.3 Ų37.38%0.08418%0.176CC..Hα-helixtrans-65.7-45.3176-173.764.3000111.6D484 E485 Q486 A491 A492 W536 M541 V613 F615D484-L488 WeakPolarHBondContact O-CB 3.16Å; D484-L488 PolarHBondContact O-N 3.07Å; E485-L488 PolarHBondContact O-N 2.84Å; Q486-L488 VanDerWaalsContact C-N 3.34Å; L488-A491 WeakPolarHBondContact O-CB 3.32Å; L488-A491 PolarHBondContact O-N 3.31Å; L488-A492 PolarHBondContact O-N 3.5Å; L488-W536 HydrophobicContact CD1-CB 4.47Å; L488-W536 HydrophobicContact CD1-CD2 3.92Å; L488-W536 HydrophobicContact CD1-CG 3.85Å; L488-W536 HydrophobicContact CD2-CD2 3.84Å; L488-W536 HydrophobicContact CD2-CE3 3.61Å; L488-W536 HydrophobicContact CD2-CG 4.33Å; L488-W536 HydrophobicContact CD2-CZ3 3.99Å; L488-M541 HydrophobicContact CD2-SD 4.18Å; L488-M541 HydrophobicContact CG-CE 4.38Å; L488-M541 HydrophobicContact CG-SD 3.94Å; L488-V613 HydrophobicContact CD1-CG1 3.84Å; L488-F615 HydrophobicContact CD1-CE1 3.89Å; L488-F615 HydrophobicContact CD1-CZ 4.05Å
489N95Very high91.2Very high16 Ų1637.5 Ų37.59%0.08618%0.178CC..Hα-helixtrans-64.1-41.1176-72.2-19.9000111.6E485 Q486 A492 C493 V556 Y561E485-N489 WeakPolarHBondContact O-CB 3.5Å; E485-N489 VanDerWaalsContact O-CG 3.23Å; E485-N489 PolarHBondContact O-N 3.1Å; E485-N489 PolarHBondContact O-ND2 3.38Å; Q486-N489 PolarHBondContact O-N 3.49Å; N489-A492 VanDerWaalsContact O-CB 3.26Å; N489-A492 WeakPolarHBondContact O-CB 3.47Å; N489-A492 PolarHBondContact O-N 3.09Å; N489-C493 PolarHBondContact O-N 3.09Å; N489-C493 PolarHBondContact O-SG 3.11Å; N489-V556 HydrophobicContact CB-CG1 4.25Å; N489-Y561 HydrophobicContact CB-CE1 4.17Å; N489-Y561 HydrophobicContact CB-CE2 3.98Å; N489-Y561 WeakPolarHBondContact CB-OH 3.32Å; N489-Y561 PolarHBondContact ND2-OH 3.36Å
490L94.9Very high91.2Very high1 Ų136 Ų361%0.00517%0.169CC..Hα-helixtrans-65.1-39.9175.5-174.862.4000111.7Q486 W487 A492 C493 W494 Y561 I563 Y585Q486-L490 WeakPolarHBondContact O-CB 3.32Å; Q486-L490 PolarHBondContact O-N 2.96Å; W487-L490 HydrophobicContact CE3-CD2 3.88Å; W487-L490 HydrophobicContact CZ3-CD2 3.68Å; W487-L490 PolarHBondContact O-N 3.17Å; L490-A492 VanDerWaalsContact C-N 3.31Å; L490-A492 PolarHBondContact O-N 3.19Å; L490-C493 WeakPolarHBondContact O-CB 3.46Å; L490-C493 PolarHBondContact O-N 3.36Å; L490-W494 HydrophobicContact CD1-CZ2 4.17Å; L490-W494 HydrophobicContact CD2-CH2 3.54Å; L490-W494 HydrophobicContact CD2-CZ2 3.62Å; L490-W494 HydrophobicContact CD2-CZ3 4.17Å; L490-W494 HydrophobicContact CG-CD2 4.21Å; L490-W494 HydrophobicContact CG-CE3 4.3Å; L490-W494 HydrophobicContact CG-CH2 3.87Å; L490-W494 HydrophobicContact CG-CZ2 3.75Å; L490-W494 HydrophobicContact CG-CZ3 4.14Å; L490-W494 PolarHBondContact O-N 2.99Å; L490-Y561 HydrophobicContact CB-CD1 4.48Å; L490-Y561 HydrophobicContact CB-CE1 4.5Å; L490-Y561 HydrophobicContact CD1-CD1 4.2Å; L490-I563 HydrophobicContact CD1-CD1 3.74Å; L490-I563 HydrophobicContact CD1-CG1 4.18Å; L490-Y585 HydrophobicContact CD1-CD1 4.12Å; L490-Y585 HydrophobicContact CD1-CD2 4.04Å; L490-Y585 HydrophobicContact CD1-CE2 4.49Å; L490-Y585 HydrophobicContact CD1-CG 3.84Å; L490-Y585 HydrophobicContact CD2-CD1 3.68Å; L490-Y585 HydrophobicContact CD2-CE1 4.16Å; L490-Y585 HydrophobicContact CD2-CG 4.14Å
491A95.9Very high91.7Very high0 Ų034.6 Ų34.60%016%0.162CC..Hα-helixtrans-60.6-40.7172.200000111.5W487 L488 C493 W494 A495 F608 V613 F615W487-A491 WeakPolarHBondContact O-CB 3.47Å; W487-A491 PolarHBondContact O-N 3.42Å; L488-A491 WeakPolarHBondContact O-CB 3.32Å; L488-A491 PolarHBondContact O-N 3.31Å; A491-C493 VanDerWaalsContact C-N 3.34Å; A491-C493 PolarHBondContact O-N 3.2Å; A491-W494 PolarHBondContact O-N 3.4Å; A491-A495 PolarHBondContact O-N 2.91Å; A491-F608 HydrophobicContact CB-CE1 4.05Å; A491-F608 HydrophobicContact CB-CE2 4.29Å; A491-F608 HydrophobicContact CB-CZ 3.54Å; A491-V613 HydrophobicContact CB-CB 4.12Å; A491-V613 HydrophobicContact CB-CG1 4.38Å; A491-V613 HydrophobicContact CB-CG2 4.04Å; A491-F615 HydrophobicContact CB-CE2 4.03Å; A491-F615 HydrophobicContact CB-CZ 3.94Å
492A96.5Very high92.3Very high0 Ų030.7 Ų30.70%014%0.144CC..Hα-helixtrans-59.1-44.7173.800000111.9L488 N489 L490 W494 A495 H496 L534 M541 T543 F615L488-A492 PolarHBondContact O-N 3.5Å; N489-A492 VanDerWaalsContact O-CB 3.26Å; N489-A492 WeakPolarHBondContact O-CB 3.47Å; N489-A492 PolarHBondContact O-N 3.09Å; L490-A492 VanDerWaalsContact C-N 3.31Å; L490-A492 PolarHBondContact O-N 3.19Å; A492-W494 PolarHBondContact O-N 3.28Å; A492-A495 WeakPolarHBondContact O-CB 3.48Å; A492-A495 PolarHBondContact O-N 3.46Å; A492-H496 WeakPolarHBondContact O-CB 3.14Å; A492-H496 PolarHBondContact O-N 3.15Å; A492-L534 HydrophobicContact CB-CD1 3.84Å; A492-M541 HydrophobicContact CB-CE 3.36Å; A492-M541 HydrophobicContact CB-SD 4.2Å; A492-T543 HydrophobicContact CB-CG2 3.74Å; A492-F615 HydrophobicContact CB-CZ 4.38Å
493C96.8Very high92.7Very high0 Ų033.8 Ų33.80%016%0.155CC..Hα-helixtrans-62.1-42.1176.4-61.80000111.5N489 L490 A491 H496 L497 F554 V556 I563N489-C493 PolarHBondContact O-N 3.09Å; N489-C493 PolarHBondContact O-SG 3.11Å; L490-C493 WeakPolarHBondContact O-CB 3.46Å; L490-C493 PolarHBondContact O-N 3.36Å; A491-C493 VanDerWaalsContact C-N 3.34Å; A491-C493 PolarHBondContact O-N 3.2Å; C493-H496 PolarHBondContact O-N 3.36Å; C493-L497 WeakPolarHBondContact O-CB 3.46Å; C493-L497 PolarHBondContact O-N 2.81Å; C493-F554 HydrophobicContact CB-CB 4.03Å; C493-F554 HydrophobicContact CB-CD1 4.13Å; C493-F554 HydrophobicContact CB-CD2 3.9Å; C493-F554 HydrophobicContact CB-CE2 4.42Å; C493-F554 HydrophobicContact CB-CG 3.75Å; C493-F554 WeakPolarHBondContact O-CE1 3.28Å; C493-F554 WeakPolarHBondContact SG-CB 3.34Å; C493-V556 VanDerWaalsContact SG-CG2 3.59Å; C493-I563 HydrophobicContact CB-CD1 3.56Å
494W97.1Very high92.8Very high0 Ų029 Ų290%013%0.131CC..Hα-helixtrans-66.4-42.5174.8-71.6-32000112.6W487 L490 A491 A492 H496 L497 G498 F590 V592 T594 V603 C605 F608W487-W494 HydrophobicContact CZ3-CH2 4.4Å; L490-W494 HydrophobicContact CD1-CZ2 4.17Å; L490-W494 HydrophobicContact CD2-CH2 3.54Å; L490-W494 HydrophobicContact CD2-CZ2 3.62Å; L490-W494 HydrophobicContact CD2-CZ3 4.17Å; L490-W494 HydrophobicContact CG-CD2 4.21Å; L490-W494 HydrophobicContact CG-CE3 4.3Å; L490-W494 HydrophobicContact CG-CH2 3.87Å; L490-W494 HydrophobicContact CG-CZ2 3.75Å; L490-W494 HydrophobicContact CG-CZ3 4.14Å; L490-W494 PolarHBondContact O-N 2.99Å; A491-W494 PolarHBondContact O-N 3.4Å; A492-W494 PolarHBondContact O-N 3.28Å; W494-H496 VanDerWaalsContact C-N 3.28Å; W494-H496 PolarHBondContact O-N 2.91Å; W494-L497 PolarHBondContact O-N 2.82Å; W494-G498 PolarHBondContact O-N 3.49Å; W494-F590 HydrophobicContact CH2-CB 4.13Å; W494-F590 HydrophobicContact CH2-CD1 4.23Å; W494-F590 HydrophobicContact CH2-CD2 4.04Å; W494-F590 AromaticContact CH2-CG 3.85Å; W494-F590 HydrophobicContact CH2-CG 3.85Å; W494-F590 HydrophobicContact CZ2-CB 4.05Å; W494-F590 AromaticContact CZ2-CD2 3.69Å; W494-F590 HydrophobicContact CZ2-CD2 3.69Å; W494-F590 HydrophobicContact CZ2-CE2 4.31Å; W494-F590 AromaticContact CZ2-CG 3.87Å; W494-F590 HydrophobicContact CZ2-CG 3.87Å; W494-V592 HydrophobicContact CB-CG1 4.02Å; W494-V592 HydrophobicContact CD2-CB 4.47Å; W494-V592 HydrophobicContact CD2-CG1 4Å; W494-V592 HydrophobicContact CD2-CG2 3.75Å; W494-V592 HydrophobicContact CE3-CG1 4.06Å; W494-V592 HydrophobicContact CE3-CG2 3.9Å; W494-V592 HydrophobicContact CG-CG1 3.99Å; W494-V592 HydrophobicContact CG-CG2 4.31Å; W494-V592 HydrophobicContact CH2-CG2 4.08Å; W494-V592 HydrophobicContact CZ2-CG2 3.92Å; W494-V592 HydrophobicContact CZ3-CG2 4.07Å; W494-T594 HydrophobicContact CB-CG2 4.49Å; W494-T594 WeakPolarHBondContact O-CG2 3.39Å; W494-V603 HydrophobicContact CB-CG1 3.88Å; W494-V603 HydrophobicContact CE3-CG1 4.1Å; W494-C605 HydrophobicContact CZ3-CB 4.05Å; W494-F608 AromaticContact CE3-CZ 3.87Å; W494-F608 HydrophobicContact CE3-CZ 3.87Å; W494-F608 HydrophobicContact CZ3-CE1 4.11Å; W494-F608 AromaticContact CZ3-CZ 3.63Å; W494-F608 HydrophobicContact CZ3-CZ 3.63Å
495A97.2Very high92.7Very high2 Ų226.8 Ų26.82%0.01712%0.122CC..Hα-helixtrans-55-47.7173.200000110.7A491 A492 G498 C499 L534 A601 V603 F615A491-A495 PolarHBondContact O-N 2.91Å; A492-A495 WeakPolarHBondContact O-CB 3.48Å; A492-A495 PolarHBondContact O-N 3.46Å; A495-G498 PolarHBondContact O-N 3.21Å; A495-C499 PolarHBondContact O-N 3.42Å; A495-C499 PolarHBondContact O-SG 2.83Å; A495-L534 HydrophobicContact CB-CD1 4Å; A495-L534 HydrophobicContact CB-CD2 4.38Å; A495-A601 HydrophobicContact CB-CB 4.24Å; A495-V603 HydrophobicContact CB-CG2 3.56Å; A495-F615 HydrophobicContact CB-CD2 3.97Å; A495-F615 HydrophobicContact CB-CE2 4.19Å
496H95.2Very high92.2Very high0 Ų022.8 Ų22.80%010%0.104CC..Hα-helixtrans-61.7-45.7177.2-171.6-173.6000112.3A492 C493 W494 G498 C499 Y500 D530 L532 T543 L545 F554A492-H496 WeakPolarHBondContact O-CB 3.14Å; A492-H496 PolarHBondContact O-N 3.15Å; C493-H496 PolarHBondContact O-N 3.36Å; W494-H496 VanDerWaalsContact C-N 3.28Å; W494-H496 PolarHBondContact O-N 2.91Å; H496-G498 VanDerWaalsContact C-N 3.3Å; H496-G498 PolarHBondContact O-N 3.22Å; H496-C499 PolarHBondContact O-N 3.18Å; H496-Y500 WeakPolarHBondContact O-CB 3.2Å; H496-Y500 PolarHBondContact O-N 3.46Å; H496-D530 IonicContact CD2-OD1 3.15Å; H496-D530 PolarHBondContact CE1-O 3.46Å; H496-D530 IonicContact CE1-OD1 2.93Å; H496-D530 IonicContact NE2-OD1 3.67Å; H496-D530 PolarHBondContact NE2-OD1 3.45Å; H496-L532 HydrophobicContact CB-CB 4.34Å; H496-L532 HydrophobicContact CB-CD2 3.9Å; H496-T543 VanDerWaalsContact ND1-CB 3.34Å; H496-T543 WeakPolarHBondContact ND1-CB 3.32Å; H496-T543 PolarHBondContact ND1-OG1 2.88Å; H496-L545 WeakPolarHBondContact CE1-CB 3.43Å; H496-F554 HydrophobicContact CB-CD1 4.3Å; H496-F554 HydrophobicContact CB-CE1 3.86Å; H496-F554 AromaticContact CG-CE1 3.77Å; H496-F554 AromaticContact ND1-CD1 3.59Å; H496-F554 AromaticContact ND1-CE1 3.59Å
497L95.3Very high91.4Very high0 Ų020.6 Ų20.60%010%0.095CC..Hα-helixtrans-59.1-42.3175-173.853.7000111.9C493 W494 Y500 L501 F552 F554 I563 C565 M581C493-L497 WeakPolarHBondContact O-CB 3.46Å; C493-L497 PolarHBondContact O-N 2.81Å; W494-L497 PolarHBondContact O-N 2.82Å; L497-Y500 HydrophobicContact CD1-CD1 4.38Å; L497-Y500 PolarHBondContact O-N 2.87Å; L497-L501 HydrophobicContact CD1-CD1 4.07Å; L497-L501 HydrophobicContact CD1-CG 4.04Å; L497-L501 HydrophobicContact CG-CD1 3.94Å; L497-L501 HydrophobicContact CG-CG 4.34Å; L497-L501 WeakPolarHBondContact O-CB 3.36Å; L497-L501 VanDerWaalsContact O-CG 3.26Å; L497-L501 WeakPolarHBondContact O-CG 3.32Å; L497-L501 PolarHBondContact O-N 3.38Å; L497-F552 HydrophobicContact CD1-CB 4.47Å; L497-F552 HydrophobicContact CD1-CD1 3.67Å; L497-F552 HydrophobicContact CD1-CD2 3.97Å; L497-F552 HydrophobicContact CD1-CE1 3.8Å; L497-F552 HydrophobicContact CD1-CE2 4.1Å; L497-F552 HydrophobicContact CD1-CG 3.76Å; L497-F552 HydrophobicContact CD1-CZ 4.02Å; L497-F552 HydrophobicContact CD2-CD2 4.46Å; L497-F554 HydrophobicContact CB-CE1 4.48Å; L497-F554 HydrophobicContact CB-CE2 4.46Å; L497-F554 HydrophobicContact CB-CZ 3.71Å; L497-F554 HydrophobicContact CD1-CZ 4.16Å; L497-F554 HydrophobicContact CG-CZ 4.36Å; L497-I563 HydrophobicContact CD2-CG2 4.25Å; L497-C565 HydrophobicContact CD2-CB 4.1Å; L497-M581 HydrophobicContact CD2-SD 3.86Å; L497-M581 HydrophobicContact CG-SD 4.21Å
498G95Very high90.3Very high2 Ų226.7 Ų26.72%0.02112%0.118CC..Hα-helixtrans-58.3-53.9175.400000112.4W494 A495 H496 Y500 L501 A502 V579 T594W494-G498 PolarHBondContact O-N 3.49Å; A495-G498 PolarHBondContact O-N 3.21Å; H496-G498 VanDerWaalsContact C-N 3.3Å; H496-G498 PolarHBondContact O-N 3.22Å; G498-Y500 VanDerWaalsContact C-N 3.25Å; G498-Y500 PolarHBondContact O-N 2.77Å; G498-L501 PolarHBondContact O-N 2.84Å; G498-A502 WeakPolarHBondContact O-CB 3.25Å; G498-A502 PolarHBondContact O-N 3.24Å; G498-V579 WeakPolarHBondContact O-CG2 3.49Å; G498-T594 VanDerWaalsContact CA-OG1 3.25Å; G498-T594 WeakPolarHBondContact CA-OG1 3.38Å
499C92.4Very high88.9Confident7 Ų733.3 Ų33.35%0.04715%0.148CC..Hα-helixtrans-58.2-39.8177-59.60000111.4A495 H496 R503 L532 Q596A495-C499 PolarHBondContact O-N 3.42Å; A495-C499 PolarHBondContact O-SG 2.83Å; H496-C499 PolarHBondContact O-N 3.18Å; C499-R503 WeakPolarHBondContact O-CB 3.38Å; C499-R503 VanDerWaalsContact O-CG 3.27Å; C499-R503 WeakPolarHBondContact O-CG 3.27Å; C499-R503 PolarHBondContact O-N 2.77Å; C499-R503 VanDerWaalsContact O-N 3.15Å; C499-R503 PolarHBondContact O-NE 3.22Å; C499-L532 HydrophobicContact CB-CD2 4.32Å; C499-Q596 PolarHBondContact SG-OE1 2.83Å
500Y91Very high87Confident17 Ų1736.1 Ų36.17%0.06717%0.168CC..Hα-helixtrans-65.6-48.2177171.1-90.4000112.1H496 L497 G498 R503 R504 L545 E547 F552H496-Y500 WeakPolarHBondContact O-CB 3.2Å; H496-Y500 PolarHBondContact O-N 3.46Å; L497-Y500 HydrophobicContact CD1-CD1 4.38Å; L497-Y500 PolarHBondContact O-N 2.87Å; G498-Y500 VanDerWaalsContact C-N 3.25Å; G498-Y500 PolarHBondContact O-N 2.77Å; Y500-R503 PolarHBondContact O-N 2.65Å; Y500-R504 WeakPolarHBondContact O-CB 3.45Å; Y500-R504 PolarHBondContact O-N 3.01Å; Y500-R504 PolarHBondContact OH-NH1 2.83Å; Y500-L545 HydrophobicContact CD1-CD2 4.14Å; Y500-L545 HydrophobicContact CD2-CD2 3.7Å; Y500-L545 HydrophobicContact CE2-CD2 4.31Å; Y500-L545 HydrophobicContact CG-CD2 3.62Å; Y500-E547 PolarHBondContact OH-OE1 3.45Å; Y500-E547 PolarHBondContact OH-OE2 3.28Å; Y500-F552 HydrophobicContact CD1-CE1 4.24Å; Y500-F552 AromaticContact CE1-CE1 3.89Å; Y500-F552 HydrophobicContact CE1-CE1 3.89Å
501L91.4Very high85.2Confident19 Ų1939.5 Ų39.510%0.09919%0.192CC..Hα-helixtrans-66.5-38.4-179.6-70.8174.5000112.3L497 G498 R504 S505 V579L497-L501 HydrophobicContact CD1-CD1 4.07Å; L497-L501 HydrophobicContact CD1-CG 4.04Å; L497-L501 HydrophobicContact CG-CD1 3.94Å; L497-L501 HydrophobicContact CG-CG 4.34Å; L497-L501 WeakPolarHBondContact O-CB 3.36Å; L497-L501 VanDerWaalsContact O-CG 3.26Å; L497-L501 WeakPolarHBondContact O-CG 3.32Å; L497-L501 PolarHBondContact O-N 3.38Å; G498-L501 PolarHBondContact O-N 2.84Å; L501-R504 PolarHBondContact O-N 3.26Å; L501-S505 PolarHBondContact O-N 2.81Å; L501-V579 HydrophobicContact CB-CG1 4.15Å; L501-V579 HydrophobicContact CB-CG2 4.36Å; L501-V579 HydrophobicContact CD1-CG1 3.95Å
502A90.5Very high84.1Confident1 Ų145.7 Ų45.71%0.00824%0.235CC..Hα-helixtrans-61.7-51.9174.800000111.6G498 R504 S505 M506 E577 V579G498-A502 WeakPolarHBondContact O-CB 3.25Å; G498-A502 PolarHBondContact O-N 3.24Å; A502-R504 VanDerWaalsContact C-N 3.33Å; A502-R504 PolarHBondContact O-N 3.33Å; A502-S505 WeakPolarHBondContact O-CB 3.35Å; A502-S505 PolarHBondContact O-N 2.86Å; A502-S505 VanDerWaalsContact O-N 3.11Å; A502-M506 PolarHBondContact O-N 2.75Å; A502-M506 VanDerWaalsContact O-N 3.09Å; A502-E577 HydrophobicContact CB-CB 4Å; A502-E577 WeakPolarHBondContact CB-OE2 3.26Å; A502-V579 HydrophobicContact CB-CG2 4.04Å
503R86.6Confident83.1Confident72 Ų7248.2 Ų48.227%0.27225%0.249SC..Hα-helixtrans-53.9-47.9174.2-75.6-177.7-66.1158.2-2.6111.9C499 Y500 S505 M506 L507 D530C499-R503 WeakPolarHBondContact O-CB 3.38Å; C499-R503 VanDerWaalsContact O-CG 3.27Å; C499-R503 WeakPolarHBondContact O-CG 3.27Å; C499-R503 PolarHBondContact O-N 2.77Å; C499-R503 VanDerWaalsContact O-N 3.15Å; C499-R503 PolarHBondContact O-NE 3.22Å; Y500-R503 PolarHBondContact O-N 2.65Å; R503-S505 VanDerWaalsContact C-N 3.3Å; R503-S505 PolarHBondContact O-N 3.04Å; R503-M506 PolarHBondContact O-N 3.41Å; R503-L507 VanDerWaalsContact O-CG 3.26Å; R503-L507 WeakPolarHBondContact O-CG 3.45Å; R503-L507 PolarHBondContact O-N 3.02Å; R503-L507 VanDerWaalsContact O-N 3.09Å; R503-D530 IonicContact CZ-OD1 3.61Å; R503-D530 IonicContact CZ-OD2 3.73Å; R503-D530 IonicContact NH1-OD1 3.06Å; R503-D530 IonicContact NH1-OD2 3.3Å; R503-D530 PolarHBondContact NH1-OD2 3.45Å; R503-D530 VanDerWaalsContact NH2-CG 3.27Å; R503-D530 IonicContact NH2-OD1 2.65Å; R503-D530 PolarHBondContact NH2-OD1 3.03Å; R503-D530 IonicContact NH2-OD2 3.47Å; R503-D530 PolarHBondContact NH2-OD2 2.79Å; R503-D530 VanDerWaalsContact NH2-OD2 3.14Å
504R83.5Confident82Confident79 Ų7952.3 Ų52.330%0.29828%0.275SS..Hα-helixtrans-62.1-36.9179.4-170.6176.4-174.11584.1112.7Y500 L501 A502 L507 R508 E547Y500-R504 WeakPolarHBondContact O-CB 3.45Å; Y500-R504 PolarHBondContact O-N 3.01Å; Y500-R504 PolarHBondContact OH-NH1 2.83Å; L501-R504 PolarHBondContact O-N 3.26Å; A502-R504 VanDerWaalsContact C-N 3.33Å; A502-R504 PolarHBondContact O-N 3.33Å; R504-L507 PolarHBondContact O-N 3.39Å; R504-R508 PolarHBondContact O-N 3.07Å; R504-E547 IonicContact CZ-OE1 2.79Å; R504-E547 IonicContact NH1-OE1 3.8Å; R504-E547 PolarHBondContact NH1-OE1 3.13Å; R504-E547 IonicContact NH2-OE1 2.65Å
505S85.2Confident81.1Confident29 Ų2961.6 Ų61.620%0.20332%0.316CS..Hα-helixtrans-65.1-45.5176.7-168.50000111.7L501 A502 R503 L507 R508 H509L501-S505 PolarHBondContact O-N 2.81Å; A502-S505 WeakPolarHBondContact O-CB 3.35Å; A502-S505 PolarHBondContact O-N 2.86Å; A502-S505 VanDerWaalsContact O-N 3.11Å; R503-S505 VanDerWaalsContact C-N 3.3Å; R503-S505 PolarHBondContact O-N 3.04Å; S505-L507 VanDerWaalsContact C-N 3.31Å; S505-L507 PolarHBondContact O-N 3.31Å; S505-R508 PolarHBondContact O-N 3.44Å; S505-H509 PolarHBondContact O-N 2.87Å; S505-H509 PolarHBondContact O-ND1 3.35Å
506M79.5Confident79.9Confident62 Ų6266.8 Ų66.831%0.30534%0.338SS..Hα-helixtrans-59.2-43.1176.3-71.4-173.3-109.400111.9A502 R503 R508 H509 C510 I572 E577A502-M506 PolarHBondContact O-N 2.75Å; A502-M506 VanDerWaalsContact O-N 3.09Å; R503-M506 PolarHBondContact O-N 3.41Å; M506-R508 VanDerWaalsContact C-N 3.34Å; M506-R508 PolarHBondContact O-N 3.37Å; M506-H509 PolarHBondContact O-N 3.33Å; M506-H509 VanDerWaalsContact O-N 3.1Å; M506-C510 WeakPolarHBondContact O-CB 3.46Å; M506-C510 PolarHBondContact O-N 3.17Å; M506-I572 HydrophobicContact CE-CD1 4.38Å; M506-I572 HydrophobicContact CG-CD1 3.51Å; M506-I572 HydrophobicContact SD-CD1 4.5Å; M506-E577 HydrophobicContact CE-CG 3.98Å; M506-E577 WeakPolarHBondContact CE-OE1 3.31Å; M506-E577 VanDerWaalsContact CE-OE2 3.28Å; M506-E577 WeakPolarHBondContact CE-OE2 3.32Å
507L74.4Confident78.5Confident47 Ų4770.9 Ų70.925%0.24636%0.359CS..Hα-helixtrans-67.4-31.7-178.4-67.3169000113.7R503 R504 S505 H509 K516 A518R503-L507 VanDerWaalsContact O-CG 3.26Å; R503-L507 WeakPolarHBondContact O-CG 3.45Å; R503-L507 PolarHBondContact O-N 3.02Å; R503-L507 VanDerWaalsContact O-N 3.09Å; R504-L507 PolarHBondContact O-N 3.39Å; S505-L507 VanDerWaalsContact C-N 3.31Å; S505-L507 PolarHBondContact O-N 3.31Å; L507-H509 PolarHBondContact O-N 2.97Å; L507-K516 WeakPolarHBondContact CD1-O 3.11Å; L507-K516 VanDerWaalsContact CD2-C 3.5Å; L507-K516 HydrophobicContact CD2-CB 3.7Å; L507-K516 WeakPolarHBondContact CD2-O 3.37Å; L507-A518 HydrophobicContact CD1-CB 4.44Å
508R69.9Low77.3Confident191 Ų19173.2 Ų73.272%0.72138%0.379SS*.Hα-helixtrans-65.6-27.6173-77-179173.4177.7-0112.8R504 S505 M506R504-R508 PolarHBondContact O-N 3.07Å; S505-R508 PolarHBondContact O-N 3.44Å; M506-R508 VanDerWaalsContact C-N 3.34Å; M506-R508 PolarHBondContact O-N 3.37Å
509H63.4Low76.1Confident154 Ų15476.9 Ų76.971%0.71340%0.398SS*.Hα-helixtrans-96.5-20.8-178.2-66.186.3000112.9S505 M506 L507S505-H509 PolarHBondContact O-N 2.87Å; S505-H509 PolarHBondContact O-ND1 3.35Å; M506-H509 PolarHBondContact O-N 3.33Å; M506-H509 VanDerWaalsContact O-N 3.1Å; L507-H509 PolarHBondContact O-N 2.97Å
510C54.5Low75.3Confident76 Ų7677.5 Ų77.551%0.51441%0.405SS..SBendtrans-120.599.1-173-72.80000112.2M506M506-C510 WeakPolarHBondContact O-CB 3.46Å; M506-C510 PolarHBondContact O-N 3.17Å
511S58.4Low74.7Confident72 Ų7283.5 Ų83.550%0.50343%0.432SS..  trans83.5135.6158.8-159.40000117.2D513S511-D513 PolarHBondContact O-N 2.9Å; S511-D513 VanDerWaalsContact O-N 3.07Å; S511-D513 VanDerWaalsContact OG-CB 3.31Å; S511-D513 WeakPolarHBondContact OG-CB 3.4Å; S511-D513 PolarHBondContact OG-N 3.46Å
512S71.5Confident74.1Confident130 Ų13088.6 Ų88.691%0.90945%0.45SS*.SBendtrans-72.817.516650.70000113.4P514S512-P514 WeakPolarHBondContact O-CD 3.49Å
513D77Confident73.9Confident53 Ų5394.9 Ų94.928%0.28348%0.482SS..  trans-86.2110.5-176.9178.60.9000109.4S511 F515 K516S511-D513 PolarHBondContact O-N 2.9Å; S511-D513 VanDerWaalsContact O-N 3.07Å; S511-D513 VanDerWaalsContact OG-CB 3.31Å; S511-D513 WeakPolarHBondContact OG-CB 3.4Å; S511-D513 PolarHBondContact OG-N 3.46Å; D513-F515 PolarHBondContact O-N 3.17Å; D513-F515 WeakPolarHBondContact OD1-CB 3.41Å; D513-F515 WeakPolarHBondContact OD1-CD2 3.46Å; D513-F515 PolarHBondContact OD1-N 2.99Å; D513-K516 HydrophobicContact CB-CD 4.34Å; D513-K516 HydrophobicContact CB-CG 4.24Å; D513-K516 PolarHBondContact O-N 2.91Å
514P73.5Confident73.9Confident85 Ų8599.1 Ų99.155%0.55251%0.51SS*.G310 helixtrans-63.8-22.1-177.728.3-35.5000112.6S512 K516 I517S512-P514 WeakPolarHBondContact O-CD 3.49Å; P514-K516 VanDerWaalsContact C-N 3.27Å; P514-K516 PolarHBondContact O-N 3.33Å; P514-I517 WeakPolarHBondContact O-CB 3.3Å; P514-I517 PolarHBondContact O-N 2.91Å
515F76.9Confident74Confident195 Ų195101 Ų10186%0.85553%0.525SS*.G310 helixtrans-78.2-11.3-179.3-64.1-74.2000113.7D513D513-F515 PolarHBondContact O-N 3.17Å; D513-F515 WeakPolarHBondContact OD1-CB 3.41Å; D513-F515 WeakPolarHBondContact OD1-CD2 3.46Å; D513-F515 PolarHBondContact OD1-N 2.99Å
516K73.5Confident73.5Confident111 Ų111105 Ų10548%0.48355%0.55SS.*G310 helixtrans-82.2-21.1170-67.1-173.4179.7-179.30112L507 D513 P514 A518L507-K516 WeakPolarHBondContact CD1-O 3.11Å; L507-K516 VanDerWaalsContact CD2-C 3.5Å; L507-K516 HydrophobicContact CD2-CB 3.7Å; L507-K516 WeakPolarHBondContact CD2-O 3.37Å; D513-K516 HydrophobicContact CB-CD 4.34Å; D513-K516 HydrophobicContact CB-CG 4.24Å; D513-K516 PolarHBondContact O-N 2.91Å; P514-K516 VanDerWaalsContact C-N 3.27Å; P514-K516 PolarHBondContact O-N 3.33Å; K516-A518 PolarHBondContact O-N 3.36Å
517I65.9Low73.3Confident86 Ų86105.7 Ų105.744%0.44156%0.562SS.*  trans-70.397.3-177.6-52.3178000108.6P514 D519P514-I517 WeakPolarHBondContact O-CB 3.3Å; P514-I517 PolarHBondContact O-N 2.91Å; I517-D519 HydrophobicContact CG2-CB 3.89Å; I517-D519 PolarHBondContact O-N 3.27Å
518A69Low73.5Confident50 Ų50106.7 Ų106.741%0.41357%0.569SS.*  trans-78.552.3-179.200000111.9L507 K516L507-A518 HydrophobicContact CD1-CB 4.44Å; K516-A518 PolarHBondContact O-N 3.36Å
519D70.7Confident74.1Confident79 Ų79101 Ų10142%0.42255%0.553SS.*SBendtrans-956.9-176.965.41.2000113.9I517 F521I517-D519 HydrophobicContact CG2-CB 3.89Å; I517-D519 PolarHBondContact O-N 3.27Å; D519-F521 VanDerWaalsContact C-N 3.29Å; D519-F521 PolarHBondContact O-N 2.95Å; D519-F521 WeakPolarHBondContact OD1-CB 3.48Å; D519-F521 PolarHBondContact OD1-N 3.42Å
520G74.6Confident75.1Confident20 Ų2095.3 Ų95.321%0.20653%0.528CS..  trans75.114.6-179.900000114.3R522 S527 V528G520-R522 PolarHBondContact O-N 3.33Å; G520-S527 WeakPolarHBondContact O-CA 3.45Å; G520-V528 PolarHBondContact O-N 2.99Å; G520-V528 VanDerWaalsContact O-N 3.09Å
521F78.6Confident76.8Confident143 Ų14398.2 Ų98.263%0.62753%0.532SS*.  trans-50.1137177.6178.3-101.6000112.7D519D519-F521 VanDerWaalsContact C-N 3.29Å; D519-F521 PolarHBondContact O-N 2.95Å; D519-F521 WeakPolarHBondContact OD1-CB 3.48Å; D519-F521 PolarHBondContact OD1-N 3.42Å
522R79.7Confident78.4Confident126 Ų12696.2 Ų96.248%0.47552%0.516SS..  trans-136.9135.7173.3-65.3-67.6-179.7-96.73.3108.5G520 N524 L525 V528G520-R522 PolarHBondContact O-N 3.33Å; R522-N524 PolarHBondContact O-N 3.5Å; R522-L525 HydrophobicContact CB-CB 3.82Å; R522-V528 HydrophobicContact CG-CG2 3.83Å
523I85.1Confident79.4Confident133 Ų13392.3 Ų92.368%0.68249%0.487SS*.THydrogen-bonded Turntrans-69129.3174.6-155.4167.7000109.1L525I523-L525 PolarHBondContact O-N 2.92Å
524N87.7Confident80.3Confident160 Ų16089.8 Ų89.886%0.85647%0.473SS*.THydrogen-bonded Turntrans58.314.9178.5-56.7-33.2000116.5R522R522-N524 PolarHBondContact O-N 3.5Å
525L83.9Confident81.2Confident118 Ų11889.8 Ų89.862%0.61846%0.462SS*.SBendtrans-131.8154175.4-66.6173000109.5R522 I523R522-L525 HydrophobicContact CB-CB 3.82Å; I523-L525 PolarHBondContact O-N 2.92Å
526P75.9Confident81.9Confident113 Ų11383.8 Ų83.873%0.73443%0.434SS*.PPolyproline II helixtrans-53.6146.3167.5-22.533.4000110.7V528P526-V528 PolarHBondContact O-N 3.33Å
527S75.1Confident82.5Confident77 Ų7781.6 Ų81.654%0.53844%0.443SS..PPolyproline II helixtrans-54.4136.2170.954.10000109.4G520G520-S527 WeakPolarHBondContact O-CA 3.45Å
528V78.6Confident83.4Confident68 Ų6887.7 Ų87.741%0.41247%0.466SS..PPolyproline II helixtrans-74.4136175.8-171.70000107.9G520 R522 P526 D530G520-V528 PolarHBondContact O-N 2.99Å; G520-V528 VanDerWaalsContact O-N 3.09Å; R522-V528 HydrophobicContact CG-CG2 3.83Å; P526-V528 PolarHBondContact O-N 3.33Å; V528-D530 PolarHBondContact O-N 2.98Å
529D81.9Confident84.3Confident72 Ų7287.4 Ų87.439%0.38546%0.464SS..PPolyproline II helixtrans-51.3132.9170.6-64.7-17.8000109.3K531 L545D529-K531 PolarHBondContact O-N 2.9Å; D529-L545 WeakPolarHBondContact CA-O 3.41Å; D529-L545 WeakPolarHBondContact CB-O 3.34Å
530D86Confident85.2Confident34 Ų3487.9 Ų87.918%0.18247%0.47CS..EExtended strand (participates in β ladder)trans-66129.9174.9-175.6-98000107.5H496 R503 V528 S544 L545H496-D530 IonicContact CD2-OD1 3.15Å; H496-D530 PolarHBondContact CE1-O 3.46Å; H496-D530 IonicContact CE1-OD1 2.93Å; H496-D530 IonicContact NE2-OD1 3.67Å; H496-D530 PolarHBondContact NE2-OD1 3.45Å; R503-D530 IonicContact CZ-OD1 3.61Å; R503-D530 IonicContact CZ-OD2 3.73Å; R503-D530 IonicContact NH1-OD1 3.06Å; R503-D530 IonicContact NH1-OD2 3.3Å; R503-D530 PolarHBondContact NH1-OD2 3.45Å; R503-D530 VanDerWaalsContact NH2-CG 3.27Å; R503-D530 IonicContact NH2-OD1 2.65Å; R503-D530 PolarHBondContact NH2-OD1 3.03Å; R503-D530 IonicContact NH2-OD2 3.47Å; R503-D530 PolarHBondContact NH2-OD2 2.79Å; R503-D530 VanDerWaalsContact NH2-OD2 3.14Å; V528-D530 PolarHBondContact O-N 2.98Å; D530-S544 CarbonylContact O-C 3.49Å; D530-S544 WeakPolarHBondContact O-CA 3.49Å; D530-L545 HydrophobicContact CB-CB 4.35Å; D530-L545 PolarHBondContact N-O 3.49Å; D530-L545 VanDerWaalsContact N-O 3.1Å; D530-L545 PolarHBondContact O-N 3.07Å
531K89.8Confident86Confident138 Ų13887.6 Ų87.660%0.646%0.463SS*.EExtended strand (participates in β ladder)trans-117.2137.6-176.2-71.1-176.2-179.8179.90110.5D529 T543D529-K531 PolarHBondContact O-N 2.9Å; K531-T543 VanDerWaalsContact CA-O 3.32Å; K531-T543 WeakPolarHBondContact CA-O 3.12Å
532L91.2Very high86.6Confident30 Ų3085 Ų8516%0.15746%0.455CS..EExtended strand (participates in β ladder)trans-131.2128.9173-171.169000110.5H496 C499 L534 T543 L617H496-L532 HydrophobicContact CB-CB 4.34Å; H496-L532 HydrophobicContact CB-CD2 3.9Å; C499-L532 HydrophobicContact CB-CD2 4.32Å; L532-L534 HydrophobicContact CD2-CD1 4.26Å; L532-L534 HydrophobicContact CD2-CD2 3.96Å; L532-L534 HydrophobicContact CD2-CG 4.11Å; L532-L534 HydrophobicContact CG-CD2 4.31Å; L532-L534 HydrophobicContact CG-CG 4.19Å; L532-T543 WeakPolarHBondContact CB-OG1 3.27Å; L532-T543 PolarHBondContact N-O 2.81Å; L532-T543 PolarHBondContact O-N 2.67Å; L532-T543 PolarHBondContact O-OG1 2.92Å; L532-L617 HydrophobicContact CD1-CD2 3.89Å; L532-L617 HydrophobicContact CD2-CD2 4.04Å; L532-L617 HydrophobicContact CG-CD2 4.24Å
533T93.3Very high87.2Confident48 Ų4879 Ų7929%0.29443%0.432SS..EExtended strand (participates in β ladder)trans-101.4118.9174.6-56.60000109.2V540 M541 I542 A618T533-V540 HydrophobicContact CG2-CG1 3.62Å; T533-M541 WeakPolarHBondContact CA-O 3.43Å; T533-I542 HydrophobicContact CG2-CG1 4.23Å; T533-A618 HydrophobicContact CG2-CB 3.61Å; T533-A618 PolarHBondContact O-N 2.98Å
534L94.4Very high87.5Confident0 Ų073.5 Ų73.50%041%0.406CS..EExtended strand (participates in β ladder)trans-114.8143.1-179.4-65.5162.2000108.7A492 A495 L532 M541 T543 A601 F615 E616 L617A492-L534 HydrophobicContact CB-CD1 3.84Å; A495-L534 HydrophobicContact CB-CD1 4Å; A495-L534 HydrophobicContact CB-CD2 4.38Å; L532-L534 HydrophobicContact CD2-CD1 4.26Å; L532-L534 HydrophobicContact CD2-CD2 3.96Å; L532-L534 HydrophobicContact CD2-CG 4.11Å; L532-L534 HydrophobicContact CG-CD2 4.31Å; L532-L534 HydrophobicContact CG-CG 4.19Å; L534-M541 HydrophobicContact CB-CE 4.34Å; L534-M541 PolarHBondContact N-O 3.48Å; L534-M541 PolarHBondContact O-N 3.45Å; L534-T543 HydrophobicContact CD1-CG2 4.47Å; L534-A601 HydrophobicContact CD2-CB 4.36Å; L534-F615 HydrophobicContact CB-CB 4.28Å; L534-F615 HydrophobicContact CB-CD1 4.23Å; L534-F615 HydrophobicContact CB-CG 4.29Å; L534-F615 HydrophobicContact CD2-CB 3.75Å; L534-F615 HydrophobicContact CD2-CD2 4.49Å; L534-F615 HydrophobicContact CD2-CG 4.16Å; L534-E616 CarbonylContact C-O 3.38Å; L534-E616 WeakPolarHBondContact CA-O 3.34Å; L534-L617 HydrophobicContact CD2-CD2 3.58Å
535R93.4Very high87.6Confident85 Ų8566.1 Ų66.132%0.32137%0.366SS..EExtended strand (participates in β ladder)trans-114.5131.1171.9-173.9-170.9-62.1136-3.9109.5G537 A539 F615 E616R535-G537 WeakPolarHBondContact CD-O 3.45Å; R535-G537 VanDerWaalsContact CG-O 3.31Å; R535-G537 WeakPolarHBondContact CG-O 3.47Å; R535-A539 CarbonylContact C-O 3.56Å; R535-A539 VanDerWaalsContact CA-O 3.31Å; R535-A539 WeakPolarHBondContact CA-O 3.47Å; R535-A539 WeakPolarHBondContact CG-O 3.36Å; R535-F615 WeakPolarHBondContact O-CA 3.39Å; R535-E616 HydrophobicContact CB-CB 4.2Å; R535-E616 IonicContact CZ-OE2 3.8Å; R535-E616 PolarHBondContact N-O 2.89Å; R535-E616 IonicContact NH1-OE2 3.14Å; R535-E616 PolarHBondContact NH1-OE2 3.19Å; R535-E616 PolarHBondContact O-N 2.9Å
536W91.1Very high87.7Confident68 Ų6867.1 Ų67.126%0.25837%0.365SS..EExtended strand (participates in β ladder)trans-121.9103.4173.4-179.877.1000108.8C482 L488 K538 A539 F615C482-W536 WeakPolarHBondContact O-CZ2 3.33Å; L488-W536 HydrophobicContact CD1-CB 4.47Å; L488-W536 HydrophobicContact CD1-CD2 3.92Å; L488-W536 HydrophobicContact CD1-CG 3.85Å; L488-W536 HydrophobicContact CD2-CD2 3.84Å; L488-W536 HydrophobicContact CD2-CE3 3.61Å; L488-W536 HydrophobicContact CD2-CG 4.33Å; L488-W536 HydrophobicContact CD2-CZ3 3.99Å; W536-K538 PolarHBondContact O-N 3.36Å; W536-K538 VanDerWaalsContact O-N 3.11Å; W536-A539 HydrophobicContact CE3-CB 4.29Å; W536-A539 PolarHBondContact N-O 3.5Å; W536-A539 WeakPolarHBondContact O-CB 3.42Å; W536-A539 PolarHBondContact O-N 2.81Å; W536-F615 HydrophobicContact CB-CD1 3.89Å; W536-F615 HydrophobicContact CB-CE1 3.89Å; W536-F615 HydrophobicContact CG-CE1 4.26Å
537G85.8Confident87.7Confident66 Ų6665.4 Ų65.468%0.6835%0.347SS*.THydrogen-bonded Turntrans57.9-116.3-169.300000110.9R535R535-G537 WeakPolarHBondContact CD-O 3.45Å; R535-G537 VanDerWaalsContact CG-O 3.31Å; R535-G537 WeakPolarHBondContact CG-O 3.47Å
538K84.5Confident87.5Confident213 Ų21365.4 Ų65.493%0.92635%0.347SS*.THydrogen-bonded Turntrans-91.9-12.8175.2-64.7-176.5179.8179.90113.6W536W536-K538 PolarHBondContact O-N 3.36Å; W536-K538 VanDerWaalsContact O-N 3.11Å
539A88.1Confident87.5Confident44 Ų4465.2 Ų65.236%0.36435%0.347SS..EExtended strand (participates in β ladder)trans-79.2137.9-178.500000110.6R535 W536R535-A539 CarbonylContact C-O 3.56Å; R535-A539 VanDerWaalsContact CA-O 3.31Å; R535-A539 WeakPolarHBondContact CA-O 3.47Å; R535-A539 WeakPolarHBondContact CG-O 3.36Å; W536-A539 HydrophobicContact CE3-CB 4.29Å; W536-A539 PolarHBondContact N-O 3.5Å; W536-A539 WeakPolarHBondContact O-CB 3.42Å; W536-A539 PolarHBondContact O-N 2.81Å
540V90.1Very high87.7Confident90 Ų9064.6 Ų64.655%0.54535%0.347SS..EExtended strand (participates in β ladder)trans-110.2126.4173.1179.50000108.2T533T533-V540 HydrophobicContact CG2-CG1 3.62Å
541M91.9Very high88Confident14 Ų1468.6 Ų68.67%0.06936%0.363CS..EExtended strand (participates in β ladder)trans-118.1131.5179.7-58.5-169.4-54.200109.4L488 A492 T533 L534 F615L488-M541 HydrophobicContact CD2-SD 4.18Å; L488-M541 HydrophobicContact CG-CE 4.38Å; L488-M541 HydrophobicContact CG-SD 3.94Å; A492-M541 HydrophobicContact CB-CE 3.36Å; A492-M541 HydrophobicContact CB-SD 4.2Å; T533-M541 WeakPolarHBondContact CA-O 3.43Å; L534-M541 HydrophobicContact CB-CE 4.34Å; L534-M541 PolarHBondContact N-O 3.48Å; L534-M541 PolarHBondContact O-N 3.45Å; M541-F615 HydrophobicContact CE-CD1 3.76Å; M541-F615 HydrophobicContact CE-CE1 3.09Å; M541-F615 HydrophobicContact CE-CZ 3.66Å
542I90.9Very high88.2Confident88 Ų8862.5 Ų62.545%0.45134%0.337SS..EExtended strand (participates in β ladder)trans-114.1120.4176-56176.1000107.5T533T533-I542 HydrophobicContact CG2-CG1 4.23Å
543T92.5Very high88.4Confident0 Ų062.9 Ų62.90%034%0.342CS..EExtended strand (participates in β ladder)trans-104.8131.9176.450.80000108.2A492 H496 K531 L532 L534 K555 V556A492-T543 HydrophobicContact CB-CG2 3.74Å; H496-T543 VanDerWaalsContact ND1-CB 3.34Å; H496-T543 WeakPolarHBondContact ND1-CB 3.32Å; H496-T543 PolarHBondContact ND1-OG1 2.88Å; K531-T543 VanDerWaalsContact CA-O 3.32Å; K531-T543 WeakPolarHBondContact CA-O 3.12Å; L532-T543 WeakPolarHBondContact CB-OG1 3.27Å; L532-T543 PolarHBondContact N-O 2.81Å; L532-T543 PolarHBondContact O-N 2.67Å; L532-T543 PolarHBondContact O-OG1 2.92Å; L534-T543 HydrophobicContact CD1-CG2 4.47Å; T543-K555 WeakPolarHBondContact CA-O 2.94Å; T543-V556 HydrophobicContact CG2-CG2 3.71Å
544S90.4Very high88.5Confident18 Ų1860.6 Ų60.613%0.12633%0.328CS..EExtended strand (participates in β ladder)trans-117.3120.6172.2-54.40000109.2D530 F554 K555D530-S544 CarbonylContact O-C 3.49Å; D530-S544 WeakPolarHBondContact O-CA 3.49Å; S544-F554 CarbonylContact O-C 3.57Å; S544-F554 VanDerWaalsContact O-CA 3.26Å; S544-F554 WeakPolarHBondContact O-CA 3.26Å; S544-K555 PolarHBondContact N-O 2.9Å; S544-K555 PolarHBondContact O-N 3.15Å
545L89.7Confident88.5Confident4 Ų465.9 Ų65.92%0.02135%0.351CS..EExtended strand (participates in β ladder)trans-101.4125.6-176.7166.360.8000110.3H496 Y500 D529 D530 F552 F554H496-L545 WeakPolarHBondContact CE1-CB 3.43Å; Y500-L545 HydrophobicContact CD1-CD2 4.14Å; Y500-L545 HydrophobicContact CD2-CD2 3.7Å; Y500-L545 HydrophobicContact CE2-CD2 4.31Å; Y500-L545 HydrophobicContact CG-CD2 3.62Å; D529-L545 WeakPolarHBondContact CA-O 3.41Å; D529-L545 WeakPolarHBondContact CB-O 3.34Å; D530-L545 HydrophobicContact CB-CB 4.35Å; D530-L545 PolarHBondContact N-O 3.49Å; D530-L545 VanDerWaalsContact N-O 3.1Å; D530-L545 PolarHBondContact O-N 3.07Å; L545-F552 HydrophobicContact CD1-CB 3.88Å; L545-F552 HydrophobicContact CD1-CD1 3.89Å; L545-F552 HydrophobicContact CD1-CG 4.39Å; L545-F554 HydrophobicContact CB-CD1 3.97Å; L545-F554 HydrophobicContact CB-CE1 3.78Å; L545-F554 HydrophobicContact CD1-CD1 4.16Å; L545-F554 HydrophobicContact CD1-CE1 3.67Å; L545-F554 HydrophobicContact CD1-CE2 4.08Å; L545-F554 HydrophobicContact CD1-CZ 3.61Å; L545-F554 HydrophobicContact CD2-CE1 4.14Å; L545-F554 HydrophobicContact CD2-CZ 4.35Å; L545-F554 HydrophobicContact CG-CE1 4.05Å; L545-F554 HydrophobicContact CG-CZ 4.37Å
546K86.1Confident88.5Confident140 Ų14062.3 Ų62.361%0.60934%0.339SS*.EExtended strand (participates in β ladder)trans-106.7119.9165-169172-176.8174.20110S553K546-S553 PolarHBondContact N-O 3.32Å; K546-S553 PolarHBondContact O-N 2.91Å
547E75.9Confident88.5Confident76 Ų7661.9 Ų61.936%0.35536%0.356SS..EExtended strand (participates in β ladder)trans-83.8132.5-172170.4175.4-177.900112.9Y500 R504 P549Y500-E547 PolarHBondContact OH-OE1 3.45Å; Y500-E547 PolarHBondContact OH-OE2 3.28Å; R504-E547 IonicContact CZ-OE1 2.79Å; R504-E547 IonicContact NH1-OE1 3.8Å; R504-E547 PolarHBondContact NH1-OE1 3.13Å; R504-E547 IonicContact NH2-OE1 2.65Å; E547-P549 VanDerWaalsContact CG-CD 3.45Å; E547-P549 HydrophobicContact CG-CG 3.74Å; E547-P549 WeakPolarHBondContact OE1-CG 3.38Å
548S72.7Confident88.8Confident77 Ų7767.7 Ų67.754%0.53837%0.365SS..EExtended strand (participates in β ladder)trans-156.563.8165.3-173.50000111.4F551S548-F551 CarbonylContact C-O 3.48Å; S548-F551 WeakPolarHBondContact CA-O 3.46Å; S548-F551 PolarHBondContact N-O 3.1Å; S548-F551 CarbonylContact O-C 3.53Å; S548-F551 WeakPolarHBondContact O-CA 3.25Å; S548-F551 WeakPolarHBondContact O-CB 3.5Å; S548-F551 PolarHBondContact O-N 3.15Å
549P77.9Confident89.2Confident64 Ų6462.9 Ų62.942%0.41635%0.346SS..THydrogen-bonded Turntrans-56138.5-166-19.433.2000111.4E547 F551 F552E547-P549 VanDerWaalsContact CG-CD 3.45Å; E547-P549 HydrophobicContact CG-CG 3.74Å; E547-P549 WeakPolarHBondContact OE1-CG 3.38Å; P549-F551 VanDerWaalsContact C-N 3.3Å; P549-F552 HydrophobicContact CB-CZ 4.03Å; P549-F552 HydrophobicContact CG-CE1 4.3Å; P549-F552 HydrophobicContact CG-CZ 4.21Å
550P86.2Confident89.5Confident59 Ų5966 Ų6638%0.38336%0.355SS..THydrogen-bonded Turncis-82.67.77.235.3-37.6000114.8F552 T564 C565P550-F552 VanDerWaalsContact O-CD2 3.27Å; P550-F552 WeakPolarHBondContact O-CD2 3.24Å; P550-F552 VanDerWaalsContact O-CE2 3.25Å; P550-F552 WeakPolarHBondContact O-CE2 3.27Å; P550-T564 HydrophobicContact CB-CG2 4.37Å; P550-T564 HydrophobicContact CG-CG2 4.47Å; P550-T564 WeakPolarHBondContact O-CA 3.27Å; P550-C565 WeakPolarHBondContact CB-O 3.29Å; P550-C565 PolarHBondContact O-N 3.05Å
551F92.5Very high89.8Confident118 Ų11861.8 Ų61.852%0.51833%0.33SS..EExtended strand (participates in β ladder)trans-97.8130.6-177.5-50.7-81000111.1S548 P549 T564S548-F551 CarbonylContact C-O 3.48Å; S548-F551 WeakPolarHBondContact CA-O 3.46Å; S548-F551 PolarHBondContact N-O 3.1Å; S548-F551 CarbonylContact O-C 3.53Å; S548-F551 WeakPolarHBondContact O-CA 3.25Å; S548-F551 WeakPolarHBondContact O-CB 3.5Å; S548-F551 PolarHBondContact O-N 3.15Å; P549-F551 VanDerWaalsContact C-N 3.3Å; F551-T564 HydrophobicContact CD1-CG2 4.05Å; F551-T564 WeakPolarHBondContact CD1-OG1 3.45Å; F551-T564 HydrophobicContact CE1-CG2 4Å
552F93.7Very high90Very high10 Ų1068.6 Ų68.64%0.04436%0.359CS..EExtended strand (participates in β ladder)trans-126.5128.1-177.9-59.2-90000108.6L497 Y500 L545 P549 P550 F554 I563 C565L497-F552 HydrophobicContact CD1-CB 4.47Å; L497-F552 HydrophobicContact CD1-CD1 3.67Å; L497-F552 HydrophobicContact CD1-CD2 3.97Å; L497-F552 HydrophobicContact CD1-CE1 3.8Å; L497-F552 HydrophobicContact CD1-CE2 4.1Å; L497-F552 HydrophobicContact CD1-CG 3.76Å; L497-F552 HydrophobicContact CD1-CZ 4.02Å; L497-F552 HydrophobicContact CD2-CD2 4.46Å; Y500-F552 HydrophobicContact CD1-CE1 4.24Å; Y500-F552 AromaticContact CE1-CE1 3.89Å; Y500-F552 HydrophobicContact CE1-CE1 3.89Å; L545-F552 HydrophobicContact CD1-CB 3.88Å; L545-F552 HydrophobicContact CD1-CD1 3.89Å; L545-F552 HydrophobicContact CD1-CG 4.39Å; P549-F552 HydrophobicContact CB-CZ 4.03Å; P549-F552 HydrophobicContact CG-CE1 4.3Å; P549-F552 HydrophobicContact CG-CZ 4.21Å; P550-F552 VanDerWaalsContact O-CD2 3.27Å; P550-F552 WeakPolarHBondContact O-CD2 3.24Å; P550-F552 VanDerWaalsContact O-CE2 3.25Å; P550-F552 WeakPolarHBondContact O-CE2 3.27Å; F552-F554 HydrophobicContact CB-CD2 4.33Å; F552-F554 HydrophobicContact CB-CE2 3.51Å; F552-F554 HydrophobicContact CB-CZ 4.04Å; F552-I563 PolarHBondContact N-O 3.13Å; F552-I563 PolarHBondContact O-N 3.26Å; F552-C565 HydrophobicContact CD2-CB 4.18Å; F552-C565 HydrophobicContact CE2-CB 3.82Å
553S94.5Very high90.2Very high39 Ų3964.4 Ų64.427%0.27334%0.338SS..EExtended strand (participates in β ladder)trans-111.2119.6176.8-170.30000108.9K546 I560K546-S553 PolarHBondContact N-O 3.32Å; K546-S553 PolarHBondContact O-N 2.91Å; S553-I560 WeakPolarHBondContact OG-CG2 3.42Å
554F95.4Very high90.4Very high0 Ų066.1 Ų66.10%035%0.348CS..EExtended strand (participates in β ladder)trans-107.9137.7178-62.5-92.3000110C493 H496 L497 S544 L545 F552 I560 Y561 I563C493-F554 HydrophobicContact CB-CB 4.03Å; C493-F554 HydrophobicContact CB-CD1 4.13Å; C493-F554 HydrophobicContact CB-CD2 3.9Å; C493-F554 HydrophobicContact CB-CE2 4.42Å; C493-F554 HydrophobicContact CB-CG 3.75Å; C493-F554 WeakPolarHBondContact O-CE1 3.28Å; C493-F554 WeakPolarHBondContact SG-CB 3.34Å; H496-F554 HydrophobicContact CB-CD1 4.3Å; H496-F554 HydrophobicContact CB-CE1 3.86Å; H496-F554 AromaticContact CG-CE1 3.77Å; H496-F554 AromaticContact ND1-CD1 3.59Å; H496-F554 AromaticContact ND1-CE1 3.59Å; L497-F554 HydrophobicContact CB-CE1 4.48Å; L497-F554 HydrophobicContact CB-CE2 4.46Å; L497-F554 HydrophobicContact CB-CZ 3.71Å; L497-F554 HydrophobicContact CD1-CZ 4.16Å; L497-F554 HydrophobicContact CG-CZ 4.36Å; S544-F554 CarbonylContact O-C 3.57Å; S544-F554 VanDerWaalsContact O-CA 3.26Å; S544-F554 WeakPolarHBondContact O-CA 3.26Å; L545-F554 HydrophobicContact CB-CD1 3.97Å; L545-F554 HydrophobicContact CB-CE1 3.78Å; L545-F554 HydrophobicContact CD1-CD1 4.16Å; L545-F554 HydrophobicContact CD1-CE1 3.67Å; L545-F554 HydrophobicContact CD1-CE2 4.08Å; L545-F554 HydrophobicContact CD1-CZ 3.61Å; L545-F554 HydrophobicContact CD2-CE1 4.14Å; L545-F554 HydrophobicContact CD2-CZ 4.35Å; L545-F554 HydrophobicContact CG-CE1 4.05Å; L545-F554 HydrophobicContact CG-CZ 4.37Å; F552-F554 HydrophobicContact CB-CD2 4.33Å; F552-F554 HydrophobicContact CB-CE2 3.51Å; F552-F554 HydrophobicContact CB-CZ 4.04Å; F554-I560 CarbonylContact O-C 3.56Å; F554-I560 VanDerWaalsContact O-CA 3.32Å; F554-I560 WeakPolarHBondContact O-CA 3.5Å; F554-Y561 PolarHBondContact N-O 3.01Å; F554-Y561 PolarHBondContact O-N 3.33Å; F554-I563 HydrophobicContact CD2-CD1 3.83Å; F554-I563 HydrophobicContact CD2-CG1 4.24Å; F554-I563 HydrophobicContact CE2-CB 4.29Å; F554-I563 HydrophobicContact CE2-CD1 3.87Å; F554-I563 HydrophobicContact CE2-CG1 4.36Å
555K95.2Very high90.5Very high111 Ų11165.8 Ų65.848%0.48335%0.346SS..EExtended strand (participates in β ladder)trans-105.6126.7167.3-174.2178.2177.9177.20109.4T543 S544 G557 E559T543-K555 WeakPolarHBondContact CA-O 2.94Å; S544-K555 PolarHBondContact N-O 2.9Å; S544-K555 PolarHBondContact O-N 3.15Å; K555-G557 WeakPolarHBondContact CE-O 3.47Å; K555-E559 WeakPolarHBondContact CA-O 3.41Å
556V94.2Very high90.3Very high9 Ų969 Ų696%0.05537%0.373CS..EExtended strand (participates in β ladder)trans-129.4113.4174.3-171.60000107.9N489 C493 T543 E558 E559 Y561N489-V556 HydrophobicContact CB-CG1 4.25Å; C493-V556 VanDerWaalsContact SG-CG2 3.59Å; T543-V556 HydrophobicContact CG2-CG2 3.71Å; V556-E558 PolarHBondContact O-N 3.04Å; V556-E559 PolarHBondContact N-O 2.8Å; V556-E559 PolarHBondContact O-N 3.39Å; V556-Y561 HydrophobicContact CB-CD2 4.44Å; V556-Y561 HydrophobicContact CB-CE2 4.21Å; V556-Y561 HydrophobicContact CG2-CD2 4.22Å; V556-Y561 HydrophobicContact CG2-CE2 4.4Å
557G90.6Very high90.6Very high60 Ų6071.3 Ų71.362%0.61938%0.378SS*.THydrogen-bonded Turntrans59.8-121.1-168.100000111.1K555K555-G557 WeakPolarHBondContact CE-O 3.47Å
558E90.9Very high91.5Very high188 Ų18870.2 Ų70.288%0.87938%0.379SS*.THydrogen-bonded Turntrans-94.9-11.4175.2-61.3-165.2161.900113.5V556V556-E558 PolarHBondContact O-N 3.04Å
559E94.1Very high92.6Very high111 Ų11172.3 Ų72.352%0.51938%0.382SS..EExtended strand (participates in β ladder)trans-88.4153.2-174.2-65.2-149.2139.600113.3K555 V556 Y561K555-E559 WeakPolarHBondContact CA-O 3.41Å; V556-E559 PolarHBondContact N-O 2.8Å; V556-E559 PolarHBondContact O-N 3.39Å; E559-Y561 HydrophobicContact CB-CD2 4.42Å; E559-Y561 HydrophobicContact CB-CE2 3.67Å; E559-Y561 PolarHBondContact OE2-OH 3.25Å
560I94.5Very high93.4Very high110 Ų11071.2 Ų71.256%0.56437%0.374SS*.EExtended strand (participates in β ladder)trans-119.7122.7179.4-60.1175.8000109.9S553 F554 K562S553-I560 WeakPolarHBondContact OG-CG2 3.42Å; F554-I560 CarbonylContact O-C 3.56Å; F554-I560 VanDerWaalsContact O-CA 3.32Å; F554-I560 WeakPolarHBondContact O-CA 3.5Å; I560-K562 HydrophobicContact CG2-CG 4.37Å
561Y95.9Very high93.8Very high1 Ų171.6 Ų71.60%0.00437%0.374CS..EExtended strand (participates in β ladder)trans-108.2117.2178-65.3-101.7000109.5Q486 N489 L490 F554 V556 E559 Y585Q486-Y561 HydrophobicContact CG-CE1 4.29Å; N489-Y561 HydrophobicContact CB-CE1 4.17Å; N489-Y561 HydrophobicContact CB-CE2 3.98Å; N489-Y561 WeakPolarHBondContact CB-OH 3.32Å; N489-Y561 PolarHBondContact ND2-OH 3.36Å; L490-Y561 HydrophobicContact CB-CD1 4.48Å; L490-Y561 HydrophobicContact CB-CE1 4.5Å; L490-Y561 HydrophobicContact CD1-CD1 4.2Å; F554-Y561 PolarHBondContact N-O 3.01Å; F554-Y561 PolarHBondContact O-N 3.33Å; V556-Y561 HydrophobicContact CB-CD2 4.44Å; V556-Y561 HydrophobicContact CB-CE2 4.21Å; V556-Y561 HydrophobicContact CG2-CD2 4.22Å; V556-Y561 HydrophobicContact CG2-CE2 4.4Å; E559-Y561 HydrophobicContact CB-CD2 4.42Å; E559-Y561 HydrophobicContact CB-CE2 3.67Å; E559-Y561 PolarHBondContact OE2-OH 3.25Å; Y561-Y585 AromaticContact CD1-CE2 3.75Å; Y561-Y585 HydrophobicContact CD1-CE2 3.75Å; Y561-Y585 AromaticContact CD1-CZ 3.85Å; Y561-Y585 HydrophobicContact CG-CE2 4.45Å
562K95.5Very high93.8Very high157 Ų15769.3 Ų69.368%0.68337%0.366SS*.EExtended strand (participates in β ladder)trans-100.9112.5177.9-66.5178.5178.9173.50109.6I560 Y585I560-K562 HydrophobicContact CG2-CG 4.37Å; K562-Y585 WeakPolarHBondContact O-CD2 3.4Å
563I95.9Very high93.7Very high1 Ų170.6 Ų70.61%0.00538%0.379CS..EExtended strand (participates in β ladder)trans-116.7130.4-176-57176.5000108.6L490 C493 L497 F552 F554 A583 E584 Y585L490-I563 HydrophobicContact CD1-CD1 3.74Å; L490-I563 HydrophobicContact CD1-CG1 4.18Å; C493-I563 HydrophobicContact CB-CD1 3.56Å; L497-I563 HydrophobicContact CD2-CG2 4.25Å; F552-I563 PolarHBondContact N-O 3.13Å; F552-I563 PolarHBondContact O-N 3.26Å; F554-I563 HydrophobicContact CD2-CD1 3.83Å; F554-I563 HydrophobicContact CD2-CG1 4.24Å; F554-I563 HydrophobicContact CE2-CB 4.29Å; F554-I563 HydrophobicContact CE2-CD1 3.87Å; F554-I563 HydrophobicContact CE2-CG1 4.36Å; I563-A583 HydrophobicContact CG2-CB 4.11Å; I563-E584 WeakPolarHBondContact CA-O 3.45Å; I563-Y585 HydrophobicContact CG1-CD2 4.45Å
564T95.6Very high93.5Very high35 Ų3577.3 Ų77.322%0.21541%0.411CS..EExtended strand (participates in β ladder)trans-99.7129.3169-52.70000108.6P550 F551 A583 E584P550-T564 HydrophobicContact CB-CG2 4.37Å; P550-T564 HydrophobicContact CG-CG2 4.47Å; P550-T564 WeakPolarHBondContact O-CA 3.27Å; F551-T564 HydrophobicContact CD1-CG2 4.05Å; F551-T564 WeakPolarHBondContact CD1-OG1 3.45Å; F551-T564 HydrophobicContact CE1-CG2 4Å; T564-A583 CarbonylContact O-C 3.48Å; T564-A583 WeakPolarHBondContact O-CA 3.45Å; T564-E584 PolarHBondContact N-O 3.11Å; T564-E584 PolarHBondContact O-N 3.06Å
565C94.5Very high93.3Very high12 Ų1280.3 Ų80.38%0.08143%0.43CS..EExtended strand (participates in β ladder)trans-113.6102.5173-178.10000109.1L497 P550 F552L497-C565 HydrophobicContact CD2-CB 4.1Å; P550-C565 WeakPolarHBondContact CB-O 3.29Å; P550-C565 PolarHBondContact O-N 3.05Å; F552-C565 HydrophobicContact CD2-CB 4.18Å; F552-C565 HydrophobicContact CE2-CB 3.82Å
566A85.4Confident93.3Very high72 Ų7275.8 Ų75.860%0.59541%0.41SS*.EExtended strand (participates in β ladder)trans-77.8-35.7-174.200000112.2D582A566-D582 PolarHBondContact N-O 2.92Å; A566-D582 VanDerWaalsContact N-O 3.16Å
567R92.5Very high93.4Very high187 Ų18777.4 Ų77.471%0.70642%0.417SS*.EExtended strand (participates in β ladder)trans-145143179.2-60.1-177-158.3171.17.2109.7M581 D582R567-M581 WeakPolarHBondContact O-CA 3.31Å; R567-D582 PolarHBondContact O-N 3.38Å
568S94.1Very high93.7Very high54 Ų5474.6 Ų74.638%0.37839%0.388SS..EExtended strand (participates in β ladder)trans-139.9146.4168.957.90000110.8K580S568-K580 CarbonylContact C-O 3.55Å; S568-K580 WeakPolarHBondContact CA-O 3.45Å
569I95.4Very high94Very high120 Ų12065.7 Ų65.762%0.61535%0.346SS*.EExtended strand (participates in β ladder)trans-119122.7170.2-58.5173.5000105.7V579 K580I569-V579 CarbonylContact O-C 3.55Å; I569-V579 WeakPolarHBondContact O-CA 3.41Å; I569-K580 HydrophobicContact CB-CB 4.48Å; I569-K580 PolarHBondContact N-O 3.33Å; I569-K580 PolarHBondContact O-N 3.23Å
570V94.5Very high94.1Very high41 Ų4163.7 Ų63.725%0.24834%0.336CS..EExtended strand (participates in β ladder)trans-104.6125.2178.9-179.20000107.9I572 V579V570-I572 HydrophobicContact CG1-CD1 3.62Å; V570-I572 HydrophobicContact CG1-CG1 3.75Å; V570-V579 HydrophobicContact CG1-CG2 4.36Å; V570-V579 HydrophobicContact CG2-CG1 4.15Å; V570-V579 HydrophobicContact CG2-CG2 4.12Å
571D94.3Very high94.2Very high68 Ų6858.6 Ų58.636%0.36431%0.309SS..EExtended strand (participates in β ladder)trans-121.2116175.7176.931.8000108.3Y576 A578D571-Y576 WeakPolarHBondContact OD2-CE2 3.43Å; D571-Y576 PolarHBondContact OD2-OH 3.2Å; D571-A578 HydrophobicContact CB-CB 4.38Å; D571-A578 PolarHBondContact N-O 2.86Å; D571-A578 PolarHBondContact O-N 3.47Å
572I92.1Very high94.2Very high69 Ų6961.8 Ų61.835%0.35433%0.327SS..EExtended strand (participates in β ladder)trans-120.7124.3-175.7-64.9156.8000107.8M506 V570 E577M506-I572 HydrophobicContact CE-CD1 4.38Å; M506-I572 HydrophobicContact CG-CD1 3.51Å; M506-I572 HydrophobicContact SD-CD1 4.5Å; V570-I572 HydrophobicContact CG1-CD1 3.62Å; V570-I572 HydrophobicContact CG1-CG1 3.75Å; I572-E577 HydrophobicContact CG1-CG 4.39Å; I572-E577 HydrophobicContact CG2-CG 4.35Å
573A92.5Very high94.2Very high38 Ų3854.4 Ų54.431%0.31430%0.295SS..EExtended strand (participates in β ladder)trans-123.317117400000109.8T575 Y576A573-T575 PolarHBondContact O-N 3.19Å; A573-T575 VanDerWaalsContact O-N 3.11Å; A573-Y576 HydrophobicContact CB-CD1 3.91Å; A573-Y576 HydrophobicContact CB-CE1 3.59Å; A573-Y576 HydrophobicContact CB-CE2 4.24Å; A573-Y576 HydrophobicContact CB-CG 4.36Å; A573-Y576 PolarHBondContact N-O 3.19Å; A573-Y576 PolarHBondContact O-N 3.39Å
574D90.4Very high94.2Very high180 Ų18056.8 Ų56.896%0.96331%0.306SS*.THydrogen-bonded Turntrans-60.6-25.2-179.9-63.7-27.5000113.4
575T91.5Very high94.2Very high63 Ų6357.1 Ų57.139%0.38730%0.303SS..THydrogen-bonded Turntrans-106.6-11-175.5580000114.1V382 A573 Y597V382-T575 WeakPolarHBondContact CG1-O 3.34Å; A573-T575 PolarHBondContact O-N 3.19Å; A573-T575 VanDerWaalsContact O-N 3.11Å; T575-Y597 VanDerWaalsContact O-CB 3.31Å; T575-Y597 WeakPolarHBondContact O-CB 3.39Å
576Y95.4Very high94.1Very high16 Ų1660.1 Ų60.16%0.06333%0.329CS..EExtended strand (participates in β ladder)trans-158.6159.6-176.571.1-99.3000113.6V382 Y383 Q403 D571 A573 A578 Q596V382-Y576 HydrophobicContact CG1-CD1 4.25Å; V382-Y576 HydrophobicContact CG1-CG 4.4Å; V382-Y576 WeakPolarHBondContact O-CD1 3.33Å; V382-Y576 WeakPolarHBondContact O-CE1 3.27Å; Y383-Y576 HydrophobicContact CD2-CD1 4.47Å; Y383-Y576 AromaticContact CD2-CD2 3.92Å; Y383-Y576 HydrophobicContact CD2-CD2 3.92Å; Y383-Y576 HydrophobicContact CD2-CE1 4.24Å; Y383-Y576 AromaticContact CD2-CE2 3.69Å; Y383-Y576 HydrophobicContact CD2-CE2 3.69Å; Y383-Y576 HydrophobicContact CD2-CG 4.34Å; Y383-Y576 AromaticContact CD2-CZ 3.86Å; Y383-Y576 HydrophobicContact CE2-CD2 4.49Å; Y383-Y576 AromaticContact CE2-CE2 3.94Å; Y383-Y576 HydrophobicContact CE2-CE2 3.94Å; Q403-Y576 PolarHBondContact NE2-OH 3.38Å; D571-Y576 WeakPolarHBondContact OD2-CE2 3.43Å; D571-Y576 PolarHBondContact OD2-OH 3.2Å; A573-Y576 HydrophobicContact CB-CD1 3.91Å; A573-Y576 HydrophobicContact CB-CE1 3.59Å; A573-Y576 HydrophobicContact CB-CE2 4.24Å; A573-Y576 HydrophobicContact CB-CG 4.36Å; A573-Y576 PolarHBondContact N-O 3.19Å; A573-Y576 PolarHBondContact O-N 3.39Å; Y576-A578 HydrophobicContact CD2-CB 3.77Å; Y576-A578 HydrophobicContact CE2-CB 3.73Å; Y576-Q596 CarbonylContact C-O 3.57Å; Y576-Q596 VanDerWaalsContact CA-O 3.26Å; Y576-Q596 WeakPolarHBondContact CA-O 3.36Å
577E95.6Very high94.5Very high43 Ų4364 Ų6420%0.20134%0.34CS..EExtended strand (participates in β ladder)trans-123110.3168.9-59.5169.2-158.300108.5A502 M506 I572 V595 Q596A502-E577 HydrophobicContact CB-CB 4Å; A502-E577 WeakPolarHBondContact CB-OE2 3.26Å; M506-E577 HydrophobicContact CE-CG 3.98Å; M506-E577 WeakPolarHBondContact CE-OE1 3.31Å; M506-E577 VanDerWaalsContact CE-OE2 3.28Å; M506-E577 WeakPolarHBondContact CE-OE2 3.32Å; I572-E577 HydrophobicContact CG1-CG 4.39Å; I572-E577 HydrophobicContact CG2-CG 4.35Å; E577-V595 CarbonylContact O-C 3.53Å; E577-V595 WeakPolarHBondContact O-CA 3.42Å; E577-Q596 HydrophobicContact CB-CB 4.31Å; E577-Q596 PolarHBondContact N-O 3.25Å; E577-Q596 PolarHBondContact O-N 3.34Å
578A97.2Very high94.5Very high1 Ų158.3 Ų58.31%0.00832%0.321CS..EExtended strand (participates in β ladder)trans-109.2135.9-179.600000111.1Y383 D571 Y576 T594 V595Y383-A578 HydrophobicContact CD2-CB 4.03Å; Y383-A578 HydrophobicContact CE2-CB 3.56Å; D571-A578 HydrophobicContact CB-CB 4.38Å; D571-A578 PolarHBondContact N-O 2.86Å; D571-A578 PolarHBondContact O-N 3.47Å; Y576-A578 HydrophobicContact CD2-CB 3.77Å; Y576-A578 HydrophobicContact CE2-CB 3.73Å; A578-T594 CarbonylContact C-O 2.99Å; A578-T594 VanDerWaalsContact CA-O 3.24Å; A578-T594 WeakPolarHBondContact CA-O 3.48Å; A578-V595 HydrophobicContact CB-CG2 4.14Å
579V97.3Very high94.6Very high0 Ų065 Ų650%034%0.338CS..EExtended strand (participates in β ladder)trans-128116.3174-1720000109.3G498 L501 A502 I569 V570 M581 T593 T594G498-V579 WeakPolarHBondContact O-CG2 3.49Å; L501-V579 HydrophobicContact CB-CG1 4.15Å; L501-V579 HydrophobicContact CB-CG2 4.36Å; L501-V579 HydrophobicContact CD1-CG1 3.95Å; A502-V579 HydrophobicContact CB-CG2 4.04Å; I569-V579 CarbonylContact O-C 3.55Å; I569-V579 WeakPolarHBondContact O-CA 3.41Å; V570-V579 HydrophobicContact CG1-CG2 4.36Å; V570-V579 HydrophobicContact CG2-CG1 4.15Å; V570-V579 HydrophobicContact CG2-CG2 4.12Å; V579-M581 HydrophobicContact CB-CE 4.09Å; V579-M581 HydrophobicContact CG1-CE 3.89Å; V579-T593 CarbonylContact O-C 3.46Å; V579-T593 WeakPolarHBondContact O-CA 3.49Å; V579-T594 WeakPolarHBondContact CB-OG1 3.37Å; V579-T594 PolarHBondContact N-O 3.13Å; V579-T594 PolarHBondContact O-N 3.34Å; V579-T594 PolarHBondContact O-OG1 2.98Å
580K96.9Very high94.5Very high69 Ų6959.8 Ų59.830%0.331%0.311SS..EExtended strand (participates in β ladder)trans-93.8126.2170.4-57-175.8-170-172.10107.9Y383 D385 S568 I569 V592 T593Y383-K580 WeakPolarHBondContact OH-CE 3.27Å; Y383-K580 PolarHBondContact OH-NZ 3.26Å; D385-K580 IonicContact OD2-NZ 2.86Å; D385-K580 PolarHBondContact OD2-NZ 3.19Å; S568-K580 CarbonylContact C-O 3.55Å; S568-K580 WeakPolarHBondContact CA-O 3.45Å; I569-K580 HydrophobicContact CB-CB 4.48Å; I569-K580 PolarHBondContact N-O 3.33Å; I569-K580 PolarHBondContact O-N 3.23Å; K580-V592 WeakPolarHBondContact CA-O 3.44Å; K580-T593 HydrophobicContact CG-CG2 4.02Å
581M96.2Very high94.5Very high3 Ų366.4 Ų66.42%0.01533%0.332CS..EExtended strand (participates in β ladder)trans-138.6143.8-174.364.9-171.786.400112.7L497 R567 V579 A583 V592 T594L497-M581 HydrophobicContact CD2-SD 3.86Å; L497-M581 HydrophobicContact CG-SD 4.21Å; R567-M581 WeakPolarHBondContact O-CA 3.31Å; V579-M581 HydrophobicContact CB-CE 4.09Å; V579-M581 HydrophobicContact CG1-CE 3.89Å; M581-A583 HydrophobicContact CG-CB 4.45Å; M581-V592 HydrophobicContact CG-CB 3.76Å; M581-V592 HydrophobicContact CG-CG1 4.4Å; M581-V592 PolarHBondContact N-O 3.41Å; M581-V592 PolarHBondContact O-N 2.81Å; M581-V592 HydrophobicContact SD-CB 4.4Å; M581-T594 HydrophobicContact CE-CG2 3.62Å
582D96Very high94.6Very high69 Ų6963.2 Ų63.237%0.36932%0.315SS..EExtended strand (participates in β ladder)trans-93.6100.5164.6-68.8-34.8000107.5A566 R567A566-D582 PolarHBondContact N-O 2.92Å; A566-D582 VanDerWaalsContact N-O 3.16Å; R567-D582 PolarHBondContact O-N 3.38Å
583A95.4Very high94.9Very high1 Ų160.3 Ų60.31%0.00830%0.3CS..EExtended strand (participates in β ladder)trans-103.7144.6-177.100000110.9I563 T564 M581 R589 F590 V592I563-A583 HydrophobicContact CG2-CB 4.11Å; T564-A583 CarbonylContact O-C 3.48Å; T564-A583 WeakPolarHBondContact O-CA 3.45Å; M581-A583 HydrophobicContact CG-CB 4.45Å; A583-R589 CarbonylContact O-C 3.49Å; A583-R589 WeakPolarHBondContact O-CA 3.19Å; A583-F590 PolarHBondContact N-O 2.97Å; A583-F590 PolarHBondContact O-N 3.32Å; A583-V592 HydrophobicContact CB-CG2 4.28Å
584E96.2Very high95.2Very high52 Ų5258.9 Ų58.924%0.24329%0.287CS..EExtended strand (participates in β ladder)trans-122.8129.8175.1-166.6178.4127.600109.6I563 T564 E588 R589I563-E584 WeakPolarHBondContact CA-O 3.45Å; T564-E584 PolarHBondContact N-O 3.11Å; T564-E584 PolarHBondContact O-N 3.06Å; E584-E588 CarbonylContact C-O 3.51Å; E584-E588 VanDerWaalsContact CA-O 3.23Å; E584-E588 WeakPolarHBondContact CA-O 3.23Å; E584-E588 WeakPolarHBondContact CG-O 3.3Å; E584-R589 HydrophobicContact CB-CG 4.13Å; E584-R589 HydrophobicContact CG-CG 3.87Å; E584-R589 IonicContact OE2-CZ 3.27Å; E584-R589 IonicContact OE2-NE 2.71Å; E584-R589 PolarHBondContact OE2-NE 2.74Å; E584-R589 IonicContact OE2-NH2 3Å; E584-R589 PolarHBondContact OE2-NH2 2.69Å
585Y94.8Very high95.5Very high41 Ų4150.3 Ų50.316%0.16124%0.242CC..EExtended strand (participates in β ladder)trans-140.3134.8175.4169.9-102.2000108.5Q486 L490 Y561 K562 I563 N587 E588Q486-Y585 PolarHBondContact NE2-OH 3.23Å; L490-Y585 HydrophobicContact CD1-CD1 4.12Å; L490-Y585 HydrophobicContact CD1-CD2 4.04Å; L490-Y585 HydrophobicContact CD1-CE2 4.49Å; L490-Y585 HydrophobicContact CD1-CG 3.84Å; L490-Y585 HydrophobicContact CD2-CD1 3.68Å; L490-Y585 HydrophobicContact CD2-CE1 4.16Å; L490-Y585 HydrophobicContact CD2-CG 4.14Å; Y561-Y585 AromaticContact CD1-CE2 3.75Å; Y561-Y585 HydrophobicContact CD1-CE2 3.75Å; Y561-Y585 AromaticContact CD1-CZ 3.85Å; Y561-Y585 HydrophobicContact CG-CE2 4.45Å; K562-Y585 WeakPolarHBondContact O-CD2 3.4Å; I563-Y585 HydrophobicContact CG1-CD2 4.45Å; Y585-N587 VanDerWaalsContact C-N 3.26Å; Y585-N587 PolarHBondContact O-N 2.85Å; Y585-E588 PolarHBondContact N-O 2.82Å; Y585-E588 PolarHBondContact O-N 3.45Å
586A93.1Very high95.8Very high75 Ų7549.5 Ų49.562%0.6223%0.234SC*.THydrogen-bonded Turntrans50.240.7-179.100000114.6E588A586-E588 PolarHBondContact O-N 2.9Å
587N92.2Very high95.8Very high154 Ų15449.5 Ų49.582%0.82423%0.234SC*.THydrogen-bonded Turntrans64.611.5-176.3-51-49.7000115.5Y585Y585-N587 VanDerWaalsContact C-N 3.26Å; Y585-N587 PolarHBondContact O-N 2.85Å
588E94.3Very high95.4Very high67 Ų6754.2 Ų54.231%0.31326%0.26SS..EExtended strand (participates in β ladder)trans-107.1140.2171.7-171.5179.5168.800110.4E584 Y585 A586 F590 R607E584-E588 CarbonylContact C-O 3.51Å; E584-E588 VanDerWaalsContact CA-O 3.23Å; E584-E588 WeakPolarHBondContact CA-O 3.23Å; E584-E588 WeakPolarHBondContact CG-O 3.3Å; Y585-E588 PolarHBondContact N-O 2.82Å; Y585-E588 PolarHBondContact O-N 3.45Å; A586-E588 PolarHBondContact O-N 2.9Å; E588-F590 HydrophobicContact CB-CE1 4.4Å; E588-F590 HydrophobicContact CB-CE2 3.83Å; E588-F590 HydrophobicContact CB-CZ 3.59Å; E588-F590 HydrophobicContact CG-CE1 3.76Å; E588-F590 HydrophobicContact CG-CE2 3.99Å; E588-F590 HydrophobicContact CG-CZ 3.45Å; E588-F590 VanDerWaalsContact CG-CZ 3.45Å; E588-F590 WeakPolarHBondContact O-CD2 3.45Å; E588-F590 WeakPolarHBondContact O-CE2 3.43Å; E588-F590 VanDerWaalsContact OE1-CE1 3.24Å; E588-F590 WeakPolarHBondContact OE1-CE1 3.41Å; E588-R607 IonicContact OE1-CZ 2.64Å; E588-R607 IonicContact OE1-NE 3.47Å; E588-R607 PolarHBondContact OE1-NE 2.81Å; E588-R607 IonicContact OE1-NH2 2.93Å; E588-R607 PolarHBondContact OE1-NH2 3.14Å
589R94.7Very high95.1Very high195 Ų19559.6 Ų59.674%0.73628%0.283SS*.EExtended strand (participates in β ladder)trans-102.2137.8178.4-70.7-176175.3176.71.1111.8A583 E584A583-R589 CarbonylContact O-C 3.49Å; A583-R589 WeakPolarHBondContact O-CA 3.19Å; E584-R589 HydrophobicContact CB-CG 4.13Å; E584-R589 HydrophobicContact CG-CG 3.87Å; E584-R589 IonicContact OE2-CZ 3.27Å; E584-R589 IonicContact OE2-NE 2.71Å; E584-R589 PolarHBondContact OE2-NE 2.74Å; E584-R589 IonicContact OE2-NH2 3Å; E584-R589 PolarHBondContact OE2-NH2 2.69Å
590F94.9Very high95Very high11 Ų1164.1 Ų64.15%0.04830%0.303CS..EExtended strand (participates in β ladder)trans-129.4139-177.1-51.9-82.5000110W487 W494 A583 E588 V592 R607W487-F590 AromaticContact CH2-CE1 3.92Å; W487-F590 HydrophobicContact CH2-CE1 3.92Å; W487-F590 AromaticContact CH2-CZ 3.98Å; W487-F590 HydrophobicContact CH2-CZ 3.98Å; W487-F590 HydrophobicContact CZ3-CE1 4.11Å; W487-F590 HydrophobicContact CZ3-CZ 4.2Å; W494-F590 HydrophobicContact CH2-CB 4.13Å; W494-F590 HydrophobicContact CH2-CD1 4.23Å; W494-F590 HydrophobicContact CH2-CD2 4.04Å; W494-F590 AromaticContact CH2-CG 3.85Å; W494-F590 HydrophobicContact CH2-CG 3.85Å; W494-F590 HydrophobicContact CZ2-CB 4.05Å; W494-F590 AromaticContact CZ2-CD2 3.69Å; W494-F590 HydrophobicContact CZ2-CD2 3.69Å; W494-F590 HydrophobicContact CZ2-CE2 4.31Å; W494-F590 AromaticContact CZ2-CG 3.87Å; W494-F590 HydrophobicContact CZ2-CG 3.87Å; A583-F590 PolarHBondContact N-O 2.97Å; A583-F590 PolarHBondContact O-N 3.32Å; E588-F590 HydrophobicContact CB-CE1 4.4Å; E588-F590 HydrophobicContact CB-CE2 3.83Å; E588-F590 HydrophobicContact CB-CZ 3.59Å; E588-F590 HydrophobicContact CG-CE1 3.76Å; E588-F590 HydrophobicContact CG-CE2 3.99Å; E588-F590 HydrophobicContact CG-CZ 3.45Å; E588-F590 VanDerWaalsContact CG-CZ 3.45Å; E588-F590 WeakPolarHBondContact O-CD2 3.45Å; E588-F590 WeakPolarHBondContact O-CE2 3.43Å; E588-F590 VanDerWaalsContact OE1-CE1 3.24Å; E588-F590 WeakPolarHBondContact OE1-CE1 3.41Å; F590-V592 HydrophobicContact CB-CG2 3.85Å; F590-R607 HydrophobicContact CD1-CG 3.88Å; F590-R607 HydrophobicContact CE1-CG 3.74Å
591R94.5Very high95Very high180 Ų18061 Ų6168%0.67929%0.29SS*.EExtended strand (participates in β ladder)trans-90.7114.3163.1-174.7178.7-67.4161.50.1107.9
592V96.4Very high95Very high0 Ų060.9 Ų60.90%029%0.29CS..EExtended strand (participates in β ladder)trans-117.6140.1-176.4-175.90000109W494 K580 M581 A583 F590 T594 V603 Y604W494-V592 HydrophobicContact CB-CG1 4.02Å; W494-V592 HydrophobicContact CD2-CB 4.47Å; W494-V592 HydrophobicContact CD2-CG1 4Å; W494-V592 HydrophobicContact CD2-CG2 3.75Å; W494-V592 HydrophobicContact CE3-CG1 4.06Å; W494-V592 HydrophobicContact CE3-CG2 3.9Å; W494-V592 HydrophobicContact CG-CG1 3.99Å; W494-V592 HydrophobicContact CG-CG2 4.31Å; W494-V592 HydrophobicContact CH2-CG2 4.08Å; W494-V592 HydrophobicContact CZ2-CG2 3.92Å; W494-V592 HydrophobicContact CZ3-CG2 4.07Å; K580-V592 WeakPolarHBondContact CA-O 3.44Å; M581-V592 HydrophobicContact CG-CB 3.76Å; M581-V592 HydrophobicContact CG-CG1 4.4Å; M581-V592 PolarHBondContact N-O 3.41Å; M581-V592 PolarHBondContact O-N 2.81Å; M581-V592 HydrophobicContact SD-CB 4.4Å; A583-V592 HydrophobicContact CB-CG2 4.28Å; F590-V592 HydrophobicContact CB-CG2 3.85Å; V592-T594 HydrophobicContact CG1-CG2 4.23Å; V592-V603 HydrophobicContact CG1-CG1 3.78Å; V592-Y604 WeakPolarHBondContact CA-O 3.31Å
593T97.5Very high95.1Very high9 Ų957.6 Ų57.66%0.05527%0.272CS..EExtended strand (participates in β ladder)trans-124124.7169.4-57.90000108.2V579 K580 V595 Y604V579-T593 CarbonylContact O-C 3.46Å; V579-T593 WeakPolarHBondContact O-CA 3.49Å; K580-T593 HydrophobicContact CG-CG2 4.02Å; T593-V595 HydrophobicContact CG2-CG2 4.24Å; T593-Y604 HydrophobicContact CG2-CD2 4.43Å; T593-Y604 PolarHBondContact N-O 3.34Å; T593-Y604 VanDerWaalsContact N-O 3.08Å; T593-Y604 WeakPolarHBondContact O-CD2 3.43Å; T593-Y604 PolarHBondContact O-N 2.9Å
594T98.1Very high95.1Very high7 Ų757.7 Ų57.74%0.04327%0.272CS..EExtended strand (participates in β ladder)trans-110135.1174.359.80000108.8W494 G498 A578 V579 M581 V592 V602 V603W494-T594 HydrophobicContact CB-CG2 4.49Å; W494-T594 WeakPolarHBondContact O-CG2 3.39Å; G498-T594 VanDerWaalsContact CA-OG1 3.25Å; G498-T594 WeakPolarHBondContact CA-OG1 3.38Å; A578-T594 CarbonylContact C-O 2.99Å; A578-T594 VanDerWaalsContact CA-O 3.24Å; A578-T594 WeakPolarHBondContact CA-O 3.48Å; V579-T594 WeakPolarHBondContact CB-OG1 3.37Å; V579-T594 PolarHBondContact N-O 3.13Å; V579-T594 PolarHBondContact O-N 3.34Å; V579-T594 PolarHBondContact O-OG1 2.98Å; M581-T594 HydrophobicContact CE-CG2 3.62Å; V592-T594 HydrophobicContact CG1-CG2 4.23Å; T594-V602 CarbonylContact C-O 3.49Å; T594-V602 VanDerWaalsContact CA-O 3.27Å; T594-V602 WeakPolarHBondContact CA-O 3.34Å; T594-V603 HydrophobicContact CG2-CG1 4.26Å; T594-V603 HydrophobicContact CG2-CG2 4.25Å
595V98.1Very high95Very high1 Ų155.2 Ų55.21%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-126.6119175.7-174.10000108.4Y383 E577 A578 T593 Y597 A601 V602 Y604Y383-V595 HydrophobicContact CD1-CG2 3.77Å; Y383-V595 HydrophobicContact CD2-CG1 4.29Å; Y383-V595 HydrophobicContact CD2-CG2 4.11Å; Y383-V595 HydrophobicContact CE1-CG2 4.09Å; Y383-V595 HydrophobicContact CE2-CG2 4.4Å; Y383-V595 HydrophobicContact CG-CG1 4.08Å; Y383-V595 HydrophobicContact CG-CG2 3.79Å; E577-V595 CarbonylContact O-C 3.53Å; E577-V595 WeakPolarHBondContact O-CA 3.42Å; A578-V595 HydrophobicContact CB-CG2 4.14Å; T593-V595 HydrophobicContact CG2-CG2 4.24Å; V595-Y597 HydrophobicContact CG1-CD1 4.26Å; V595-A601 CarbonylContact O-C 3.48Å; V595-A601 WeakPolarHBondContact O-CA 3.26Å; V595-V602 PolarHBondContact N-O 3.4Å; V595-V602 PolarHBondContact O-N 2.94Å; V595-Y604 HydrophobicContact CG2-CD2 4.43Å; V595-Y604 HydrophobicContact CG2-CE2 3.94Å
596Q96.5Very high94.7Very high46 Ų4657.1 Ų57.122%0.21528%0.28CS..EExtended strand (participates in β ladder)trans-100.5133.7170.6172.1178.4-17.400109.2C499 Y576 E577 K600 L617C499-Q596 PolarHBondContact SG-OE1 2.83Å; Y576-Q596 CarbonylContact C-O 3.57Å; Y576-Q596 VanDerWaalsContact CA-O 3.26Å; Y576-Q596 WeakPolarHBondContact CA-O 3.36Å; E577-Q596 HydrophobicContact CB-CB 4.31Å; E577-Q596 PolarHBondContact N-O 3.25Å; E577-Q596 PolarHBondContact O-N 3.34Å; Q596-K600 WeakPolarHBondContact CA-O 3.22Å; Q596-L617 HydrophobicContact CG-CD1 3.83Å
597Y95.4Very high94.4Very high16 Ų1660.2 Ų60.26%0.06328%0.275CS..EExtended strand (participates in β ladder)trans-156.1146.4172.765.3-80.5000109.8V382 C442 G443 T575 V595 K599 K600 V602V382-Y597 HydrophobicContact CB-CD2 4.33Å; V382-Y597 HydrophobicContact CB-CG 4.39Å; V382-Y597 HydrophobicContact CG1-CD1 4.26Å; V382-Y597 HydrophobicContact CG1-CD2 4.09Å; V382-Y597 HydrophobicContact CG1-CG 3.74Å; V382-Y597 HydrophobicContact CG2-CD2 4.04Å; V382-Y597 HydrophobicContact CG2-CE2 4.43Å; C442-Y597 HydrophobicContact CB-CE1 3.79Å; C442-Y597 WeakPolarHBondContact SG-CE1 3.25Å; G443-Y597 PolarHBondContact N-OH 2.9Å; T575-Y597 VanDerWaalsContact O-CB 3.31Å; T575-Y597 WeakPolarHBondContact O-CB 3.39Å; V595-Y597 HydrophobicContact CG1-CD1 4.26Å; Y597-K599 PolarHBondContact O-N 2.86Å; Y597-K600 HydrophobicContact CD1-CB 4.43Å; Y597-K600 HydrophobicContact CE1-CB 4.04Å; Y597-K600 HydrophobicContact CE2-CB 4.33Å; Y597-K600 HydrophobicContact CE2-CD 3.9Å; Y597-K600 PolarHBondContact N-O 3.4Å; Y597-K600 PolarHBondContact O-N 3.22Å; Y597-K600 WeakPolarHBondContact OH-CD 3.44Å; Y597-V602 HydrophobicContact CE1-CG2 3.75Å
598D87.2Confident94.3Very high142 Ų14253 Ų5376%0.75924%0.237SC*.THydrogen-bonded Turntrans47.6-107.5-172.6-58-34.8000111.7
599K90.9Very high93.9Very high114 Ų11452.3 Ų52.350%0.49624%0.238SC..THydrogen-bonded Turntrans-122.833175.1-60.7-179.3178.7-176.40111.5Y597 E616 L617 E619Y597-K599 PolarHBondContact O-N 2.86Å; K599-E616 CarbonylContact O-C 3.52Å; K599-E616 WeakPolarHBondContact O-CA 3.46Å; K599-L617 PolarHBondContact O-N 3.08Å; K599-E619 WeakPolarHBondContact CE-OE1 3.31Å; K599-E619 VanDerWaalsContact NZ-CD 3.33Å; K599-E619 IonicContact NZ-OE1 3.84Å; K599-E619 PolarHBondContact NZ-OE1 2.95Å
600K95Very high93.5Very high95 Ų9543.7 Ų43.741%0.41321%0.207SC..EExtended strand (participates in β ladder)trans-125.8146.3-177.7-65-178.4-179.6177.60110.4Q596 Y597 F615Q596-K600 WeakPolarHBondContact CA-O 3.22Å; Y597-K600 HydrophobicContact CD1-CB 4.43Å; Y597-K600 HydrophobicContact CE1-CB 4.04Å; Y597-K600 HydrophobicContact CE2-CB 4.33Å; Y597-K600 HydrophobicContact CE2-CD 3.9Å; Y597-K600 PolarHBondContact N-O 3.4Å; Y597-K600 PolarHBondContact O-N 3.22Å; Y597-K600 WeakPolarHBondContact OH-CD 3.44Å; K600-F615 CarbonylContact C-O 3.55Å; K600-F615 VanDerWaalsContact CA-O 3.26Å; K600-F615 WeakPolarHBondContact CA-O 3.48Å
601A96.8Very high93.4Very high3 Ų343.3 Ų43.33%0.02521%0.206CC..EExtended strand (participates in β ladder)trans-127.7121.1169.100000108.7A495 L534 V595 F615 L617A495-A601 HydrophobicContact CB-CB 4.24Å; L534-A601 HydrophobicContact CD2-CB 4.36Å; V595-A601 CarbonylContact O-C 3.48Å; V595-A601 WeakPolarHBondContact O-CA 3.26Å; A601-F615 HydrophobicContact CB-CB 4.43Å; A601-F615 PolarHBondContact N-O 2.98Å; A601-F615 PolarHBondContact O-N 2.83Å; A601-L617 HydrophobicContact CB-CD1 4.41Å; A601-L617 HydrophobicContact CB-CD2 4.12Å; A601-L617 HydrophobicContact CB-CG 4.2Å
602V97.2Very high93.3Very high1 Ų135.2 Ų35.21%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-110.8128179.5-172.60000108.7C442 T594 V595 Y597 Y604 A612 V613 N614C442-V602 HydrophobicContact CB-CG2 4.02Å; T594-V602 CarbonylContact C-O 3.49Å; T594-V602 VanDerWaalsContact CA-O 3.27Å; T594-V602 WeakPolarHBondContact CA-O 3.34Å; V595-V602 PolarHBondContact N-O 3.4Å; V595-V602 PolarHBondContact O-N 2.94Å; Y597-V602 HydrophobicContact CE1-CG2 3.75Å; V602-Y604 HydrophobicContact CB-CE2 4.12Å; V602-Y604 HydrophobicContact CG1-CD2 4.17Å; V602-Y604 HydrophobicContact CG1-CE1 4.09Å; V602-Y604 HydrophobicContact CG1-CE2 3.58Å; V602-A612 HydrophobicContact CG1-CB 4.24Å; V602-V613 WeakPolarHBondContact CA-O 3.41Å; V602-N614 WeakPolarHBondContact CG1-OD1 3.35Å; V602-N614 VanDerWaalsContact CG2-OD1 3.27Å; V602-N614 WeakPolarHBondContact CG2-OD1 3.5Å
603V97.6Very high93.2Very high0 Ų035.4 Ų35.40%018%0.179CC..EExtended strand (participates in β ladder)trans-114.3116.2-179.7-172.30000108.8W494 A495 V592 T594 F608 A612 V613 F615W494-V603 HydrophobicContact CB-CG1 3.88Å; W494-V603 HydrophobicContact CE3-CG1 4.1Å; A495-V603 HydrophobicContact CB-CG2 3.56Å; V592-V603 HydrophobicContact CG1-CG1 3.78Å; T594-V603 HydrophobicContact CG2-CG1 4.26Å; T594-V603 HydrophobicContact CG2-CG2 4.25Å; V603-F608 HydrophobicContact CB-CE2 4.38Å; V603-F608 HydrophobicContact CG1-CE2 4.03Å; V603-F608 HydrophobicContact CG1-CZ 4.35Å; V603-F608 WeakPolarHBondContact O-CE2 3.46Å; V603-A612 CarbonylContact O-C 3.49Å; V603-A612 WeakPolarHBondContact O-CA 3.33Å; V603-V613 PolarHBondContact N-O 3.39Å; V603-V613 PolarHBondContact O-N 2.84Å; V603-F615 HydrophobicContact CG2-CD2 4.22Å; V603-F615 HydrophobicContact CG2-CE2 3.98Å
604Y96.5Very high93.1Very high2 Ų239.4 Ų39.41%0.00820%0.2CC..EExtended strand (participates in β ladder)trans-99.4128.8176.6-59.4-89000111.2R440 L441 C442 V592 T593 V595 V602 S611 A612R440-Y604 HydrophobicContact CB-CD1 4.45Å; R440-Y604 HydrophobicContact CB-CE1 4.26Å; R440-Y604 HydrophobicContact CB-CE2 4.34Å; R440-Y604 HydrophobicContact CG-CG 4.43Å; L441-Y604 PolarHBondContact N-OH 3.32Å; L441-Y604 PolarHBondContact O-OH 3.25Å; C442-Y604 WeakPolarHBondContact CB-OH 3.44Å; C442-Y604 PolarHBondContact N-OH 3.47Å; V592-Y604 WeakPolarHBondContact CA-O 3.31Å; T593-Y604 HydrophobicContact CG2-CD2 4.43Å; T593-Y604 PolarHBondContact N-O 3.34Å; T593-Y604 VanDerWaalsContact N-O 3.08Å; T593-Y604 WeakPolarHBondContact O-CD2 3.43Å; T593-Y604 PolarHBondContact O-N 2.9Å; V595-Y604 HydrophobicContact CG2-CD2 4.43Å; V595-Y604 HydrophobicContact CG2-CE2 3.94Å; V602-Y604 HydrophobicContact CB-CE2 4.12Å; V602-Y604 HydrophobicContact CG1-CD2 4.17Å; V602-Y604 HydrophobicContact CG1-CE1 4.09Å; V602-Y604 HydrophobicContact CG1-CE2 3.58Å; Y604-S611 WeakPolarHBondContact CA-O 3.36Å; Y604-A612 HydrophobicContact CD1-CB 3.55Å; Y604-A612 HydrophobicContact CE1-CB 3.71Å; Y604-A612 HydrophobicContact CG-CB 4.35Å
605C93.6Very high93Very high1 Ų139.3 Ų39.31%0.00720%0.199CC..  trans-156.6135.1172.9-176.80000108.7W494 R607 F608 S611W494-C605 HydrophobicContact CZ3-CB 4.05Å; C605-R607 PolarHBondContact O-N 2.87Å; C605-R607 VanDerWaalsContact O-N 3.1Å; C605-F608 HydrophobicContact CB-CD2 3.71Å; C605-F608 HydrophobicContact CB-CE1 4.47Å; C605-F608 HydrophobicContact CB-CE2 3.45Å; C605-F608 VanDerWaalsContact CB-CE2 3.45Å; C605-F608 HydrophobicContact CB-CG 4.34Å; C605-F608 HydrophobicContact CB-CZ 3.86Å; C605-F608 WeakPolarHBondContact O-CD2 3.48Å; C605-F608 PolarHBondContact O-N 3.1Å; C605-F608 VanDerWaalsContact O-N 3.1Å; C605-S611 PolarHBondContact N-O 3.22Å; C605-S611 CarbonylContact O-C 3.55Å; C605-S611 WeakPolarHBondContact O-CA 3.5Å
606S87.7Confident92.8Very high80 Ų8043.5 Ų43.556%0.55922%0.218SC*.THydrogen-bonded Turntrans-67.3-9.6-179.359.40000114F608S606-F608 VanDerWaalsContact C-N 3.35Å
607R87.6Confident92.6Very high140 Ų14042.5 Ų42.553%0.52821%0.214SC..THydrogen-bonded Turntrans-76.7-21.5173.2-72.3-64.9-169.8-177.50.1113.1W487 E588 F590 C605W487-R607 HydrophobicContact CH2-CB 4.3Å; W487-R607 HydrophobicContact CH2-CG 4.25Å; W487-R607 HydrophobicContact CZ3-CB 4.22Å; W487-R607 HydrophobicContact CZ3-CG 4.47Å; E588-R607 IonicContact OE1-CZ 2.64Å; E588-R607 IonicContact OE1-NE 3.47Å; E588-R607 PolarHBondContact OE1-NE 2.81Å; E588-R607 IonicContact OE1-NH2 2.93Å; E588-R607 PolarHBondContact OE1-NH2 3.14Å; F590-R607 HydrophobicContact CD1-CG 3.88Å; F590-R607 HydrophobicContact CE1-CG 3.74Å; C605-R607 PolarHBondContact O-N 2.87Å; C605-R607 VanDerWaalsContact O-N 3.1Å
608F90Very high92Very high4 Ų443.1 Ų43.12%0.01822%0.222CC..SBendtrans-75.1138.5176.4-53.7-39.4000110W487 A491 W494 V603 C605 S606 T610 S611 V613W487-F608 HydrophobicContact CB-CE1 4.48Å; W487-F608 HydrophobicContact CE3-CE1 4.39Å; A491-F608 HydrophobicContact CB-CE1 4.05Å; A491-F608 HydrophobicContact CB-CE2 4.29Å; A491-F608 HydrophobicContact CB-CZ 3.54Å; W494-F608 AromaticContact CE3-CZ 3.87Å; W494-F608 HydrophobicContact CE3-CZ 3.87Å; W494-F608 HydrophobicContact CZ3-CE1 4.11Å; W494-F608 AromaticContact CZ3-CZ 3.63Å; W494-F608 HydrophobicContact CZ3-CZ 3.63Å; V603-F608 HydrophobicContact CB-CE2 4.38Å; V603-F608 HydrophobicContact CG1-CE2 4.03Å; V603-F608 HydrophobicContact CG1-CZ 4.35Å; V603-F608 WeakPolarHBondContact O-CE2 3.46Å; C605-F608 HydrophobicContact CB-CD2 3.71Å; C605-F608 HydrophobicContact CB-CE1 4.47Å; C605-F608 HydrophobicContact CB-CE2 3.45Å; C605-F608 VanDerWaalsContact CB-CE2 3.45Å; C605-F608 HydrophobicContact CB-CG 4.34Å; C605-F608 HydrophobicContact CB-CZ 3.86Å; C605-F608 WeakPolarHBondContact O-CD2 3.48Å; C605-F608 PolarHBondContact O-N 3.1Å; C605-F608 VanDerWaalsContact O-N 3.1Å; S606-F608 VanDerWaalsContact C-N 3.35Å; F608-T610 PolarHBondContact O-N 3.1Å; F608-S611 WeakPolarHBondContact O-CA 3.46Å; F608-S611 PolarHBondContact O-N 2.7Å; F608-V613 HydrophobicContact CD1-CG2 4.18Å; F608-V613 HydrophobicContact CD2-CG2 3.82Å; F608-V613 HydrophobicContact CE1-CG2 4.29Å; F608-V613 HydrophobicContact CE2-CG2 3.92Å; F608-V613 HydrophobicContact CG-CG2 3.95Å; F608-V613 HydrophobicContact CZ-CG2 4.16Å
609P85.4Confident91.3Very high52 Ų5240.3 Ų40.334%0.33821%0.205SC..THydrogen-bonded Turntrans-54.2-38.3176.4-26.734.1000112.9L480 S611L480-P609 HydrophobicContact CD1-CB 4.15Å; P609-S611 VanDerWaalsContact C-N 3.35Å
610T87.5Confident90.1Very high13 Ų1338 Ų388%0.0820%0.201CC..THydrogen-bonded Turntrans-881.2178.150.20000113.7P449 L480 F608 A612P449-T610 HydrophobicContact CB-CG2 4Å; L480-T610 HydrophobicContact CB-CG2 3.75Å; L480-T610 WeakPolarHBondContact O-CG2 3.22Å; F608-T610 PolarHBondContact O-N 3.1Å; T610-A612 PolarHBondContact O-N 2.83Å; T610-A612 PolarHBondContact OG1-O 3Å
611S91Very high88.5Confident4 Ų437.5 Ų37.53%0.02822%0.215CC..SBendtrans58.2-5.1-168.3-61.40000116.5A437 L452 Y604 C605 F608 P609A437-S611 WeakPolarHBondContact CA-OG 3.46Å; L452-S611 WeakPolarHBondContact CD1-OG 3.33Å; Y604-S611 WeakPolarHBondContact CA-O 3.36Å; C605-S611 PolarHBondContact N-O 3.22Å; C605-S611 CarbonylContact O-C 3.55Å; C605-S611 WeakPolarHBondContact O-CA 3.5Å; F608-S611 WeakPolarHBondContact O-CA 3.46Å; F608-S611 PolarHBondContact O-N 2.7Å; P609-S611 VanDerWaalsContact C-N 3.35Å
612A94.3Very high87.1Confident10 Ų1045.7 Ų45.78%0.08325%0.246CC..EExtended strand (participates in β ladder)trans-148.9145.3179.400000112.4V602 V603 Y604 T610V602-A612 HydrophobicContact CG1-CB 4.24Å; V603-A612 CarbonylContact O-C 3.49Å; V603-A612 WeakPolarHBondContact O-CA 3.33Å; Y604-A612 HydrophobicContact CD1-CB 3.55Å; Y604-A612 HydrophobicContact CE1-CB 3.71Å; Y604-A612 HydrophobicContact CG-CB 4.35Å; T610-A612 PolarHBondContact O-N 2.83Å; T610-A612 PolarHBondContact OG1-O 3Å
613V94.4Very high85.1Confident4 Ų447.5 Ų47.52%0.02426%0.258CS..EExtended strand (participates in β ladder)trans-116.3130.3167.1-177.40000108.5C482 L488 A491 V602 V603 F608 F615C482-V613 HydrophobicContact CB-CG2 4.11Å; L488-V613 HydrophobicContact CD1-CG1 3.84Å; A491-V613 HydrophobicContact CB-CB 4.12Å; A491-V613 HydrophobicContact CB-CG1 4.38Å; A491-V613 HydrophobicContact CB-CG2 4.04Å; V602-V613 WeakPolarHBondContact CA-O 3.41Å; V603-V613 PolarHBondContact N-O 3.39Å; V603-V613 PolarHBondContact O-N 2.84Å; F608-V613 HydrophobicContact CD1-CG2 4.18Å; F608-V613 HydrophobicContact CD2-CG2 3.82Å; F608-V613 HydrophobicContact CE1-CG2 4.29Å; F608-V613 HydrophobicContact CE2-CG2 3.92Å; F608-V613 HydrophobicContact CG-CG2 3.95Å; F608-V613 HydrophobicContact CZ-CG2 4.16Å; V613-F615 HydrophobicContact CB-CE2 4.24Å; V613-F615 HydrophobicContact CB-CZ 4.26Å; V613-F615 HydrophobicContact CG1-CD1 4.43Å; V613-F615 HydrophobicContact CG1-CD2 4.37Å; V613-F615 HydrophobicContact CG1-CE1 3.71Å; V613-F615 HydrophobicContact CG1-CE2 3.68Å; V613-F615 HydrophobicContact CG1-CZ 3.32Å
614N94.1Very high82.9Confident93 Ų9353.5 Ų53.550%0.49729%0.286SS..EExtended strand (participates in β ladder)trans-105.6127.6180-59.8-82.1000109.5V602V602-N614 WeakPolarHBondContact CG1-OD1 3.35Å; V602-N614 VanDerWaalsContact CG2-OD1 3.27Å; V602-N614 WeakPolarHBondContact CG2-OD1 3.5Å
615F95.6Very high80.5Confident4 Ų458.2 Ų58.22%0.01832%0.319CS..EExtended strand (participates in β ladder)trans-117148.4173.9-59.7-67.7000110.8L488 A491 A492 A495 L534 R535 W536 M541 K600 A601 V603 V613L488-F615 HydrophobicContact CD1-CE1 3.89Å; L488-F615 HydrophobicContact CD1-CZ 4.05Å; A491-F615 HydrophobicContact CB-CE2 4.03Å; A491-F615 HydrophobicContact CB-CZ 3.94Å; A492-F615 HydrophobicContact CB-CZ 4.38Å; A495-F615 HydrophobicContact CB-CD2 3.97Å; A495-F615 HydrophobicContact CB-CE2 4.19Å; L534-F615 HydrophobicContact CB-CB 4.28Å; L534-F615 HydrophobicContact CB-CD1 4.23Å; L534-F615 HydrophobicContact CB-CG 4.29Å; L534-F615 HydrophobicContact CD2-CB 3.75Å; L534-F615 HydrophobicContact CD2-CD2 4.49Å; L534-F615 HydrophobicContact CD2-CG 4.16Å; R535-F615 WeakPolarHBondContact O-CA 3.39Å; W536-F615 HydrophobicContact CB-CD1 3.89Å; W536-F615 HydrophobicContact CB-CE1 3.89Å; W536-F615 HydrophobicContact CG-CE1 4.26Å; M541-F615 HydrophobicContact CE-CD1 3.76Å; M541-F615 HydrophobicContact CE-CE1 3.09Å; M541-F615 HydrophobicContact CE-CZ 3.66Å; K600-F615 CarbonylContact C-O 3.55Å; K600-F615 VanDerWaalsContact CA-O 3.26Å; K600-F615 WeakPolarHBondContact CA-O 3.48Å; A601-F615 HydrophobicContact CB-CB 4.43Å; A601-F615 PolarHBondContact N-O 2.98Å; A601-F615 PolarHBondContact O-N 2.83Å; V603-F615 HydrophobicContact CG2-CD2 4.22Å; V603-F615 HydrophobicContact CG2-CE2 3.98Å; V613-F615 HydrophobicContact CB-CE2 4.24Å; V613-F615 HydrophobicContact CB-CZ 4.26Å; V613-F615 HydrophobicContact CG1-CD1 4.43Å; V613-F615 HydrophobicContact CG1-CD2 4.37Å; V613-F615 HydrophobicContact CG1-CE1 3.71Å; V613-F615 HydrophobicContact CG1-CE2 3.68Å; V613-F615 HydrophobicContact CG1-CZ 3.32Å
616E94.5Very high78.1Confident90 Ų9066.3 Ų66.342%0.42136%0.358SS..EExtended strand (participates in β ladder)trans-90.8135.7158.6-63.4176.3175.100108.9L534 R535 K599 A618L534-E616 CarbonylContact C-O 3.38Å; L534-E616 WeakPolarHBondContact CA-O 3.34Å; R535-E616 HydrophobicContact CB-CB 4.2Å; R535-E616 IonicContact CZ-OE2 3.8Å; R535-E616 PolarHBondContact N-O 2.89Å; R535-E616 IonicContact NH1-OE2 3.14Å; R535-E616 PolarHBondContact NH1-OE2 3.19Å; R535-E616 PolarHBondContact O-N 2.9Å; K599-E616 CarbonylContact O-C 3.52Å; K599-E616 WeakPolarHBondContact O-CA 3.46Å; E616-A618 PolarHBondContact O-N 2.78Å
617L91.9Very high75.8Confident25 Ų2566.9 Ų66.913%0.13136%0.362CS..EExtended strand (participates in β ladder)trans-80.9112.7170.9-66.2165000107.2L532 L534 Q596 K599 A601L532-L617 HydrophobicContact CD1-CD2 3.89Å; L532-L617 HydrophobicContact CD2-CD2 4.04Å; L532-L617 HydrophobicContact CG-CD2 4.24Å; L534-L617 HydrophobicContact CD2-CD2 3.58Å; Q596-L617 HydrophobicContact CG-CD1 3.83Å; K599-L617 PolarHBondContact O-N 3.08Å; A601-L617 HydrophobicContact CB-CD1 4.41Å; A601-L617 HydrophobicContact CB-CD2 4.12Å; A601-L617 HydrophobicContact CB-CG 4.2Å
618A84.2Confident73.4Confident28 Ų2864.6 Ų64.623%0.23137%0.374CS..PPolyproline II helixtrans-72.1134.1178.200000109.4T533 E616T533-A618 HydrophobicContact CG2-CB 3.61Å; T533-A618 PolarHBondContact O-N 2.98Å; E616-A618 PolarHBondContact O-N 2.78Å
619E71.5Confident70.9Confident84 Ų8468.2 Ų68.239%0.39341%0.412SS..PPolyproline II helixtrans-71.1148.5170.4-68-162.3170.700110.6K599 A621 T623K599-E619 WeakPolarHBondContact CE-OE1 3.31Å; K599-E619 VanDerWaalsContact NZ-CD 3.33Å; K599-E619 IonicContact NZ-OE1 3.84Å; K599-E619 PolarHBondContact NZ-OE1 2.95Å; E619-A621 PolarHBondContact O-N 3.09Å; E619-T623 VanDerWaalsContact CB-OG1 3.25Å; E619-T623 WeakPolarHBondContact CB-OG1 3.46Å; E619-T623 VanDerWaalsContact OE2-CB 3.32Å; E619-T623 WeakPolarHBondContact OE2-CB 3.44Å; E619-T623 PolarHBondContact OE2-OG1 2.87Å
620P65.9Low68.7Low65 Ų6573.5 Ų73.542%0.42243%0.432SS..PPolyproline II helixtrans-57.7137.3172.4-2233.4000110.9Y622 T623P620-Y622 HydrophobicContact CB-CD1 3.56Å; P620-Y622 HydrophobicContact CB-CE1 3.2Å; P620-Y622 HydrophobicContact CB-CG 4.42Å; P620-Y622 HydrophobicContact CG-CE1 3.85Å; P620-Y622 PolarHBondContact O-N 3.28Å; P620-T623 PolarHBondContact O-N 3.13Å; P620-T623 PolarHBondContact O-OG1 2.92Å
621A62.1Low66.4Low84 Ų8476.8 Ų76.869%0.69445%0.454SS*.THydrogen-bonded Turntrans-53.1-17.8-174.900000116E619 T623E619-A621 PolarHBondContact O-N 3.09Å; A621-T623 VanDerWaalsContact C-N 3.3Å; A621-T623 PolarHBondContact O-N 2.9Å
622Y66.1Low63.8Low175 Ų17583.9 Ų83.969%0.68650%0.497SS*.THydrogen-bonded Turntrans-75.7-12.9176.466.7-100.8000114P620 S625P620-Y622 HydrophobicContact CB-CD1 3.56Å; P620-Y622 HydrophobicContact CB-CE1 3.2Å; P620-Y622 HydrophobicContact CB-CG 4.42Å; P620-Y622 HydrophobicContact CG-CE1 3.85Å; P620-Y622 PolarHBondContact O-N 3.28Å; Y622-S625 PolarHBondContact O-OG 3.19Å
623T56.3Low61.7Low40 Ų4087 Ų8725%0.24553%0.53CS..THydrogen-bonded Turntrans-88.8-28.7178.160.90000113.1E619 P620 A621 S625 M626E619-T623 VanDerWaalsContact CB-OG1 3.25Å; E619-T623 WeakPolarHBondContact CB-OG1 3.46Å; E619-T623 VanDerWaalsContact OE2-CB 3.32Å; E619-T623 WeakPolarHBondContact OE2-CB 3.44Å; E619-T623 PolarHBondContact OE2-OG1 2.87Å; P620-T623 PolarHBondContact O-N 3.13Å; P620-T623 PolarHBondContact O-OG1 2.92Å; A621-T623 VanDerWaalsContact C-N 3.3Å; A621-T623 PolarHBondContact O-N 2.9Å; T623-S625 PolarHBondContact O-N 3.3Å; T623-M626 PolarHBondContact O-N 2.79Å
624E50Low59.8Low126 Ų12690.6 Ų90.659%0.58955%0.547SS*.G310 helixtrans-61.7-26.5179.4-74.4-176.1166.100112.9M626 S627E624-M626 PolarHBondContact O-N 2.65Å; E624-S627 PolarHBondContact O-OG 2.98Å
625S46.5Very low59.1Low101 Ų10191.5 Ų91.571%0.70655%0.548SS*.G310 helixtrans-71.5-8.1179.8620000114.5Y622 T623Y622-S625 PolarHBondContact O-OG 3.19Å; T623-S625 PolarHBondContact O-N 3.3Å
626M44.7Very low58.7Low170 Ų17093.2 Ų93.284%0.83756%0.559SS**G310 helixtrans-103.1-9.8-178.5-62-15678.300114.6T623 E624 A628T623-M626 PolarHBondContact O-N 2.79Å; E624-M626 PolarHBondContact O-N 2.65Å; M626-A628 PolarHBondContact O-N 2.88Å
627S39.3Very low58.6Low92 Ų9290 Ų9064%0.64354%0.544SS*.SBendtrans-9891.6179.848.90000112.4E624E624-S627 PolarHBondContact O-OG 2.98Å
628A36.9Very low58.6Low93 Ų9391.1 Ų91.177%0.76955%0.554SS**  trans35.6120.4151.200000120.5M626M626-A628 PolarHBondContact O-N 2.88Å
629G35.9Very low59Low80 Ų8090 Ų9083%0.82554%0.544SS*.  trans-61.5131.7165.400000112.6
630E40.6Very low59.7Low162 Ų16288.8 Ų88.876%0.75754%0.544SS*.  trans-71.8141.6169.5-67.5-172.1143.600110.2V632E630-V632 PolarHBondContact O-N 2.56Å; E630-V632 VanDerWaalsContact O-N 3.14Å
631P38.9Very low60.7Low82 Ų8286.7 Ų86.753%0.53253%0.529SS..  trans-66.6115.1171.8-2.616.7000108.8G633P631-G633 PolarHBondContact O-N 3.43Å
632V36.5Very low61.9Low153 Ų15384 Ų8493%0.92750%0.504SS*.THydrogen-bonded Turntrans-73.8110.7173.7-179.10000107.9E630E630-V632 PolarHBondContact O-N 2.56Å; E630-V632 VanDerWaalsContact O-N 3.14Å
633G49.2Very low63.1Low76 Ų7675.6 Ų75.678%0.78447%0.472SS*.THydrogen-bonded Turntrans136.7-12171.700000116.7P631P631-G633 PolarHBondContact O-N 3.43Å
634E55.2Low64.7Low79 Ų7974.8 Ų74.837%0.36947%0.466SS..  trans-116.6120.9179.8-68.6177.716800111.2R684 Y701E634-R684 IonicContact OE1-CZ 2.79Å; E634-R684 IonicContact OE1-NH1 3.63Å; E634-R684 IonicContact OE1-NH2 2.98Å; E634-R684 PolarHBondContact OE1-NH2 2.87Å; E634-R684 VanDerWaalsContact OE1-NH2 3.11Å; E634-R684 IonicContact OE2-CZ 3.32Å; E634-R684 IonicContact OE2-NH2 3.7Å; E634-R684 PolarHBondContact OE2-NH2 3.1Å; E634-Y701 HydrophobicContact CB-CD1 3.88Å; E634-Y701 HydrophobicContact CB-CE1 4.05Å; E634-Y701 WeakPolarHBondContact OE2-CD1 3.46Å; E634-Y701 WeakPolarHBondContact OE2-CE1 3.38Å
635Q79.5Confident66.8Low112 Ų11268.8 Ų68.852%0.52344%0.438SS..EExtended strand (participates in β ladder)trans-86.4126.1177.7-67.6-118.94.400110F678 L702Q635-F678 HydrophobicContact CB-CE1 4.19Å; Q635-F678 HydrophobicContact CB-CZ 3.67Å; Q635-F678 HydrophobicContact CG-CE1 4.11Å; Q635-F678 HydrophobicContact CG-CZ 3.68Å; Q635-F678 VanDerWaalsContact OE1-CE1 3.28Å; Q635-L702 PolarHBondContact N-O 3.2Å; Q635-L702 PolarHBondContact O-N 2.96Å
636T87.6Confident68.8Low41 Ų4169.1 Ų69.125%0.25243%0.428SS..EExtended strand (participates in β ladder)trans-110.6127.7-176.9-470000111.9K698 I700 Y701T636-K698 HydrophobicContact CG2-CB 3.58Å; T636-K698 HydrophobicContact CG2-CD 3.92Å; T636-K698 HydrophobicContact CG2-CG 3.59Å; T636-I700 CarbonylContact C-O 3.55Å; T636-I700 WeakPolarHBondContact CA-O 3.31Å; T636-Y701 HydrophobicContact CG2-CD1 4.44Å; T636-Y701 HydrophobicContact CG2-CE1 4.33Å; T636-Y701 WeakPolarHBondContact OG1-CD1 3.42Å; T636-Y701 WeakPolarHBondContact OG1-CE1 3.5Å
637I91.7Very high71Confident21 Ų2166 Ų6611%0.10841%0.411CS..EExtended strand (participates in β ladder)trans-80.9117165.6-55.1-60.1000108.3L662 L674 P677 L699 I700 L702I637-L662 HydrophobicContact CD1-CD1 4.3Å; I637-L662 HydrophobicContact CG1-CD1 3.73Å; I637-L674 HydrophobicContact CG2-CB 4.33Å; I637-L674 HydrophobicContact CG2-CD1 4Å; I637-P677 HydrophobicContact CD1-CG 3.9Å; I637-L699 PolarHBondContact O-N 3.39Å; I637-I700 HydrophobicContact CB-CB 4.21Å; I637-I700 HydrophobicContact CG1-CB 4.5Å; I637-I700 PolarHBondContact N-O 3.39Å; I637-I700 PolarHBondContact O-N 2.99Å; I637-L702 HydrophobicContact CD1-CD1 3.81Å; I637-L702 HydrophobicContact CG1-CD1 3.8Å; I637-L702 HydrophobicContact CG1-CG 4.13Å
638S92.6Very high73.6Confident49 Ų4963.6 Ų63.634%0.34339%0.391SS..EExtended strand (participates in β ladder)trans-111.6153.9-179.8-56.20000110.9P640 A697S638-P640 WeakPolarHBondContact O-CD 3.34Å; S638-A697 CarbonylContact C-O 3.59Å; S638-A697 WeakPolarHBondContact CA-O 3.38Å
639S91.3Very high76.2Confident4 Ų462.2 Ų62.23%0.02837%0.373CS..  trans-65.2122.6178.6-165.60000111.3L641 M665 G696 A697S639-L641 VanDerWaalsContact C-N 3.26Å; S639-L641 PolarHBondContact O-N 3.16Å; S639-L641 PolarHBondContact OG-O 3.47Å; S639-M665 WeakPolarHBondContact OG-CE 3.48Å; S639-M665 PolarHBondContact OG-SD 2.9Å; S639-G696 PolarHBondContact O-N 3.35Å; S639-A697 PolarHBondContact N-O 3.05Å
640P87.5Confident79Confident60 Ų6059 Ų5939%0.3934%0.337SS..SBendtrans-74-21.1178.830.2-34.7000112.6S638 L674 K695S638-P640 WeakPolarHBondContact O-CD 3.34Å; P640-L674 VanDerWaalsContact CD-CD2 3.43Å; P640-L674 HydrophobicContact CG-CD2 3.61Å; P640-K695 VanDerWaalsContact O-CE 3.31Å; P640-K695 WeakPolarHBondContact O-CE 3.45Å; P640-K695 WeakPolarHBondContact O-CG 3.34Å
641L86.3Confident81.5Confident20 Ų2054 Ų5411%0.10532%0.323CS..SBendtrans-147.9154.1-175.458.9102.2000110.4S639 A667 C672S639-L641 VanDerWaalsContact C-N 3.26Å; S639-L641 PolarHBondContact O-N 3.16Å; S639-L641 PolarHBondContact OG-O 3.47Å; L641-A667 HydrophobicContact CD1-CB 3.36Å; L641-C672 HydrophobicContact CD2-CB 3.94Å
642P87.6Confident84.1Confident27 Ų2754 Ų5418%0.17533%0.325CS..SBendtrans-70.8132.3174.531.2-34.1000110.3P378 A667 V693P378-P642 HydrophobicContact CG-CB 3.74Å; P378-P642 HydrophobicContact CG-CG 3.39Å; P642-A667 WeakPolarHBondContact O-CB 3.4Å; P642-V693 VanDerWaalsContact CA-O 3.31Å; P642-V693 WeakPolarHBondContact CA-O 3.24Å
643G91.1Very high86.8Confident0 Ų049.4 Ų49.40%031%0.309CS..EExtended strand (participates in β ladder)trans-172.1-170.5-173.100000113.5S692 V693G643-S692 CarbonylContact O-C 3.57Å; G643-S692 WeakPolarHBondContact O-CA 3.42Å; G643-V693 PolarHBondContact N-O 2.64Å; G643-V693 PolarHBondContact O-N 3.17Å
644I90.9Very high88.9Confident23 Ų2349.6 Ų49.612%0.11829%0.289CS..EExtended strand (participates in β ladder)trans-113.5133.8178.7-57.6153.9000108.1H410 E646 M665 V666 D691H410-I644 HydrophobicContact CB-CD1 4.35Å; H410-I644 WeakPolarHBondContact CE1-CD1 3.21Å; H410-I644 WeakPolarHBondContact ND1-CD1 3.3Å; I644-E646 PolarHBondContact O-N 3.09Å; I644-M665 CarbonylContact O-C 3.58Å; I644-M665 WeakPolarHBondContact O-CA 3.47Å; I644-V666 PolarHBondContact N-O 2.92Å; I644-V666 PolarHBondContact O-N 2.89Å; I644-D691 CarbonylContact C-O 3.58Å; I644-D691 WeakPolarHBondContact CA-O 3.32Å
645V92.1Very high90.7Very high0 Ų052.8 Ų52.80%030%0.304CS..EExtended strand (participates in β ladder)trans-71.3109.1172.4-179.70000108.4I648 M665 C687 R688 G690 D691 V693V645-I648 HydrophobicContact CG1-CD1 4.2Å; V645-I648 HydrophobicContact CG1-CG1 3.75Å; V645-M665 HydrophobicContact CG2-CG 4.45Å; V645-C687 HydrophobicContact CG2-CB 4.07Å; V645-R688 WeakPolarHBondContact CB-O 3.23Å; V645-G690 PolarHBondContact O-N 2.81Å; V645-D691 PolarHBondContact N-O 2.83Å; V645-V693 HydrophobicContact CG2-CG1 4.3Å; V645-V693 HydrophobicContact CG2-CG2 4.48Å
646E89.4Confident91.3Very high107 Ų10747.7 Ų47.750%0.528%0.281SS..EExtended strand (participates in β ladder)trans-87.1-41.5-178.9-178.3172.5-136.300111.4I644 V664 V666 V689I644-E646 PolarHBondContact O-N 3.09Å; E646-V664 PolarHBondContact N-O 3.33Å; E646-V666 HydrophobicContact CB-CG2 4.02Å; E646-V666 HydrophobicContact CG-CG2 4.38Å; E646-V666 WeakPolarHBondContact OE2-CG2 3.42Å; E646-V689 VanDerWaalsContact O-CG1 3.22Å; E646-V689 WeakPolarHBondContact O-CG1 3.4Å
647Q91.8Very high91.6Very high104 Ų10452.4 Ų52.449%0.48630%0.298SS..EExtended strand (participates in β ladder)trans-146.1141.3-178.7-170.4178.9-1.600110.6V649 L663 V664Q647-V649 HydrophobicContact CG-CG2 4.48Å; Q647-L663 CarbonylContact O-C 3.46Å; Q647-L663 WeakPolarHBondContact O-CA 3.35Å; Q647-L663 WeakPolarHBondContact O-CB 3.37Å; Q647-V664 HydrophobicContact CB-CB 4.18Å; Q647-V664 PolarHBondContact N-O 2.76Å; Q647-V664 VanDerWaalsContact N-O 3.12Å; Q647-V664 PolarHBondContact O-N 3.37Å
648I93.6Very high91.6Very high42 Ų4258.6 Ų58.622%0.21532%0.324CS..EExtended strand (participates in β ladder)trans-111.4120.2167.3-57.7174.3000106V645 V650 L663 I685 C687 V689V645-I648 HydrophobicContact CG1-CD1 4.2Å; V645-I648 HydrophobicContact CG1-CG1 3.75Å; I648-V650 WeakPolarHBondContact CG2-O 3.44Å; I648-L663 HydrophobicContact CG1-CB 4.45Å; I648-I685 HydrophobicContact CD1-CG2 4Å; I648-I685 HydrophobicContact CG2-CD1 3.99Å; I648-I685 HydrophobicContact CG2-CG2 4.29Å; I648-C687 VanDerWaalsContact CD1-O 3.29Å; I648-C687 WeakPolarHBondContact CD1-O 3.47Å; I648-V689 HydrophobicContact CD1-CG2 4.35Å; I648-V689 HydrophobicContact CG1-CG2 4.07Å
649V92.1Very high91.4Very high65 Ų6558 Ų5839%0.39433%0.325SS..  trans-99.3-8.4-169.8-142.90000112.3Q647 T661 L662 V664Q647-V649 HydrophobicContact CG-CG2 4.48Å; V649-T661 HydrophobicContact CG2-CG2 3.87Å; V649-L662 PolarHBondContact N-O 2.95Å; V649-V664 HydrophobicContact CG2-CG2 4.3Å
650V93.6Very high91.3Very high13 Ų1361.1 Ų61.18%0.07934%0.341CS..  trans-121.6157.2-177.9-61.40000112.2I648 Q654 V656 L662 V682 I685 I700I648-V650 WeakPolarHBondContact CG2-O 3.44Å; V650-Q654 VanDerWaalsContact CA-OE1 3.28Å; V650-V656 HydrophobicContact CG1-CG1 3.8Å; V650-L662 HydrophobicContact CG1-CD2 3.93Å; V650-L662 HydrophobicContact CG2-CB 4.29Å; V650-L662 HydrophobicContact CG2-CD2 4.27Å; V650-L662 PolarHBondContact N-O 3.2Å; V650-V682 HydrophobicContact CB-CG2 4.13Å; V650-V682 HydrophobicContact CG2-CG1 4.25Å; V650-V682 HydrophobicContact CG2-CG2 3.93Å; V650-I685 HydrophobicContact CG2-CD1 4.32Å; V650-I685 VanDerWaalsContact O-CD1 3.28Å; V650-I685 WeakPolarHBondContact O-CD1 3.22Å; V650-I700 HydrophobicContact CG2-CD1 4.03Å
651A93.6Very high91.6Very high55 Ų5560.5 Ų60.546%0.45534%0.337SS..  trans-109155.1171.700000111.6G653 Q654 V682A651-G653 PolarHBondContact O-N 2.77Å; A651-Q654 WeakPolarHBondContact O-CB 3.41Å; A651-Q654 PolarHBondContact O-N 3.15Å; A651-Q654 VanDerWaalsContact O-N 3.11Å; A651-V682 WeakPolarHBondContact O-CB 3.41Å
652S93.3Very high91.9Very high82 Ų8259.6 Ų59.657%0.57333%0.332SS*.THydrogen-bonded Turntrans-58.9136.6167.7171.70000110Q654 D683S652-Q654 VanDerWaalsContact C-N 3.34Å; S652-D683 PolarHBondContact OG-O 3.19Å
653G92Very high92.3Very high57 Ų5758.3 Ų58.359%0.58832%0.323SS*.THydrogen-bonded Turntrans83.7-5.2-171.800000115.4A651 V682A651-G653 PolarHBondContact O-N 2.77Å; G653-V682 PolarHBondContact N-O 2.93Å
654Q93.5Very high92.3Very high80 Ų8058.7 Ų58.737%0.37433%0.326SS..  trans-76.5132.9-178.9-175.6176.3-18.100111.6V650 A651 S652 V656 V682V650-Q654 VanDerWaalsContact CA-OE1 3.28Å; A651-Q654 WeakPolarHBondContact O-CB 3.41Å; A651-Q654 PolarHBondContact O-N 3.15Å; A651-Q654 VanDerWaalsContact O-N 3.11Å; S652-Q654 VanDerWaalsContact C-N 3.34Å; Q654-V656 HydrophobicContact CG-CG1 4.5Å; Q654-V682 PolarHBondContact O-N 2.77Å
655Q93.2Very high92.3Very high147 Ų14757.7 Ų57.769%0.68732%0.321SS*.EExtended strand (participates in β ladder)trans-73.2131.6166-80.1-178.1-4.200110.5A680 V681Q655-A680 WeakPolarHBondContact CA-O 3.2Å; Q655-V681 HydrophobicContact CG-CG2 3.84Å
656V93.1Very high92.1Very high4 Ų459.1 Ų59.12%0.02433%0.329CS..EExtended strand (participates in β ladder)trans-125.4141178.2-66.40000109V650 Q654 D660 L662 A676 D679 A680 V682 L702V650-V656 HydrophobicContact CG1-CG1 3.8Å; Q654-V656 HydrophobicContact CG-CG1 4.5Å; V656-D660 HydrophobicContact CB-CB 4.36Å; V656-L662 HydrophobicContact CB-CD2 4.09Å; V656-L662 HydrophobicContact CG1-CD2 3.77Å; V656-L662 HydrophobicContact CG2-CD2 4.02Å; V656-A676 HydrophobicContact CB-CB 4.36Å; V656-A676 HydrophobicContact CG2-CB 4.07Å; V656-D679 CarbonylContact O-C 3.42Å; V656-D679 WeakPolarHBondContact O-CA 3.25Å; V656-A680 HydrophobicContact CG2-CB 4.16Å; V656-A680 WeakPolarHBondContact CG2-O 3.49Å; V656-A680 PolarHBondContact N-O 2.93Å; V656-A680 PolarHBondContact O-N 2.84Å; V656-V682 HydrophobicContact CG1-CG2 3.8Å; V656-V682 HydrophobicContact CG2-CG2 4.18Å; V656-L702 HydrophobicContact CG2-CD2 4.3Å
657K92.7Very high91.9Very high141 Ų14154 Ų5461%0.61331%0.305SS*.  trans-93.5156.5172.6-64.7-172.2179.3-174.30110.5G659 D660 A676 D679K657-G659 PolarHBondContact O-N 2.99Å; K657-D660 PolarHBondContact N-OD2 2.98Å; K657-D660 WeakPolarHBondContact O-CB 3.39Å; K657-D660 VanDerWaalsContact O-CG 3.31Å; K657-D660 PolarHBondContact O-N 2.93Å; K657-A676 WeakPolarHBondContact O-CB 3.36Å; K657-D679 VanDerWaalsContact CA-OD1 3.32Å; K657-D679 WeakPolarHBondContact CA-OD1 3.32Å
658K91.6Very high91.6Very high151 Ų15149.2 Ų49.266%0.65728%0.283SS*.THydrogen-bonded Turntrans-49.3123.8170-177.5171-178.3177.60110.7P677 D679K658-P677 WeakPolarHBondContact CD-O 3.43Å; K658-P677 VanDerWaalsContact CE-O 3.3Å; K658-P677 WeakPolarHBondContact CE-O 3.36Å; K658-P677 WeakPolarHBondContact CG-O 3.36Å; K658-D679 PolarHBondContact N-OD1 3.49Å
659G88.6Confident90.8Very high35 Ų3553.9 Ų53.936%0.36130%0.302SS..THydrogen-bonded Turntrans93.4-10.1-179.600000114.8K657 K675 A676K657-G659 PolarHBondContact O-N 2.99Å; G659-K675 WeakPolarHBondContact O-CD 3.27Å; G659-A676 PolarHBondContact N-O 3.03Å
660D90.5Very high90.1Very high70 Ų7053.6 Ų53.637%0.37430%0.297SS..  trans-64.5135.6174.3-71.9-9.6000110.1V656 K657 L662 K675 A676V656-D660 HydrophobicContact CB-CB 4.36Å; K657-D660 PolarHBondContact N-OD2 2.98Å; K657-D660 WeakPolarHBondContact O-CB 3.39Å; K657-D660 VanDerWaalsContact O-CG 3.31Å; K657-D660 PolarHBondContact O-N 2.93Å; D660-L662 PolarHBondContact O-N 3.46Å; D660-K675 CarbonylContact O-C 3.37Å; D660-K675 VanDerWaalsContact O-CA 3.24Å; D660-K675 WeakPolarHBondContact O-CA 3.32Å; D660-A676 PolarHBondContact O-N 3.21Å
661T92.8Very high89.6Confident48 Ų4858.6 Ų58.629%0.29432%0.32SS..EExtended strand (participates in β ladder)trans-72.6124.2176.8-58.30000109.7V649 V664V649-T661 HydrophobicContact CG2-CG2 3.87Å; T661-V664 HydrophobicContact CG2-CG2 4.04Å
662L93.9Very high89.2Confident0 Ų057.4 Ų57.40%031%0.307CS..EExtended strand (participates in β ladder)trans-90.6-49.9179.4-57.8178.5000111.3I637 V649 V650 V656 D660 L674 A676 V682 I700 L702I637-L662 HydrophobicContact CD1-CD1 4.3Å; I637-L662 HydrophobicContact CG1-CD1 3.73Å; V649-L662 PolarHBondContact N-O 2.95Å; V650-L662 HydrophobicContact CG1-CD2 3.93Å; V650-L662 HydrophobicContact CG2-CB 4.29Å; V650-L662 HydrophobicContact CG2-CD2 4.27Å; V650-L662 PolarHBondContact N-O 3.2Å; V656-L662 HydrophobicContact CB-CD2 4.09Å; V656-L662 HydrophobicContact CG1-CD2 3.77Å; V656-L662 HydrophobicContact CG2-CD2 4.02Å; D660-L662 PolarHBondContact O-N 3.46Å; L662-L674 PolarHBondContact N-O 3.41Å; L662-A676 HydrophobicContact CD1-CB 4.32Å; L662-A676 HydrophobicContact CD2-CB 4.08Å; L662-A676 HydrophobicContact CG-CB 4.27Å; L662-V682 HydrophobicContact CD2-CG2 4.46Å; L662-I700 HydrophobicContact CB-CD1 3.81Å; L662-L702 HydrophobicContact CD1-CD1 4.4Å; L662-L702 HydrophobicContact CD1-CD2 4.41Å
663L94.4Very high89Confident0 Ų055.9 Ų55.90%030%0.297CS..EExtended strand (participates in β ladder)trans-151.2159.4178.471.686.3000110.2Q647 I648 M665 L674 L699 I700Q647-L663 CarbonylContact O-C 3.46Å; Q647-L663 WeakPolarHBondContact O-CA 3.35Å; Q647-L663 WeakPolarHBondContact O-CB 3.37Å; I648-L663 HydrophobicContact CG1-CB 4.45Å; L663-M665 HydrophobicContact CD1-CG 3.35Å; L663-M665 HydrophobicContact CD1-SD 4.02Å; L663-L674 HydrophobicContact CD1-CB 4.37Å; L663-L674 HydrophobicContact CD1-CD1 3.66Å; L663-L674 HydrophobicContact CD1-CG 3.94Å; L663-L674 HydrophobicContact CD2-CD1 4.22Å; L663-L674 HydrophobicContact CG-CB 4.2Å; L663-L674 HydrophobicContact CG-CD1 3.96Å; L663-L674 HydrophobicContact CG-CG 4.28Å; L663-L674 PolarHBondContact O-N 2.94Å; L663-L699 HydrophobicContact CD1-CD1 4.21Å; L663-L699 HydrophobicContact CD2-CB 3.84Å; L663-L699 HydrophobicContact CD2-CD1 3.83Å; L663-L699 HydrophobicContact CD2-CG 4.45Å; L663-I700 HydrophobicContact CD2-CD1 3.75Å; L663-I700 HydrophobicContact CD2-CG1 4.04Å
664V91Very high89Confident9 Ų953.9 Ų53.96%0.05527%0.272CS..EExtended strand (participates in β ladder)trans-118.2129.1177.2-177.10000108.4E646 Q647 V649 T661 E671E646-V664 PolarHBondContact N-O 3.33Å; Q647-V664 HydrophobicContact CB-CB 4.18Å; Q647-V664 PolarHBondContact N-O 2.76Å; Q647-V664 VanDerWaalsContact N-O 3.12Å; Q647-V664 PolarHBondContact O-N 3.37Å; V649-V664 HydrophobicContact CG2-CG2 4.3Å; T661-V664 HydrophobicContact CG2-CG2 4.04Å; V664-E671 HydrophobicContact CG1-CG 3.26Å; V664-E671 WeakPolarHBondContact CG1-OE1 3.42Å
665M92.4Very high88.9Confident1 Ų156 Ų561%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-114151.3173.5-62.7-177.853.600110.8S639 I644 V645 L663 E671 C672 L674 V693 L699S639-M665 WeakPolarHBondContact OG-CE 3.48Å; S639-M665 PolarHBondContact OG-SD 2.9Å; I644-M665 CarbonylContact O-C 3.58Å; I644-M665 WeakPolarHBondContact O-CA 3.47Å; V645-M665 HydrophobicContact CG2-CG 4.45Å; L663-M665 HydrophobicContact CD1-CG 3.35Å; L663-M665 HydrophobicContact CD1-SD 4.02Å; M665-E671 CarbonylContact O-C 3.57Å; M665-E671 WeakPolarHBondContact O-CA 3.34Å; M665-C672 PolarHBondContact N-O 3.41Å; M665-C672 PolarHBondContact O-N 3.3Å; M665-L674 HydrophobicContact SD-CD1 4.17Å; M665-V693 HydrophobicContact CE-CG2 3.2Å; M665-V693 HydrophobicContact SD-CG2 4.15Å; M665-L699 HydrophobicContact SD-CD1 3.68Å
666V86.8Confident88.8Confident30 Ų3049.1 Ų49.118%0.18225%0.249CC..EExtended strand (participates in β ladder)trans-120.9133.1169.5175.60000109.7I644 E646 M670 E671I644-V666 PolarHBondContact N-O 2.92Å; I644-V666 PolarHBondContact O-N 2.89Å; E646-V666 HydrophobicContact CB-CG2 4.02Å; E646-V666 HydrophobicContact CG-CG2 4.38Å; E646-V666 WeakPolarHBondContact OE2-CG2 3.42Å; V666-M670 CarbonylContact C-O 3.53Å; V666-M670 VanDerWaalsContact CA-O 3.31Å; V666-M670 WeakPolarHBondContact CA-O 3.44Å; V666-E671 HydrophobicContact CG2-CB 4.48Å; V666-E671 HydrophobicContact CG2-CG 4.45Å
667A86.4Confident88.7Confident0 Ų051.8 Ų51.80%027%0.266CS..EExtended strand (participates in β ladder)trans-132.5123167.900000108.4P376 L641 P642 K669 M670P376-A667 HydrophobicContact CB-CB 4.03Å; P376-A667 HydrophobicContact CG-CB 4.18Å; L641-A667 HydrophobicContact CD1-CB 3.36Å; P642-A667 WeakPolarHBondContact O-CB 3.4Å; A667-K669 VanDerWaalsContact C-N 3.32Å; A667-K669 PolarHBondContact O-N 2.88Å; A667-M670 PolarHBondContact N-O 3.32Å; A667-M670 WeakPolarHBondContact O-CB 3.33Å; A667-M670 PolarHBondContact O-N 2.97Å
668M84.2Confident88.6Confident4 Ų447.3 Ų47.32%0.0225%0.247CC..THydrogen-bonded Turntrans5246.7173.5-57.1174.6148.800114.1A367 P376 P378 I407 S408 S409 Y411 P413 M670A367-M668 HydrophobicContact CB-CE 4.11Å; P376-M668 HydrophobicContact CB-CB 4.04Å; P376-M668 HydrophobicContact CB-CG 4.06Å; P376-M668 HydrophobicContact CB-SD 3.61Å; P376-M668 HydrophobicContact CG-CB 4.37Å; P378-M668 HydrophobicContact CB-CE 3.76Å; P378-M668 HydrophobicContact CG-CE 4.45Å; I407-M668 HydrophobicContact CB-CE 4.27Å; I407-M668 HydrophobicContact CG2-CE 3.25Å; S408-M668 WeakPolarHBondContact O-CE 3.4Å; S409-M668 PolarHBondContact O-N 2.85Å; Y411-M668 WeakPolarHBondContact O-CA 3.26Å; Y411-M668 VanDerWaalsContact O-CB 3.26Å; Y411-M668 WeakPolarHBondContact O-CB 3.49Å; Y411-M668 WeakPolarHBondContact O-CG 3.19Å; P413-M668 HydrophobicContact CB-CB 4.18Å; P413-M668 HydrophobicContact CB-CE 4.45Å; P413-M668 HydrophobicContact CB-CG 4.42Å; P413-M668 HydrophobicContact CB-SD 3.63Å; P413-M668 HydrophobicContact CG-CB 4.22Å; M668-M670 PolarHBondContact O-N 3.49Å
669K78.3Confident88.6Confident140 Ų14044.2 Ų44.261%0.60924%0.237SC*.THydrogen-bonded Turntrans67.15.7-175.4-50174-178.5165.40115.8D412 A667D412-K669 IonicContact OD2-NZ 2.63Å; D412-K669 PolarHBondContact OD2-NZ 3.46Å; A667-K669 VanDerWaalsContact C-N 3.32Å; A667-K669 PolarHBondContact O-N 2.88Å
670M76.8Confident88.8Confident59 Ų5942.6 Ų42.629%0.29122%0.221SC..EExtended strand (participates in β ladder)trans-99.2126.7171-71.5-178.230.700110.6P376 V666 A667 M668P376-M670 HydrophobicContact CG-CB 4.21Å; P376-M670 HydrophobicContact CG-CE 3.91Å; P376-M670 HydrophobicContact CG-CG 4.39Å; P376-M670 HydrophobicContact CG-SD 3.83Å; V666-M670 CarbonylContact C-O 3.53Å; V666-M670 VanDerWaalsContact CA-O 3.31Å; V666-M670 WeakPolarHBondContact CA-O 3.44Å; A667-M670 PolarHBondContact N-O 3.32Å; A667-M670 WeakPolarHBondContact O-CB 3.33Å; A667-M670 PolarHBondContact O-N 2.97Å; M668-M670 PolarHBondContact O-N 3.49Å
671E83.5Confident88.9Confident118 Ų11841.1 Ų41.155%0.55121%0.214SC*.EExtended strand (participates in β ladder)trans-84.4137.2173.3-166.9-169.513300110.3V664 M665 V666V664-E671 HydrophobicContact CG1-CG 3.26Å; V664-E671 WeakPolarHBondContact CG1-OE1 3.42Å; M665-E671 CarbonylContact O-C 3.57Å; M665-E671 WeakPolarHBondContact O-CA 3.34Å; V666-E671 HydrophobicContact CG2-CB 4.48Å; V666-E671 HydrophobicContact CG2-CG 4.45Å
672C84.9Confident88.9Confident29 Ų2938.8 Ų38.820%0.19620%0.2CC..EExtended strand (participates in β ladder)trans-129.2106.3174-174.30000109L641 M665L641-C672 HydrophobicContact CD2-CB 3.94Å; M665-C672 PolarHBondContact N-O 3.41Å; M665-C672 PolarHBondContact O-N 3.3Å
673S88.9Confident88.8Confident50 Ų5042 Ų4235%0.3522%0.217SC..EExtended strand (participates in β ladder)trans-81.3120.5172-76.70000110.4
674L91.5Very high88.7Confident15 Ų1546.4 Ų46.48%0.07923%0.234CC..EExtended strand (participates in β ladder)trans-88.9127.9171.8-55.5-173.1000109.9I637 P640 L662 L663 M665 L699I637-L674 HydrophobicContact CG2-CB 4.33Å; I637-L674 HydrophobicContact CG2-CD1 4Å; P640-L674 VanDerWaalsContact CD-CD2 3.43Å; P640-L674 HydrophobicContact CG-CD2 3.61Å; L662-L674 PolarHBondContact N-O 3.41Å; L663-L674 HydrophobicContact CD1-CB 4.37Å; L663-L674 HydrophobicContact CD1-CD1 3.66Å; L663-L674 HydrophobicContact CD1-CG 3.94Å; L663-L674 HydrophobicContact CD2-CD1 4.22Å; L663-L674 HydrophobicContact CG-CB 4.2Å; L663-L674 HydrophobicContact CG-CD1 3.96Å; L663-L674 HydrophobicContact CG-CG 4.28Å; L663-L674 PolarHBondContact O-N 2.94Å; M665-L674 HydrophobicContact SD-CD1 4.17Å; L674-L699 HydrophobicContact CD1-CD1 3.58Å
675K92Very high88.9Confident124 Ų12448.3 Ų48.354%0.53924%0.243SC..EExtended strand (participates in β ladder)trans-114152.2-174.8-64-178.9174.7-170.10111.7G659 D660 P677G659-K675 WeakPolarHBondContact O-CD 3.27Å; D660-K675 CarbonylContact O-C 3.37Å; D660-K675 VanDerWaalsContact O-CA 3.24Å; D660-K675 WeakPolarHBondContact O-CA 3.32Å; K675-P677 WeakPolarHBondContact O-CD 3.34Å
676A91.2Very high89Confident3 Ų352.5 Ų52.53%0.02527%0.265CS..  trans-64124.8173.100000110.5V656 K657 G659 D660 L662 F678V656-A676 HydrophobicContact CB-CB 4.36Å; V656-A676 HydrophobicContact CG2-CB 4.07Å; K657-A676 WeakPolarHBondContact O-CB 3.36Å; G659-A676 PolarHBondContact N-O 3.03Å; D660-A676 PolarHBondContact O-N 3.21Å; L662-A676 HydrophobicContact CD1-CB 4.32Å; L662-A676 HydrophobicContact CD2-CB 4.08Å; L662-A676 HydrophobicContact CG-CB 4.27Å; A676-F678 VanDerWaalsContact C-N 3.34Å
677P90.5Very high89.3Confident61 Ų6151.5 Ų51.540%0.39626%0.259SS..SBendtrans-76.1-21.2179.925.7-30.2000113.7I637 K658 K675 L702I637-P677 HydrophobicContact CD1-CG 3.9Å; K658-P677 WeakPolarHBondContact CD-O 3.43Å; K658-P677 VanDerWaalsContact CE-O 3.3Å; K658-P677 WeakPolarHBondContact CE-O 3.36Å; K658-P677 WeakPolarHBondContact CG-O 3.36Å; K675-P677 WeakPolarHBondContact O-CD 3.34Å; P677-L702 HydrophobicContact CG-CD1 4.48Å
678F90.3Very high89.6Confident47 Ų4760.7 Ų60.721%0.20629%0.294CS..SBendtrans-152.6172.4178.552-89.9000109.7Q635 A676 A680 L702Q635-F678 HydrophobicContact CB-CE1 4.19Å; Q635-F678 HydrophobicContact CB-CZ 3.67Å; Q635-F678 HydrophobicContact CG-CE1 4.11Å; Q635-F678 HydrophobicContact CG-CZ 3.68Å; Q635-F678 VanDerWaalsContact OE1-CE1 3.28Å; A676-F678 VanDerWaalsContact C-N 3.34Å; F678-A680 HydrophobicContact CD2-CB 4.01Å; F678-A680 HydrophobicContact CE2-CB 3.78Å; F678-L702 HydrophobicContact CZ-CB 4.42Å; F678-L702 HydrophobicContact CZ-CD1 4.39Å
679D91.3Very high90Very high85 Ų8564.9 Ų64.946%0.45532%0.32SS..SBendtrans-70.9125.6175.3-65.72.9000109.2V656 K657 K658V656-D679 CarbonylContact O-C 3.42Å; V656-D679 WeakPolarHBondContact O-CA 3.25Å; K657-D679 VanDerWaalsContact CA-OD1 3.32Å; K657-D679 WeakPolarHBondContact CA-OD1 3.32Å; K658-D679 PolarHBondContact N-OD1 3.49Å
680A92.5Very high90.4Very high2 Ų260.6 Ų60.62%0.01732%0.315CS..EExtended strand (participates in β ladder)trans-153.8169.4-170.500000112.1Q655 V656 F678 L702 A703Q655-A680 WeakPolarHBondContact CA-O 3.2Å; V656-A680 HydrophobicContact CG2-CB 4.16Å; V656-A680 WeakPolarHBondContact CG2-O 3.49Å; V656-A680 PolarHBondContact N-O 2.93Å; V656-A680 PolarHBondContact O-N 2.84Å; F678-A680 HydrophobicContact CD2-CB 4.01Å; F678-A680 HydrophobicContact CE2-CB 3.78Å; A680-L702 HydrophobicContact CB-CB 3.97Å; A680-L702 HydrophobicContact CB-CD1 4.26Å; A680-L702 HydrophobicContact CB-CD2 4.21Å; A680-L702 HydrophobicContact CB-CG 4.37Å; A680-A703 WeakPolarHBondContact CA-O 3.39Å; A680-A703 WeakPolarHBondContact CB-O 3.03Å
681V93Very high91.1Very high38 Ų3860.9 Ų60.923%0.2332%0.318CS..EExtended strand (participates in β ladder)trans-103.5132.2164.1-178.90000108.5Q655 D683 A703Q655-V681 HydrophobicContact CG-CG2 3.84Å; V681-D683 PolarHBondContact O-N 3.05Å; V681-D683 VanDerWaalsContact O-N 3.13Å; V681-A703 PolarHBondContact N-O 3.27Å; V681-A703 PolarHBondContact O-N 2.94Å
682V93.9Very high91.4Very high0 Ų059.2 Ų59.20%032%0.319CS..EExtended strand (participates in β ladder)trans-69.7106.6173.8178.60000108.7V650 A651 G653 Q654 V656 L662 I685 I700 L702V650-V682 HydrophobicContact CB-CG2 4.13Å; V650-V682 HydrophobicContact CG2-CG1 4.25Å; V650-V682 HydrophobicContact CG2-CG2 3.93Å; A651-V682 WeakPolarHBondContact O-CB 3.41Å; G653-V682 PolarHBondContact N-O 2.93Å; Q654-V682 PolarHBondContact O-N 2.77Å; V656-V682 HydrophobicContact CG1-CG2 3.8Å; V656-V682 HydrophobicContact CG2-CG2 4.18Å; L662-V682 HydrophobicContact CD2-CG2 4.46Å; V682-I685 HydrophobicContact CG1-CD1 4.24Å; V682-I685 HydrophobicContact CG1-CG1 3.9Å; V682-I700 HydrophobicContact CG1-CG2 3.92Å; V682-L702 HydrophobicContact CG2-CD2 4.09Å
683D92.1Very high91.7Very high66 Ų6658.6 Ų58.635%0.35331%0.314SS..EExtended strand (participates in β ladder)trans-72.9-64.4-179.9173.341.7000110.4S652 V681 Y701 A703S652-D683 PolarHBondContact OG-O 3.19Å; V681-D683 PolarHBondContact O-N 3.05Å; V681-D683 VanDerWaalsContact O-N 3.13Å; D683-Y701 PolarHBondContact N-O 3.4Å; D683-A703 HydrophobicContact CB-CB 4.37Å
684R92.3Very high91.7Very high94 Ų9460.3 Ų60.336%0.35532%0.324SS..EExtended strand (participates in β ladder)trans-143.4145.8-177.856.4-177.2174.3-143.4-5.8112.3E634 L686 I700 Y701E634-R684 IonicContact OE1-CZ 2.79Å; E634-R684 IonicContact OE1-NH1 3.63Å; E634-R684 IonicContact OE1-NH2 2.98Å; E634-R684 PolarHBondContact OE1-NH2 2.87Å; E634-R684 VanDerWaalsContact OE1-NH2 3.11Å; E634-R684 IonicContact OE2-CZ 3.32Å; E634-R684 IonicContact OE2-NH2 3.7Å; E634-R684 PolarHBondContact OE2-NH2 3.1Å; R684-L686 HydrophobicContact CG-CD2 4.41Å; R684-I700 WeakPolarHBondContact O-CA 3.37Å; R684-Y701 HydrophobicContact CG-CD2 3.61Å; R684-Y701 HydrophobicContact CG-CG 3.92Å; R684-Y701 VanDerWaalsContact NE-CE2 3.31Å; R684-Y701 PolarHBondContact O-N 3.47Å
685I94.2Very high91.4Very high49 Ų4964.8 Ų64.825%0.25134%0.343SS..EExtended strand (participates in β ladder)trans-109.4122.5176.8-58.3167.8000107.3I648 V650 V682 I700I648-I685 HydrophobicContact CD1-CG2 4Å; I648-I685 HydrophobicContact CG2-CD1 3.99Å; I648-I685 HydrophobicContact CG2-CG2 4.29Å; V650-I685 HydrophobicContact CG2-CD1 4.32Å; V650-I685 VanDerWaalsContact O-CD1 3.28Å; V650-I685 WeakPolarHBondContact O-CD1 3.22Å; V682-I685 HydrophobicContact CG1-CD1 4.24Å; V682-I685 HydrophobicContact CG1-CG1 3.9Å; I685-I700 HydrophobicContact CG1-CD1 4.43Å; I685-I700 HydrophobicContact CG1-CG1 4.21Å; I685-I700 HydrophobicContact CG2-CG1 4.3Å
686L93.9Very high91.3Very high88 Ų8861.2 Ų61.246%0.46134%0.341SS..  trans-99-2.7-173.8-59.1-177.6000114R684 K698 L699 Y701R684-L686 HydrophobicContact CG-CD2 4.41Å; L686-K698 HydrophobicContact CD1-CB 3.97Å; L686-L699 PolarHBondContact N-O 2.84Å; L686-Y701 HydrophobicContact CD1-CD2 3.8Å; L686-Y701 HydrophobicContact CD1-CE2 3.41Å; L686-Y701 VanDerWaalsContact CD1-CE2 3.41Å; L686-Y701 HydrophobicContact CD2-CD2 4.41Å; L686-Y701 HydrophobicContact CD2-CE2 4.41Å; L686-Y701 HydrophobicContact CG-CD2 4.1Å; L686-Y701 HydrophobicContact CG-CE2 4.16Å
687C93.5Very high91.3Very high10 Ų1062.2 Ų62.27%0.06835%0.35CS..  trans-121.8162.7-179.361.40000111.6V645 I648 L699V645-C687 HydrophobicContact CG2-CB 4.07Å; I648-C687 VanDerWaalsContact CD1-O 3.29Å; I648-C687 WeakPolarHBondContact CD1-O 3.47Å; C687-L699 HydrophobicContact CB-CD2 4.1Å
688R93.8Very high91.4Very high193 Ų19363.6 Ų63.673%0.72835%0.35SS*.  trans-121.1155173.5-60.6177.8-179.9176.80.2109.7V645 G690 D691V645-R688 WeakPolarHBondContact CB-O 3.23Å; R688-G690 PolarHBondContact O-N 2.9Å; R688-D691 PolarHBondContact N-OD2 2.8Å; R688-D691 VanDerWaalsContact O-CB 3.31Å; R688-D691 WeakPolarHBondContact O-CB 3.26Å; R688-D691 PolarHBondContact O-N 2.82Å
689V91.7Very high91.6Very high92 Ų9261.4 Ų61.456%0.55834%0.34SS*.THydrogen-bonded Turntrans-58.1128.7170.3173.20000109.3E646 I648E646-V689 VanDerWaalsContact O-CG1 3.22Å; E646-V689 WeakPolarHBondContact O-CG1 3.4Å; I648-V689 HydrophobicContact CD1-CG2 4.35Å; I648-V689 HydrophobicContact CG1-CG2 4.07Å
690G87.2Confident91.8Very high50 Ų5057.4 Ų57.452%0.51532%0.318SS..THydrogen-bonded Turntrans96.2-11-175.400000114.8V645 R688 S692V645-G690 PolarHBondContact O-N 2.81Å; R688-G690 PolarHBondContact O-N 2.9Å; G690-S692 PolarHBondContact O-N 2.94Å
691D90.2Very high91.8Very high64 Ų6458.5 Ų58.534%0.34232%0.322SS..  trans-67.2131.9179.4-73.4-10.3000111.1I644 V645 R688 V693I644-D691 CarbonylContact C-O 3.58Å; I644-D691 WeakPolarHBondContact CA-O 3.32Å; V645-D691 PolarHBondContact N-O 2.83Å; R688-D691 PolarHBondContact N-OD2 2.8Å; R688-D691 VanDerWaalsContact O-CB 3.31Å; R688-D691 WeakPolarHBondContact O-CB 3.26Å; R688-D691 PolarHBondContact O-N 2.82Å; D691-V693 HydrophobicContact CB-CG1 4.28Å
692S89.7Confident91.8Very high83 Ų8356.9 Ų56.958%0.5831%0.312SS*.EExtended strand (participates in β ladder)trans-87.1120.6168.6178.80000109.3G643 G690G643-S692 CarbonylContact O-C 3.57Å; G643-S692 WeakPolarHBondContact O-CA 3.42Å; G690-S692 PolarHBondContact O-N 2.94Å
693V91.6Very high91.5Very high16 Ų1658.8 Ų58.810%0.09733%0.328CS..EExtended strand (participates in β ladder)trans-122.3139.3-174.3-58.90000111.5P642 G643 V645 M665 D691 A697 L699P642-V693 VanDerWaalsContact CA-O 3.31Å; P642-V693 WeakPolarHBondContact CA-O 3.24Å; G643-V693 PolarHBondContact N-O 2.64Å; G643-V693 PolarHBondContact O-N 3.17Å; V645-V693 HydrophobicContact CG2-CG1 4.3Å; V645-V693 HydrophobicContact CG2-CG2 4.48Å; M665-V693 HydrophobicContact CE-CG2 3.2Å; M665-V693 HydrophobicContact SD-CG2 4.15Å; D691-V693 HydrophobicContact CB-CG1 4.28Å; V693-A697 HydrophobicContact CB-CB 4.02Å; V693-L699 HydrophobicContact CB-CD2 4.27Å; V693-L699 HydrophobicContact CG1-CD2 3.97Å; V693-L699 HydrophobicContact CG2-CD2 4.17Å
694P89.6Confident90.9Very high86 Ų8660.3 Ų60.356%0.55834%0.336SS*.  trans-76.8166.9174.431.4-35000112.2G696 A697P694-G696 PolarHBondContact O-N 2.93Å; P694-A697 HydrophobicContact CG-CB 4.12Å; P694-A697 VanDerWaalsContact O-CB 3.31Å; P694-A697 WeakPolarHBondContact O-CB 3.4Å; P694-A697 PolarHBondContact O-N 3.16Å
695K85.6Confident89.6Confident110 Ų11058.2 Ų58.248%0.47834%0.336SS..THydrogen-bonded Turntrans-56.7135.2169.1-172.4167-178.7174.10109.9E372 P640 A697E372-K695 IonicContact OE1-NZ 3.74Å; E372-K695 PolarHBondContact OE1-NZ 3Å; E372-K695 IonicContact OE2-NZ 3.65Å; E372-K695 PolarHBondContact OE2-NZ 2.66Å; P640-K695 VanDerWaalsContact O-CE 3.31Å; P640-K695 WeakPolarHBondContact O-CE 3.45Å; P640-K695 WeakPolarHBondContact O-CG 3.34Å; K695-A697 VanDerWaalsContact C-N 3.29Å; K695-A697 PolarHBondContact O-N 3.3Å
696G88.4Confident87.6Confident48 Ų4863 Ų6350%0.49536%0.362SS..THydrogen-bonded Turntrans80.3-1.1-179.600000115.4S639 P694 K698S639-G696 PolarHBondContact O-N 3.35Å; P694-G696 PolarHBondContact O-N 2.93Å; G696-K698 PolarHBondContact O-N 3.22Å
697A91.6Very high85.3Confident24 Ų2464.9 Ų64.920%0.19838%0.377CS..  trans-59.9130.1174.100000110.6S638 S639 V693 P694 K695 L699S638-A697 CarbonylContact C-O 3.59Å; S638-A697 WeakPolarHBondContact CA-O 3.38Å; S639-A697 PolarHBondContact N-O 3.05Å; V693-A697 HydrophobicContact CB-CB 4.02Å; P694-A697 HydrophobicContact CG-CB 4.12Å; P694-A697 VanDerWaalsContact O-CB 3.31Å; P694-A697 WeakPolarHBondContact O-CB 3.4Å; P694-A697 PolarHBondContact O-N 3.16Å; K695-A697 VanDerWaalsContact C-N 3.29Å; K695-A697 PolarHBondContact O-N 3.3Å; A697-L699 HydrophobicContact CB-CD2 4.37Å; A697-L699 WeakPolarHBondContact O-CG 3.34Å; A697-L699 PolarHBondContact O-N 2.88Å
698K93.4Very high82.4Confident91 Ų9168.4 Ų68.440%0.39641%0.407SS..EExtended strand (participates in β ladder)trans-70.7123.7175.4-66.5-175.2174.5-172.40109.5T636 L686 G696T636-K698 HydrophobicContact CG2-CB 3.58Å; T636-K698 HydrophobicContact CG2-CD 3.92Å; T636-K698 HydrophobicContact CG2-CG 3.59Å; L686-K698 HydrophobicContact CD1-CB 3.97Å; G696-K698 PolarHBondContact O-N 3.22Å
699L94.3Very high79.4Confident1 Ų167.3 Ų67.31%0.00542%0.416CS..EExtended strand (participates in β ladder)trans-113-47.2-172.9-57.2179000112.8I637 L663 M665 L674 L686 C687 V693 A697I637-L699 PolarHBondContact O-N 3.39Å; L663-L699 HydrophobicContact CD1-CD1 4.21Å; L663-L699 HydrophobicContact CD2-CB 3.84Å; L663-L699 HydrophobicContact CD2-CD1 3.83Å; L663-L699 HydrophobicContact CD2-CG 4.45Å; M665-L699 HydrophobicContact SD-CD1 3.68Å; L674-L699 HydrophobicContact CD1-CD1 3.58Å; L686-L699 PolarHBondContact N-O 2.84Å; C687-L699 HydrophobicContact CB-CD2 4.1Å; V693-L699 HydrophobicContact CB-CD2 4.27Å; V693-L699 HydrophobicContact CG1-CD2 3.97Å; V693-L699 HydrophobicContact CG2-CD2 4.17Å; A697-L699 HydrophobicContact CB-CD2 4.37Å; A697-L699 WeakPolarHBondContact O-CG 3.34Å; A697-L699 PolarHBondContact O-N 2.88Å
700I94.6Very high76.6Confident0 Ų072.1 Ų72.10%045%0.453CS..EExtended strand (participates in β ladder)trans-136.6135.6-178.1-64.1179.5000109.1T636 I637 V650 L662 L663 V682 R684 I685 L702T636-I700 CarbonylContact C-O 3.55Å; T636-I700 WeakPolarHBondContact CA-O 3.31Å; I637-I700 HydrophobicContact CB-CB 4.21Å; I637-I700 HydrophobicContact CG1-CB 4.5Å; I637-I700 PolarHBondContact N-O 3.39Å; I637-I700 PolarHBondContact O-N 2.99Å; V650-I700 HydrophobicContact CG2-CD1 4.03Å; L662-I700 HydrophobicContact CB-CD1 3.81Å; L663-I700 HydrophobicContact CD2-CD1 3.75Å; L663-I700 HydrophobicContact CD2-CG1 4.04Å; V682-I700 HydrophobicContact CG1-CG2 3.92Å; R684-I700 WeakPolarHBondContact O-CA 3.37Å; I685-I700 HydrophobicContact CG1-CD1 4.43Å; I685-I700 HydrophobicContact CG1-CG1 4.21Å; I685-I700 HydrophobicContact CG2-CG1 4.3Å; I700-L702 HydrophobicContact CG2-CD2 4.01Å; I700-L702 HydrophobicContact CG2-CG 4.49Å
701Y94Very high76.1Confident25 Ų2573.2 Ų73.210%0.09845%0.45CS..EExtended strand (participates in β ladder)trans-95.8135.2166.7-78.9-88.4000110.1E634 T636 D683 R684 L686E634-Y701 HydrophobicContact CB-CD1 3.88Å; E634-Y701 HydrophobicContact CB-CE1 4.05Å; E634-Y701 WeakPolarHBondContact OE2-CD1 3.46Å; E634-Y701 WeakPolarHBondContact OE2-CE1 3.38Å; T636-Y701 HydrophobicContact CG2-CD1 4.44Å; T636-Y701 HydrophobicContact CG2-CE1 4.33Å; T636-Y701 WeakPolarHBondContact OG1-CD1 3.42Å; T636-Y701 WeakPolarHBondContact OG1-CE1 3.5Å; D683-Y701 PolarHBondContact N-O 3.4Å; R684-Y701 HydrophobicContact CG-CD2 3.61Å; R684-Y701 HydrophobicContact CG-CG 3.92Å; R684-Y701 VanDerWaalsContact NE-CE2 3.31Å; R684-Y701 PolarHBondContact O-N 3.47Å; L686-Y701 HydrophobicContact CD1-CD2 3.8Å; L686-Y701 HydrophobicContact CD1-CE2 3.41Å; L686-Y701 VanDerWaalsContact CD1-CE2 3.41Å; L686-Y701 HydrophobicContact CD2-CD2 4.41Å; L686-Y701 HydrophobicContact CD2-CE2 4.41Å; L686-Y701 HydrophobicContact CG-CD2 4.1Å; L686-Y701 HydrophobicContact CG-CE2 4.16Å
702L91.8Very high75.3Confident4 Ų473.7 Ų73.72%0.02146%0.455CS..EExtended strand (participates in β ladder)trans-112.5135175.8-63.1179.2000109.1Q635 I637 V656 L662 P677 F678 A680 V682 I700Q635-L702 PolarHBondContact N-O 3.2Å; Q635-L702 PolarHBondContact O-N 2.96Å; I637-L702 HydrophobicContact CD1-CD1 3.81Å; I637-L702 HydrophobicContact CG1-CD1 3.8Å; I637-L702 HydrophobicContact CG1-CG 4.13Å; V656-L702 HydrophobicContact CG2-CD2 4.3Å; L662-L702 HydrophobicContact CD1-CD1 4.4Å; L662-L702 HydrophobicContact CD1-CD2 4.41Å; P677-L702 HydrophobicContact CG-CD1 4.48Å; F678-L702 HydrophobicContact CZ-CB 4.42Å; F678-L702 HydrophobicContact CZ-CD1 4.39Å; A680-L702 HydrophobicContact CB-CB 3.97Å; A680-L702 HydrophobicContact CB-CD1 4.26Å; A680-L702 HydrophobicContact CB-CD2 4.21Å; A680-L702 HydrophobicContact CB-CG 4.37Å; V682-L702 HydrophobicContact CG2-CD2 4.09Å; I700-L702 HydrophobicContact CG2-CD2 4.01Å; I700-L702 HydrophobicContact CG2-CG 4.49Å
703A87.8Confident74.5Confident40 Ų4073.2 Ų73.233%0.33145%0.449SS..EExtended strand (participates in β ladder)trans-104.1146.5169.100000109.6A680 V681 D683A680-A703 WeakPolarHBondContact CA-O 3.39Å; A680-A703 WeakPolarHBondContact CB-O 3.03Å; V681-A703 PolarHBondContact N-O 3.27Å; V681-A703 PolarHBondContact O-N 2.94Å; D683-A703 HydrophobicContact CB-CB 4.37Å
704D79.3Confident73.5Confident99 Ų9976.5 Ų76.553%0.52947%0.469SS..EExtended strand (participates in β ladder)trans-62.7138.8174.4-81-27.3000110.5D706D704-D706 PolarHBondContact O-N 3.29Å; D704-D706 VanDerWaalsContact O-N 3.09Å
705S64.5Low72.5Confident50 Ų5075.9 Ų75.935%0.3546%0.464SS..THydrogen-bonded Turntrans-67.1-5.8-179.444.50000114.4
706D53.7Low71.7Confident150 Ų15073.7 Ų73.780%0.80246%0.463SS*.THydrogen-bonded Turntrans-9614.2-174.1-71.6-14.4000114.6D704D704-D706 PolarHBondContact O-N 3.29Å; D704-D706 VanDerWaalsContact O-N 3.09Å
707V45.3Very low70.5Confident126 Ų12675.5 Ų75.576%0.76446%0.46SS*.  trans-102.644.5178.7-161.10000112.5
708A32.6Very low68.9Low84 Ų8479.5 Ų79.569%0.69448%0.481SS*.SBendtrans-144.459.4170.600000111.3
709D30.9Very low66.8Low171 Ų17178.5 Ų78.591%0.91449%0.488SS*.  trans-173.286.2152.2-94.3-21.5000108.9
710S33Very low64.3Low192 Ų19285.5 Ų85.5100%1.34353%0.531SS*.  trans-146.70163.867.60000111.1

Retrieved 710 of 710 residues in 155.7 ms (Link to these results)

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