A0A087XBS1_POEFO Loading...

FERM domain containing kindlin 1

AlphaFold DB , UniProt , Accession A0A087XBS1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 666 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
1M36.1Very low52.1Low243 Ų243143.5 Ų143.5100%1.19778%0.778SS**  090.60-89.5179.8167.200108.6
2I35.3Very low55.4Low173 Ų173135.8 Ų135.889%0.88773%0.729SS**  trans-91107.7166.8-63.5171.2000104.6G4I2-G4 PolarHBondContact O-N 2.84Å; I2-G4 VanDerWaalsContact O-N 3.09Å
3K40.8Very low58.2Low204 Ų204133.1 Ų133.189%0.88771%0.71SS**  trans-66.8103166.7-82.4-176.5174.6-178.40106.1S5K3-S5 PolarHBondContact O-N 3.38Å
4G37.8Very low60.6Low68 Ų68123.6 Ų123.670%0.70166%0.659SS**  trans-58.4120.3166.900000108.1I2 A6I2-G4 PolarHBondContact O-N 2.84Å; I2-G4 VanDerWaalsContact O-N 3.09Å; G4-A6 PolarHBondContact O-N 3.29Å; G4-A6 VanDerWaalsContact O-N 3.1Å
5S40.3Very low62.6Low107 Ų107117.6 Ų117.675%0.74863%0.631SS**  trans-58.4111169.853.30000108.1K3 I7K3-S5 PolarHBondContact O-N 3.38Å; S5-I7 PolarHBondContact O-N 2.66Å; S5-I7 VanDerWaalsContact O-N 3.12Å
6A46.6Very low64.4Low89 Ų89110.3 Ų110.374%0.73659%0.591SS**  trans-57.9117.2163.400000106.7G4 E8G4-A6 PolarHBondContact O-N 3.29Å; G4-A6 VanDerWaalsContact O-N 3.1Å; A6-E8 PolarHBondContact O-N 3.45Å
7I52.8Low66.1Low150 Ų150106 Ų10677%0.76957%0.567SS**  trans-63.4107.9169.2-63.6168.9000104.5S5 E9S5-I7 PolarHBondContact O-N 2.66Å; S5-I7 VanDerWaalsContact O-N 3.12Å; I7-E9 PolarHBondContact O-N 3.06Å
8E54.5Low67.3Low184 Ų184100.1 Ų100.186%0.8654%0.536SS*.  trans-63.2100.7171.3-79.8-177.416400107.7A6 K10A6-E8 PolarHBondContact O-N 3.45Å; E8-K10 PolarHBondContact O-N 3.46Å
9E63.1Low68.1Low92 Ų9296.4 Ų96.443%0.4352%0.516SS..PPolyproline II helixtrans-62.9120.7173.5-73.2-168169.400109.3I7 G35I7-E9 PolarHBondContact O-N 3.06Å; E9-G35 WeakPolarHBondContact OE2-CA 3.41Å; E9-G35 PolarHBondContact OE2-N 3.37Å; E9-G35 VanDerWaalsContact OE2-N 3.08Å
10K79.8Confident68.1Low184 Ų18494 Ų9480%0.850%0.501SS*.PPolyproline II helixtrans-66.6130.4178.3-73.8-176.7179.3177.80109.2E8 W12E8-K10 PolarHBondContact O-N 3.46Å; K10-W12 PolarHBondContact O-N 3.1Å
11P86.5Confident67.6Low84 Ų8497.2 Ų97.255%0.54551%0.511SS..PPolyproline II helixtrans-64.9139.6176.727.3-34.1000110.2V33 T34P11-V33 CarbonylContact C-O 3.56Å; P11-V33 VanDerWaalsContact CA-O 3.22Å; P11-V33 WeakPolarHBondContact CA-O 3.34Å; P11-T34 HydrophobicContact CB-CG2 4.21Å
12W91.8Very high68.1Low51 Ų5193.5 Ų93.519%0.19349%0.49CS..EExtended strand (participates in β ladder)trans-123.1165.8178.251.9-92.3000110.5K10 L14 S32 V33 L77 I82 Q83 A84K10-W12 PolarHBondContact O-N 3.1Å; W12-L14 HydrophobicContact CE3-CB 4.21Å; W12-L14 HydrophobicContact CH2-CB 4.3Å; W12-L14 HydrophobicContact CH2-CD1 4.14Å; W12-L14 HydrophobicContact CH2-CD2 4.43Å; W12-L14 HydrophobicContact CZ3-CB 3.57Å; W12-L14 HydrophobicContact CZ3-CD1 3.73Å; W12-L14 HydrophobicContact CZ3-CD2 4.45Å; W12-L14 HydrophobicContact CZ3-CG 4.09Å; W12-S32 WeakPolarHBondContact O-CA 3.47Å; W12-V33 HydrophobicContact CD2-CG2 3.73Å; W12-V33 HydrophobicContact CE3-CG2 3.62Å; W12-V33 HydrophobicContact CH2-CG2 3.59Å; W12-V33 HydrophobicContact CZ2-CG2 3.67Å; W12-V33 HydrophobicContact CZ3-CG2 3.57Å; W12-V33 PolarHBondContact N-O 3.04Å; W12-V33 PolarHBondContact O-N 2.8Å; W12-L77 HydrophobicContact CH2-CD1 4Å; W12-L77 HydrophobicContact CZ2-CD1 3.92Å; W12-I82 HydrophobicContact CH2-CG2 4.09Å; W12-Q83 VanDerWaalsContact CZ3-C 3.46Å; W12-Q83 WeakPolarHBondContact CZ3-O 3.37Å; W12-A84 HydrophobicContact CB-CB 4.27Å; W12-A84 HydrophobicContact CD2-CB 4.17Å; W12-A84 HydrophobicContact CE3-CB 3.69Å; W12-A84 HydrophobicContact CG-CB 4.44Å; W12-A84 HydrophobicContact CZ3-CB 4.33Å
13Q91Very high68.8Low101 Ų10189.6 Ų89.647%0.47249%0.493SS..EExtended strand (participates in β ladder)trans-97.9118.2-174.7-69.7-69.6-39.100110.4L31Q13-L31 WeakPolarHBondContact CA-O 3.49Å
14L92Very high69.3Low0 Ų084.9 Ų84.90%048%0.478CS..EExtended strand (participates in β ladder)trans-99.9133.2174-176.460.4000110.1W12 V16 K30 L31 V33 L42 L77 I82 A86 L88W12-L14 HydrophobicContact CE3-CB 4.21Å; W12-L14 HydrophobicContact CH2-CB 4.3Å; W12-L14 HydrophobicContact CH2-CD1 4.14Å; W12-L14 HydrophobicContact CH2-CD2 4.43Å; W12-L14 HydrophobicContact CZ3-CB 3.57Å; W12-L14 HydrophobicContact CZ3-CD1 3.73Å; W12-L14 HydrophobicContact CZ3-CD2 4.45Å; W12-L14 HydrophobicContact CZ3-CG 4.09Å; L14-V16 HydrophobicContact CD2-CG2 4.43Å; L14-V16 HydrophobicContact CG-CG2 4.27Å; L14-K30 CarbonylContact O-C 3.47Å; L14-K30 WeakPolarHBondContact O-CA 3.07Å; L14-L31 PolarHBondContact N-O 3.24Å; L14-L31 PolarHBondContact O-N 3.44Å; L14-V33 HydrophobicContact CB-CG1 4.36Å; L14-V33 HydrophobicContact CB-CG2 3.79Å; L14-V33 HydrophobicContact CD2-CG2 4.41Å; L14-L42 HydrophobicContact CD2-CD1 4.01Å; L14-L42 HydrophobicContact CD2-CD2 3.53Å; L14-L42 HydrophobicContact CD2-CG 4.45Å; L14-L77 HydrophobicContact CD2-CD1 4.42Å; L14-I82 HydrophobicContact CD1-CG2 4.06Å; L14-A86 HydrophobicContact CD1-CB 4.05Å; L14-L88 HydrophobicContact CD1-CD1 4.28Å; L14-L88 HydrophobicContact CD1-CG 4.34Å; L14-L88 HydrophobicContact CD2-CD1 3.86Å; L14-L88 HydrophobicContact CG-CD1 4.41Å
15S90.6Very high70.2Confident34 Ų3489.8 Ų89.824%0.23848%0.482CS..EExtended strand (participates in β ladder)trans-96.8123.5175.9-173.80000110.5F29 L88S15-F29 WeakPolarHBondContact CA-O 3.4Å; S15-L88 PolarHBondContact O-N 3.41Å
16V92.2Very high71.5Confident0 Ų087.1 Ų87.10%046%0.463CS..EExtended strand (participates in β ladder)trans-122.3122.7175.3-169.50000109.8L14 F29 L31 L46 L61 L88L14-V16 HydrophobicContact CD2-CG2 4.43Å; L14-V16 HydrophobicContact CG-CG2 4.27Å; V16-F29 PolarHBondContact N-O 3.14Å; V16-F29 PolarHBondContact O-N 2.74Å; V16-L31 HydrophobicContact CG2-CD1 4.28Å; V16-L46 HydrophobicContact CB-CD1 4.23Å; V16-L46 HydrophobicContact CB-CD2 4.42Å; V16-L46 HydrophobicContact CG1-CD1 4.36Å; V16-L46 HydrophobicContact CG1-CD2 3.74Å; V16-L61 HydrophobicContact CG1-CD2 3.88Å; V16-L88 CarbonylContact C-O 3.53Å; V16-L88 WeakPolarHBondContact CA-O 3.41Å; V16-L88 HydrophobicContact CG1-CB 4.29Å; V16-L88 HydrophobicContact CG2-CB 4.3Å
17Q92.1Very high73.1Confident38 Ų3886.7 Ų86.718%0.17845%0.447CS..EExtended strand (participates in β ladder)trans-89.6128.6171.8-177.1174-3.700109S26 M27 K28 L88 R89 Y90Q17-S26 VanDerWaalsContact NE2-CB 3.3Å; Q17-S26 PolarHBondContact NE2-OG 3.03Å; Q17-M27 CarbonylContact C-O 3.51Å; Q17-M27 WeakPolarHBondContact CA-O 3.38Å; Q17-K28 HydrophobicContact CB-CG 4.22Å; Q17-K28 HydrophobicContact CG-CG 4.25Å; Q17-L88 PolarHBondContact N-O 3.22Å; Q17-R89 HydrophobicContact CB-CG 4.45Å; Q17-R89 CarbonylContact O-C 3.54Å; Q17-R89 VanDerWaalsContact O-CA 3.23Å; Q17-R89 WeakPolarHBondContact O-CA 3.46Å; Q17-Y90 PolarHBondContact O-N 3.01Å
18V88.7Confident74.7Confident0 Ų086.5 Ų86.50%044%0.441CS..EExtended strand (participates in β ladder)trans-106.5121.9-179.9-179.80000108.3M27 F29 L46 I50 W56 Y90V18-M27 PolarHBondContact N-O 2.93Å; V18-M27 PolarHBondContact O-N 3.14Å; V18-F29 HydrophobicContact CB-CD2 4.41Å; V18-F29 HydrophobicContact CB-CE2 4.16Å; V18-F29 HydrophobicContact CG2-CD2 3.59Å; V18-F29 HydrophobicContact CG2-CE2 3.7Å; V18-L46 HydrophobicContact CG2-CD1 3.96Å; V18-L46 HydrophobicContact CG2-CD2 4.12Å; V18-L46 HydrophobicContact CG2-CG 4.31Å; V18-I50 HydrophobicContact CG1-CD1 4.06Å; V18-I50 HydrophobicContact CG2-CD1 3.81Å; V18-I50 HydrophobicContact CG2-CG1 4.44Å; V18-W56 HydrophobicContact CG1-CH2 3.89Å; V18-W56 HydrophobicContact CG1-CZ3 3.99Å; V18-Y90 HydrophobicContact CG1-CD1 4.39Å
19D81.8Confident76.4Confident29 Ų2979.1 Ų79.116%0.15541%0.406CS..PPolyproline II helixtrans-80.7122.6172-65.6-12.9000108R89 Y90 T91D19-R89 WeakPolarHBondContact OD1-CD 3.19Å; D19-R89 WeakPolarHBondContact OD2-CD 3.41Å; D19-Y90 PolarHBondContact N-O 3.31Å; D19-T91 WeakPolarHBondContact OD2-CB 3.24Å; D19-T91 PolarHBondContact OD2-OG1 2.67Å
20Q68.1Low77.7Confident49 Ų4981.5 Ų81.523%0.22942%0.415CS..PPolyproline II helixtrans-93.3161170.5-67.5-164.311.500110.5Q22 D24 M27Q20-Q22 PolarHBondContact O-N 3.27Å; Q20-D24 HydrophobicContact CB-CB 4.38Å; Q20-M27 VanDerWaalsContact NE2-CE 3.27Å; Q20-M27 PolarHBondContact NE2-SD 3.46Å
21K57.4Low78.2Confident161 Ų16173.3 Ų73.370%0.738%0.38SS*.SBendtrans-60.7135.5176-74.3-174.7176.7-1780110.4
22Q46.6Very low78.4Confident165 Ų16572.3 Ų72.377%0.77137%0.374SS*.THydrogen-bonded Turntrans8.4106.4174-78.7178.2-9.200117.1Q20Q20-Q22 PolarHBondContact O-N 3.27Å
23G50.1Low78.5Confident91 Ų9169.9 Ų69.994%0.93837%0.366SS*.THydrogen-bonded Turntrans110.3-10.2159.400000116.6
24D51.1Low78.6Confident106 Ų10666.9 Ų66.957%0.56735%0.354SS*.SBendtrans-100148.2-179.8-131.6-13000112.7Q20 S26Q20-D24 HydrophobicContact CB-CB 4.38Å; D24-S26 PolarHBondContact O-N 2.62Å
25E56.7Low78.5Confident171 Ų17166.9 Ų66.980%0.79935%0.354SS*.PPolyproline II helixtrans-62.2131.2179.7-72.8-172.9163.200111M27E25-M27 PolarHBondContact O-N 3.4Å
26S67.3Low78.6Confident50 Ų5070 Ų7035%0.3537%0.368SS..PPolyproline II helixtrans-58.7122178.262.70000111.1Q17 D24Q17-S26 VanDerWaalsContact NE2-CB 3.3Å; Q17-S26 PolarHBondContact NE2-OG 3.03Å; D24-S26 PolarHBondContact O-N 2.62Å
27M82.2Confident78.7Confident80 Ų8071.2 Ų71.239%0.39438%0.375SS..EExtended strand (participates in β ladder)trans-84.2133.7-177.6-67.9-172.6-179.100110.8Q17 V18 Q20 E25 F29Q17-M27 CarbonylContact C-O 3.51Å; Q17-M27 WeakPolarHBondContact CA-O 3.38Å; V18-M27 PolarHBondContact N-O 2.93Å; V18-M27 PolarHBondContact O-N 3.14Å; Q20-M27 VanDerWaalsContact NE2-CE 3.27Å; Q20-M27 PolarHBondContact NE2-SD 3.46Å; E25-M27 PolarHBondContact O-N 3.4Å; M27-F29 HydrophobicContact CB-CD2 4.33Å; M27-F29 HydrophobicContact CB-CE2 3.5Å; M27-F29 VanDerWaalsContact CB-CE2 3.5Å; M27-F29 HydrophobicContact CB-CZ 3.95Å; M27-F29 HydrophobicContact SD-CE2 4.47Å; M27-F29 HydrophobicContact SD-CZ 4.08Å
28K85.9Confident78.9Confident146 Ų14674 Ų7464%0.63539%0.387SS*.EExtended strand (participates in β ladder)trans-104.3122.9175.8-70.2-176.6179.91790111Q17Q17-K28 HydrophobicContact CB-CG 4.22Å; Q17-K28 HydrophobicContact CG-CG 4.25Å
29F89.4Confident79.2Confident29 Ų2974 Ų7413%0.12739%0.387CS..EExtended strand (participates in β ladder)trans-111.2135.1177.8-63.5-88.9000110.6S15 V16 V18 M27 L46 K49 I50S15-F29 WeakPolarHBondContact CA-O 3.4Å; V16-F29 PolarHBondContact N-O 3.14Å; V16-F29 PolarHBondContact O-N 2.74Å; V18-F29 HydrophobicContact CB-CD2 4.41Å; V18-F29 HydrophobicContact CB-CE2 4.16Å; V18-F29 HydrophobicContact CG2-CD2 3.59Å; V18-F29 HydrophobicContact CG2-CE2 3.7Å; M27-F29 HydrophobicContact CB-CD2 4.33Å; M27-F29 HydrophobicContact CB-CE2 3.5Å; M27-F29 VanDerWaalsContact CB-CE2 3.5Å; M27-F29 HydrophobicContact CB-CZ 3.95Å; M27-F29 HydrophobicContact SD-CE2 4.47Å; M27-F29 HydrophobicContact SD-CZ 4.08Å; F29-L46 HydrophobicContact CB-CD1 3.93Å; F29-L46 HydrophobicContact CD2-CD1 4.04Å; F29-L46 HydrophobicContact CG-CD1 4.08Å; F29-K49 HydrophobicContact CD1-CD 3.97Å; F29-K49 HydrophobicContact CD1-CG 3.91Å; F29-K49 HydrophobicContact CE1-CG 4.32Å; F29-I50 HydrophobicContact CD2-CG1 4.27Å; F29-I50 HydrophobicContact CE1-CG1 4.14Å; F29-I50 HydrophobicContact CE2-CD1 4.41Å; F29-I50 HydrophobicContact CE2-CG1 3.65Å; F29-I50 HydrophobicContact CZ-CB 4.3Å; F29-I50 HydrophobicContact CZ-CG1 3.58Å
30K89.8Confident79.8Confident143 Ų14373.5 Ų73.562%0.62239%0.389SS*.EExtended strand (participates in β ladder)trans-100.4125.2168.3-64.4-173.6179.2-176.70109.8L14 K49L14-K30 CarbonylContact O-C 3.47Å; L14-K30 WeakPolarHBondContact O-CA 3.07Å; K30-K49 PolarHBondContact O-NZ 3.25Å
31L90.7Very high81.1Confident12 Ų1272.2 Ų72.26%0.06339%0.389CS..EExtended strand (participates in β ladder)trans-118.7135.9-177.6-65.5170.7000109.9Q13 L14 V16 V33 L42 L46 K49Q13-L31 WeakPolarHBondContact CA-O 3.49Å; L14-L31 PolarHBondContact N-O 3.24Å; L14-L31 PolarHBondContact O-N 3.44Å; V16-L31 HydrophobicContact CG2-CD1 4.28Å; L31-V33 HydrophobicContact CB-CG1 4.11Å; L31-L42 HydrophobicContact CD1-CD1 3.58Å; L31-L46 HydrophobicContact CD1-CB 4Å; L31-L46 HydrophobicContact CD1-CD1 3.97Å; L31-K49 HydrophobicContact CD2-CB 4.45Å; L31-K49 HydrophobicContact CD2-CD 3.56Å
32S91.6Very high82.8Confident62 Ų6264.6 Ų64.643%0.43436%0.356SS..EExtended strand (participates in β ladder)trans-82.4116.5172.4-161.70000109.2W12W12-S32 WeakPolarHBondContact O-CA 3.47Å
33V93.3Very high85.1Confident1 Ų158.5 Ų58.51%0.00633%0.328CS..EExtended strand (participates in β ladder)trans-133.8162.6-173.2-56.80000111.4P11 W12 L14 L31 L37 L42 L77P11-V33 CarbonylContact C-O 3.56Å; P11-V33 VanDerWaalsContact CA-O 3.22Å; P11-V33 WeakPolarHBondContact CA-O 3.34Å; W12-V33 HydrophobicContact CD2-CG2 3.73Å; W12-V33 HydrophobicContact CE3-CG2 3.62Å; W12-V33 HydrophobicContact CH2-CG2 3.59Å; W12-V33 HydrophobicContact CZ2-CG2 3.67Å; W12-V33 HydrophobicContact CZ3-CG2 3.57Å; W12-V33 PolarHBondContact N-O 3.04Å; W12-V33 PolarHBondContact O-N 2.8Å; L14-V33 HydrophobicContact CB-CG1 4.36Å; L14-V33 HydrophobicContact CB-CG2 3.79Å; L14-V33 HydrophobicContact CD2-CG2 4.41Å; L31-V33 HydrophobicContact CB-CG1 4.11Å; V33-L37 HydrophobicContact CB-CD2 3.85Å; V33-L37 HydrophobicContact CG1-CD2 3.61Å; V33-L42 HydrophobicContact CG1-CD1 3.97Å; V33-L77 HydrophobicContact CB-CD1 3.9Å; V33-L77 HydrophobicContact CG1-CD1 4.47Å; V33-L77 HydrophobicContact CG2-CD1 3.75Å
34T93.1Very high87.1Confident37 Ų3759.7 Ų59.723%0.22731%0.312CS..  trans-123.6159.4174.544.90000108.6P11 D36 L37P11-T34 HydrophobicContact CB-CG2 4.21Å; T34-D36 WeakPolarHBondContact CB-OD1 3.11Å; T34-D36 PolarHBondContact O-N 3.45Å; T34-D36 PolarHBondContact OG1-OD1 2.84Å; T34-L37 VanDerWaalsContact O-CB 3.29Å; T34-L37 WeakPolarHBondContact O-CB 3.46Å; T34-L37 PolarHBondContact O-N 3.15Å; T34-L37 VanDerWaalsContact O-N 3.12Å
35G89.9Confident89.1Confident0 Ų058.7 Ų58.70%030%0.303CS..THydrogen-bonded Turntrans-63.9-31.2-174.600000113.6E9 L37 T76 L77 D78E9-G35 WeakPolarHBondContact OE2-CA 3.41Å; E9-G35 PolarHBondContact OE2-N 3.37Å; E9-G35 VanDerWaalsContact OE2-N 3.08Å; G35-L37 VanDerWaalsContact C-N 3.28Å; G35-L37 PolarHBondContact O-N 3.25Å; G35-T76 WeakPolarHBondContact O-CB 3.37Å; G35-L77 PolarHBondContact O-N 3.03Å; G35-D78 VanDerWaalsContact CA-OD1 3.23Å; G35-D78 WeakPolarHBondContact CA-OD1 3.18Å; G35-D78 VanDerWaalsContact CA-OD2 3.31Å; G35-D78 WeakPolarHBondContact CA-OD2 3.48Å; G35-D78 PolarHBondContact O-N 2.75Å
36D93.2Very high90.7Very high100 Ų10050.5 Ų50.554%0.53527%0.265SS..THydrogen-bonded Turntrans-72.7-10.1175.571.6-23.8000114.9T34 H38 T76T34-D36 WeakPolarHBondContact CB-OD1 3.11Å; T34-D36 PolarHBondContact O-N 3.45Å; T34-D36 PolarHBondContact OG1-OD1 2.84Å; D36-H38 PolarHBondContact O-N 3.27Å; D36-T76 WeakPolarHBondContact O-CG2 3.44Å
37L94.1Very high91.8Very high26 Ų2650.2 Ų50.214%0.13626%0.261CS..  trans-64.6129.6178.9-176.465.4000110.5V33 T34 G35 L42 K45 T76 L77V33-L37 HydrophobicContact CB-CD2 3.85Å; V33-L37 HydrophobicContact CG1-CD2 3.61Å; T34-L37 VanDerWaalsContact O-CB 3.29Å; T34-L37 WeakPolarHBondContact O-CB 3.46Å; T34-L37 PolarHBondContact O-N 3.15Å; T34-L37 VanDerWaalsContact O-N 3.12Å; G35-L37 VanDerWaalsContact C-N 3.28Å; G35-L37 PolarHBondContact O-N 3.25Å; L37-L42 HydrophobicContact CD2-CB 4.17Å; L37-L42 HydrophobicContact CD2-CD1 4.46Å; L37-K45 HydrophobicContact CD2-CD 4.29Å; L37-T76 CarbonylContact O-C 3.6Å; L37-T76 WeakPolarHBondContact O-CA 3.39Å; L37-L77 HydrophobicContact CB-CD1 4.23Å; L37-L77 HydrophobicContact CB-CG 4.43Å; L37-L77 HydrophobicContact CD2-CD1 4.48Å; L37-L77 WeakPolarHBondContact O-CG 3.42Å; L37-L77 PolarHBondContact O-N 2.95Å
38H96.2Very high92.1Very high95 Ų9553.2 Ų53.244%0.4427%0.273SS..BIsolated β-bridgetrans-73.4149.3174.4-59.9-73000112.2D36 G40 G41 L42 H74 W75D36-H38 PolarHBondContact O-N 3.27Å; H38-G40 VanDerWaalsContact C-N 3.29Å; H38-G40 PolarHBondContact O-N 2.84Å; H38-G41 CarbonylContact O-C 3.6Å; H38-G41 WeakPolarHBondContact O-CA 3.25Å; H38-G41 PolarHBondContact O-N 2.67Å; H38-L42 PolarHBondContact O-N 2.61Å; H38-H74 PolarHBondContact ND1-O 2.71Å; H38-W75 CarbonylContact C-O 3.55Å; H38-W75 VanDerWaalsContact CA-O 3.28Å; H38-W75 WeakPolarHBondContact CA-O 3.35Å
39I95.8Very high92.2Very high1 Ų151.2 Ų51.21%0.00527%0.265CS..Hα-helixtrans-53.7-44.2175.5-65.2-65000111.8G41 L42 M43 L61 L70 T73 W75 L77 I82I39-G41 VanDerWaalsContact C-N 3.3Å; I39-G41 PolarHBondContact O-N 3.21Å; I39-L42 WeakPolarHBondContact O-CB 3.37Å; I39-L42 PolarHBondContact O-N 3.16Å; I39-L42 VanDerWaalsContact O-N 3.16Å; I39-M43 HydrophobicContact CG2-SD 4.32Å; I39-M43 WeakPolarHBondContact O-CG 3.34Å; I39-M43 PolarHBondContact O-N 3.47Å; I39-L61 HydrophobicContact CG2-CD1 4.06Å; I39-L70 HydrophobicContact CD1-CB 4.27Å; I39-L70 HydrophobicContact CD1-CD1 4.1Å; I39-L70 HydrophobicContact CG2-CB 4.32Å; I39-T73 PolarHBondContact N-O 3.27Å; I39-W75 WeakPolarHBondContact CG1-O 3.47Å; I39-W75 PolarHBondContact N-O 2.9Å; I39-L77 HydrophobicContact CD1-CD2 3.75Å; I39-I82 HydrophobicContact CD1-CD1 3.82Å
40G94.1Very high92Very high18 Ų1850.7 Ų50.719%0.18626%0.263CS..Hα-helixtrans-63.2-36.217600000112.8H38 L42 M43 L44 T73H38-G40 VanDerWaalsContact C-N 3.29Å; H38-G40 PolarHBondContact O-N 2.84Å; G40-L42 VanDerWaalsContact C-N 3.35Å; G40-M43 PolarHBondContact O-N 3.03Å; G40-L44 WeakPolarHBondContact O-CG 3.16Å; G40-L44 PolarHBondContact O-N 2.8Å; G40-T73 PolarHBondContact N-O 2.67Å
41G94.4Very high91.4Very high23 Ų2352.8 Ų52.824%0.23727%0.272CS..Hα-helixtrans-66.6-35.8173.800000112.7H38 I39 K45H38-G41 CarbonylContact O-C 3.6Å; H38-G41 WeakPolarHBondContact O-CA 3.25Å; H38-G41 PolarHBondContact O-N 2.67Å; I39-G41 VanDerWaalsContact C-N 3.3Å; I39-G41 PolarHBondContact O-N 3.21Å; G41-K45 WeakPolarHBondContact O-CG 3.39Å; G41-K45 PolarHBondContact O-N 3.2Å
42L94.2Very high90.8Very high0 Ų055.3 Ų55.30%029%0.288CS..Hα-helixtrans-63.8-44.6172.2176.462.4000111.7L14 L31 V33 L37 H38 I39 G40 L44 K45 L46 L61 L77 L88L14-L42 HydrophobicContact CD2-CD1 4.01Å; L14-L42 HydrophobicContact CD2-CD2 3.53Å; L14-L42 HydrophobicContact CD2-CG 4.45Å; L31-L42 HydrophobicContact CD1-CD1 3.58Å; V33-L42 HydrophobicContact CG1-CD1 3.97Å; L37-L42 HydrophobicContact CD2-CB 4.17Å; L37-L42 HydrophobicContact CD2-CD1 4.46Å; H38-L42 PolarHBondContact O-N 2.61Å; I39-L42 WeakPolarHBondContact O-CB 3.37Å; I39-L42 PolarHBondContact O-N 3.16Å; I39-L42 VanDerWaalsContact O-N 3.16Å; G40-L42 VanDerWaalsContact C-N 3.35Å; L42-L44 PolarHBondContact O-N 3.38Å; L42-K45 PolarHBondContact O-N 3.48Å; L42-L46 WeakPolarHBondContact O-CB 3.45Å; L42-L46 PolarHBondContact O-N 3.4Å; L42-L61 HydrophobicContact CD2-CD1 3.71Å; L42-L61 HydrophobicContact CG-CD1 4.15Å; L42-L77 HydrophobicContact CD2-CD2 4.03Å; L42-L88 HydrophobicContact CD2-CD1 3.98Å
43M93.9Very high90.1Very high37 Ų3762 Ų6218%0.18231%0.313CS..Hα-helixtrans-60.2-44.4176.6-66.4166.369.300111.6I39 G40 L46 V47 L61 T73 Y90I39-M43 HydrophobicContact CG2-SD 4.32Å; I39-M43 WeakPolarHBondContact O-CG 3.34Å; I39-M43 PolarHBondContact O-N 3.47Å; G40-M43 PolarHBondContact O-N 3.03Å; M43-L46 WeakPolarHBondContact O-CB 3.42Å; M43-L46 PolarHBondContact O-N 3.45Å; M43-V47 WeakPolarHBondContact O-CG2 3.32Å; M43-V47 PolarHBondContact O-N 3.44Å; M43-L61 HydrophobicContact CG-CD1 3.9Å; M43-L61 HydrophobicContact CG-CG 4.27Å; M43-T73 HydrophobicContact SD-CG2 4.34Å; M43-Y90 HydrophobicContact CE-CE2 3.97Å; M43-Y90 HydrophobicContact CG-CE2 4.03Å
44L92.3Very high89.6Confident116 Ų11665 Ų6561%0.60733%0.326SS*.Hα-helixtrans-61.2-50.2176.6-70.2171.2000112G40 L42 L46 V47 E48G40-L44 WeakPolarHBondContact O-CG 3.16Å; G40-L44 PolarHBondContact O-N 2.8Å; L42-L44 PolarHBondContact O-N 3.38Å; L44-L46 PolarHBondContact O-N 3.32Å; L44-V47 PolarHBondContact O-N 3.24Å; L44-E48 WeakPolarHBondContact O-CG 3.42Å; L44-E48 PolarHBondContact O-N 3.27Å
45K92.5Very high89.1Confident85 Ų8567.7 Ų67.737%0.3734%0.34SS..Hα-helixtrans-57.4-36.1176.2-80.4-176.4173.21800112.6L37 G41 L42 K49L37-K45 HydrophobicContact CD2-CD 4.29Å; G41-K45 WeakPolarHBondContact O-CG 3.39Å; G41-K45 PolarHBondContact O-N 3.2Å; L42-K45 PolarHBondContact O-N 3.48Å; K45-K49 WeakPolarHBondContact O-CB 3.27Å; K45-K49 PolarHBondContact O-N 2.7Å
46L91.3Very high89Confident0 Ų069.1 Ų69.10%035%0.345CS..Hα-helixtrans-68.3-49.2178-178.864.7000111.1V16 V18 F29 L31 L42 M43 L44 E48 K49 I50 Y90V16-L46 HydrophobicContact CB-CD1 4.23Å; V16-L46 HydrophobicContact CB-CD2 4.42Å; V16-L46 HydrophobicContact CG1-CD1 4.36Å; V16-L46 HydrophobicContact CG1-CD2 3.74Å; V18-L46 HydrophobicContact CG2-CD1 3.96Å; V18-L46 HydrophobicContact CG2-CD2 4.12Å; V18-L46 HydrophobicContact CG2-CG 4.31Å; F29-L46 HydrophobicContact CB-CD1 3.93Å; F29-L46 HydrophobicContact CD2-CD1 4.04Å; F29-L46 HydrophobicContact CG-CD1 4.08Å; L31-L46 HydrophobicContact CD1-CB 4Å; L31-L46 HydrophobicContact CD1-CD1 3.97Å; L42-L46 WeakPolarHBondContact O-CB 3.45Å; L42-L46 PolarHBondContact O-N 3.4Å; M43-L46 WeakPolarHBondContact O-CB 3.42Å; M43-L46 PolarHBondContact O-N 3.45Å; L44-L46 PolarHBondContact O-N 3.32Å; L46-E48 PolarHBondContact O-N 3.12Å; L46-K49 WeakPolarHBondContact O-CB 3.44Å; L46-K49 PolarHBondContact O-N 2.59Å; L46-K49 VanDerWaalsContact O-N 3.09Å; L46-I50 HydrophobicContact CD1-CD1 4.2Å; L46-I50 HydrophobicContact CD1-CG1 4.49Å; L46-I50 HydrophobicContact CG-CD1 3.86Å; L46-I50 VanDerWaalsContact O-CG1 3.29Å; L46-I50 WeakPolarHBondContact O-CG1 3.48Å; L46-I50 PolarHBondContact O-N 3.11Å; L46-Y90 HydrophobicContact CD2-CD1 3.55Å; L46-Y90 HydrophobicContact CD2-CD2 4.13Å; L46-Y90 HydrophobicContact CD2-CE1 4.18Å; L46-Y90 HydrophobicContact CD2-CG 3.5Å; L46-Y90 HydrophobicContact CG-CD1 4.49Å
47V89.8Confident88.8Confident44 Ų4468.3 Ų68.327%0.26735%0.347SS..Hα-helixtrans-61.9-41.9178.8172.40000111.5M43 L44 K49 I50 K51 W56 Y90M43-V47 WeakPolarHBondContact O-CG2 3.32Å; M43-V47 PolarHBondContact O-N 3.44Å; L44-V47 PolarHBondContact O-N 3.24Å; V47-K49 PolarHBondContact O-N 2.65Å; V47-I50 PolarHBondContact O-N 3.36Å; V47-K51 PolarHBondContact O-N 2.89Å; V47-W56 HydrophobicContact CG1-CG 4.46Å; V47-W56 HydrophobicContact CG2-CB 4.43Å; V47-W56 HydrophobicContact CG2-CD2 4.13Å; V47-W56 HydrophobicContact CG2-CG 3.97Å; V47-Y90 HydrophobicContact CG2-CE1 4.27Å
48E88.9Confident88.6Confident142 Ų14268.7 Ų68.766%0.66435%0.349SS*.Hα-helixtrans-58.1-34.8173.8-75176.6179.500112.7L44 L46 K51L44-E48 WeakPolarHBondContact O-CG 3.42Å; L44-E48 PolarHBondContact O-N 3.27Å; L46-E48 PolarHBondContact O-N 3.12Å; E48-K51 WeakPolarHBondContact O-CG 3.49Å
49K87.8Confident88.4Confident105 Ų10564.6 Ų64.646%0.45733%0.33SS..Hα-helixtrans-79.8-33.4-179.3-169.9168.7-176.9162.50113.3F29 K30 L31 K45 L46 V47 K51F29-K49 HydrophobicContact CD1-CD 3.97Å; F29-K49 HydrophobicContact CD1-CG 3.91Å; F29-K49 HydrophobicContact CE1-CG 4.32Å; K30-K49 PolarHBondContact O-NZ 3.25Å; L31-K49 HydrophobicContact CD2-CB 4.45Å; L31-K49 HydrophobicContact CD2-CD 3.56Å; K45-K49 WeakPolarHBondContact O-CB 3.27Å; K45-K49 PolarHBondContact O-N 2.7Å; L46-K49 WeakPolarHBondContact O-CB 3.44Å; L46-K49 PolarHBondContact O-N 2.59Å; L46-K49 VanDerWaalsContact O-N 3.09Å; V47-K49 PolarHBondContact O-N 2.65Å; K49-K51 VanDerWaalsContact C-N 3.3Å; K49-K51 PolarHBondContact O-N 3.47Å
50I85.3Confident88.4Confident17 Ų1764.8 Ų64.89%0.08733%0.332CS..Hα-helixtrans-67.3-32.6179.5-65.6160000111V18 F29 L46 V47 T52 W56V18-I50 HydrophobicContact CG1-CD1 4.06Å; V18-I50 HydrophobicContact CG2-CD1 3.81Å; V18-I50 HydrophobicContact CG2-CG1 4.44Å; F29-I50 HydrophobicContact CD2-CG1 4.27Å; F29-I50 HydrophobicContact CE1-CG1 4.14Å; F29-I50 HydrophobicContact CE2-CD1 4.41Å; F29-I50 HydrophobicContact CE2-CG1 3.65Å; F29-I50 HydrophobicContact CZ-CB 4.3Å; F29-I50 HydrophobicContact CZ-CG1 3.58Å; L46-I50 HydrophobicContact CD1-CD1 4.2Å; L46-I50 HydrophobicContact CD1-CG1 4.49Å; L46-I50 HydrophobicContact CG-CD1 3.86Å; L46-I50 VanDerWaalsContact O-CG1 3.29Å; L46-I50 WeakPolarHBondContact O-CG1 3.48Å; L46-I50 PolarHBondContact O-N 3.11Å; V47-I50 PolarHBondContact O-N 3.36Å; I50-T52 WeakPolarHBondContact CG2-OG1 3.47Å; I50-T52 PolarHBondContact O-N 3.49Å; I50-T52 PolarHBondContact O-OG1 3.28Å; I50-W56 HydrophobicContact CB-CZ2 4.32Å; I50-W56 HydrophobicContact CD1-CH2 3.57Å; I50-W56 HydrophobicContact CD1-CZ2 3.83Å; I50-W56 HydrophobicContact CD1-CZ3 4.33Å; I50-W56 HydrophobicContact CG2-CH2 4.14Å; I50-W56 HydrophobicContact CG2-CZ2 3.8Å
51K76.5Confident88.5Confident188 Ų18864 Ų6482%0.81732%0.323SS*.  trans53.421.1179.2-62.4-173.2178.2-176.40115V47 E48 K49V47-K51 PolarHBondContact O-N 2.89Å; E48-K51 WeakPolarHBondContact O-CG 3.49Å; K49-K51 VanDerWaalsContact C-N 3.3Å; K49-K51 PolarHBondContact O-N 3.47Å
52T78.5Confident88.5Confident65 Ų6563 Ų6340%0.39931%0.313SS..  trans-97.2130.2175.1-53.50000110I50 Q54I50-T52 WeakPolarHBondContact CG2-OG1 3.47Å; I50-T52 PolarHBondContact O-N 3.49Å; I50-T52 PolarHBondContact O-OG1 3.28Å; T52-Q54 PolarHBondContact O-N 3.04Å
53Q76.1Confident88.6Confident203 Ų20363.7 Ų63.795%0.94932%0.315SS*.  trans-80.795.3175-167.4176.83.700109.6
54Q82.7Confident88.3Confident62 Ų6265.6 Ų65.629%0.2932%0.323SS..SBendtrans-146.4167.5173.569.3172.69.800112T52 W56T52-Q54 PolarHBondContact O-N 3.04Å; Q54-W56 HydrophobicContact CG-CD2 3.99Å; Q54-W56 VanDerWaalsContact CG-CE2 3.43Å; Q54-W56 HydrophobicContact CG-CG 4.46Å; Q54-W56 HydrophobicContact CG-CH2 4.3Å; Q54-W56 HydrophobicContact CG-CZ2 3.62Å; Q54-W56 PolarHBondContact O-N 2.9Å
55D84.3Confident88.2Confident95 Ų9565 Ų6551%0.50832%0.317SS..  trans-77115.1173.9-179.115.1000110.7S57 K181D55-S57 WeakPolarHBondContact OD1-CB 3.37Å; D55-S57 PolarHBondContact OD1-N 2.99Å; D55-S57 PolarHBondContact OD1-OG 2.78Å; D55-S57 PolarHBondContact OD2-OG 3.33Å; D55-K181 IonicContact OD2-NZ 3.73Å
56W87.6Confident88.2Confident30 Ų3068.8 Ų68.811%0.11433%0.33CS..  trans-102.52.9178-62102.8000113.1V18 V47 I50 Q54 D58 H59 Y90V18-W56 HydrophobicContact CG1-CH2 3.89Å; V18-W56 HydrophobicContact CG1-CZ3 3.99Å; V47-W56 HydrophobicContact CG1-CG 4.46Å; V47-W56 HydrophobicContact CG2-CB 4.43Å; V47-W56 HydrophobicContact CG2-CD2 4.13Å; V47-W56 HydrophobicContact CG2-CG 3.97Å; I50-W56 HydrophobicContact CB-CZ2 4.32Å; I50-W56 HydrophobicContact CD1-CH2 3.57Å; I50-W56 HydrophobicContact CD1-CZ2 3.83Å; I50-W56 HydrophobicContact CD1-CZ3 4.33Å; I50-W56 HydrophobicContact CG2-CH2 4.14Å; I50-W56 HydrophobicContact CG2-CZ2 3.8Å; Q54-W56 HydrophobicContact CG-CD2 3.99Å; Q54-W56 VanDerWaalsContact CG-CE2 3.43Å; Q54-W56 HydrophobicContact CG-CG 4.46Å; Q54-W56 HydrophobicContact CG-CH2 4.3Å; Q54-W56 HydrophobicContact CG-CZ2 3.62Å; Q54-W56 PolarHBondContact O-N 2.9Å; W56-D58 PolarHBondContact O-N 3.33Å; W56-D58 VanDerWaalsContact O-N 3.11Å; W56-H59 HydrophobicContact CE3-CB 4.23Å; W56-H59 AromaticContact CE3-CD2 3.61Å; W56-H59 AromaticContact CE3-CE1 3.9Å; W56-H59 AromaticContact CE3-CG 3.67Å; W56-H59 AromaticContact CE3-ND1 3.86Å; W56-H59 AromaticContact CE3-NE2 3.75Å; W56-H59 AromaticContact CZ3-CD2 3.68Å; W56-H59 AromaticContact CZ3-NE2 3.74Å; W56-H59 PolarHBondContact O-N 3.03Å; W56-Y90 HydrophobicContact CD2-CE1 4.19Å; W56-Y90 HydrophobicContact CE3-CD1 4.07Å; W56-Y90 AromaticContact CE3-CE1 3.4Å; W56-Y90 HydrophobicContact CE3-CE1 3.4Å; W56-Y90 VanDerWaalsContact CE3-CE1 3.4Å; W56-Y90 AromaticContact CZ3-CD1 3.83Å; W56-Y90 HydrophobicContact CZ3-CD1 3.83Å; W56-Y90 AromaticContact CZ3-CE1 3.65Å; W56-Y90 HydrophobicContact CZ3-CE1 3.65Å
57S88.8Confident88.2Confident82 Ų8272.3 Ų72.357%0.57335%0.345SS*.THydrogen-bonded Turntrans-57.3-30.4-173.958.90000113.8D55D55-S57 WeakPolarHBondContact OD1-CB 3.37Å; D55-S57 PolarHBondContact OD1-N 2.99Å; D55-S57 PolarHBondContact OD1-OG 2.78Å; D55-S57 PolarHBondContact OD2-OG 3.33Å
58D90.3Very high88.4Confident34 Ų3472 Ų7218%0.18235%0.345CS..THydrogen-bonded Turntrans-91.8-2.7-179.5-167.247.2000114.2W56 P92 Q93 H94W56-D58 PolarHBondContact O-N 3.33Å; W56-D58 VanDerWaalsContact O-N 3.11Å; D58-P92 CarbonylContact O-C 3.47Å; D58-Q93 WeakPolarHBondContact O-CB 3.41Å; D58-Q93 WeakPolarHBondContact O-CG 3.23Å; D58-Q93 PolarHBondContact O-N 3.13Å; D58-Q93 PolarHBondContact OD2-N 2.95Å; D58-H94 IonicContact OD1-CE1 3.48Å; D58-H94 IonicContact OD1-CG 2.86Å; D58-H94 IonicContact OD1-ND1 3.67Å; D58-H94 PolarHBondContact OD1-ND1 2.73Å; D58-H94 WeakPolarHBondContact OD2-CB 3.34Å; D58-H94 IonicContact OD2-CG 3.66Å; D58-H94 PolarHBondContact OD2-N 2.65Å; D58-H94 IonicContact OD2-ND1 2.66Å
59H92.3Very high88.7Confident10 Ų1066.5 Ų66.55%0.04632%0.318CS..EExtended strand (participates in β ladder)trans-88.5141-175.9-68.463.7000112W56 Y90 T91W56-H59 HydrophobicContact CE3-CB 4.23Å; W56-H59 AromaticContact CE3-CD2 3.61Å; W56-H59 AromaticContact CE3-CE1 3.9Å; W56-H59 AromaticContact CE3-CG 3.67Å; W56-H59 AromaticContact CE3-ND1 3.86Å; W56-H59 AromaticContact CE3-NE2 3.75Å; W56-H59 AromaticContact CZ3-CD2 3.68Å; W56-H59 AromaticContact CZ3-NE2 3.74Å; W56-H59 PolarHBondContact O-N 3.03Å; H59-Y90 HydrophobicContact CB-CD1 4.24Å; H59-Y90 HydrophobicContact CB-CD2 4.29Å; H59-Y90 HydrophobicContact CB-CE1 3.71Å; H59-Y90 HydrophobicContact CB-CE2 3.73Å; H59-Y90 VanDerWaalsContact CB-CZ 3.41Å; H59-T91 WeakPolarHBondContact CA-O 3.42Å
60A95.3Very high89.1Confident5 Ų562.2 Ų62.24%0.04130%0.3CS..EExtended strand (participates in β ladder)trans-138.5168172.800000111.1W69 L71 Y90 T91 Q93A60-W69 HydrophobicContact CB-CE3 3.87Å; A60-W69 HydrophobicContact CB-CZ3 3.84Å; A60-L71 HydrophobicContact CB-CD2 3.81Å; A60-Y90 WeakPolarHBondContact O-CA 3.22Å; A60-Y90 WeakPolarHBondContact O-CD2 3.09Å; A60-T91 PolarHBondContact N-O 2.73Å; A60-T91 PolarHBondContact O-N 2.83Å; A60-Q93 HydrophobicContact CB-CG 3.62Å
61L95.8Very high89.5Confident0 Ų065.1 Ų65.10%032%0.315CS..EExtended strand (participates in β ladder)trans-89.3124.2177.4-72.2165.5000110.2V16 I39 L42 M43 L70 L88 R89 Y90V16-L61 HydrophobicContact CG1-CD2 3.88Å; I39-L61 HydrophobicContact CG2-CD1 4.06Å; L42-L61 HydrophobicContact CD2-CD1 3.71Å; L42-L61 HydrophobicContact CG-CD1 4.15Å; M43-L61 HydrophobicContact CG-CD1 3.9Å; M43-L61 HydrophobicContact CG-CG 4.27Å; L61-L70 HydrophobicContact CB-CB 4Å; L61-L70 HydrophobicContact CB-CD1 4.03Å; L61-L70 HydrophobicContact CB-CG 4.5Å; L61-L70 PolarHBondContact O-N 3.07Å; L61-L88 HydrophobicContact CD2-CB 4.24Å; L61-L88 HydrophobicContact CD2-CD1 4.38Å; L61-R89 CarbonylContact C-O 3.53Å; L61-R89 WeakPolarHBondContact CA-O 3.32Å; L61-Y90 HydrophobicContact CD2-CD2 3.83Å; L61-Y90 HydrophobicContact CD2-CG 4.38Å; L61-Y90 HydrophobicContact CG-CD2 3.96Å
62W95.4Very high90.3Very high3 Ų361.3 Ų61.31%0.01130%0.298CS..EExtended strand (participates in β ladder)trans-105.9131.9172.8169.2-109.6000109.9E64 K67 C68 W69 L88 R89 T91 M246 E247W62-E64 PolarHBondContact NE1-OE2 2.86Å; W62-K67 VanDerWaalsContact CH2-CA 3.4Å; W62-K67 HydrophobicContact CH2-CB 3.92Å; W62-K67 HydrophobicContact CZ2-CB 4.08Å; W62-K67 HydrophobicContact CZ2-CG 4.45Å; W62-C68 VanDerWaalsContact CZ3-C 3.4Å; W62-C68 VanDerWaalsContact CZ3-N 3.35Å; W62-W69 HydrophobicContact CB-CE3 4.21Å; W62-W69 HydrophobicContact CB-CZ3 4.21Å; W62-W69 AromaticContact CE3-CD1 3.71Å; W62-W69 AromaticContact CE3-CD2 3.82Å; W62-W69 HydrophobicContact CE3-CD2 3.82Å; W62-W69 AromaticContact CE3-CE2 3.78Å; W62-W69 AromaticContact CE3-CG 3.8Å; W62-W69 HydrophobicContact CE3-CG 3.8Å; W62-W69 AromaticContact CE3-NE1 3.66Å; W62-W69 AromaticContact CZ3-CD1 3.61Å; W62-W69 HydrophobicContact CZ3-CD2 4.48Å; W62-W69 HydrophobicContact CZ3-CG 4.12Å; W62-W69 AromaticContact CZ3-NE1 3.66Å; W62-L88 CarbonylContact O-C 3.59Å; W62-L88 WeakPolarHBondContact O-CA 3.33Å; W62-R89 HydrophobicContact CB-CB 4.29Å; W62-R89 PolarHBondContact N-O 3.11Å; W62-R89 PolarHBondContact O-N 3.41Å; W62-T91 HydrophobicContact CB-CG2 4.27Å; W62-M246 HydrophobicContact CD2-CG 3.82Å; W62-M246 HydrophobicContact CE3-CB 4.33Å; W62-M246 HydrophobicContact CE3-CG 3.93Å; W62-M246 HydrophobicContact CG-CG 4.49Å; W62-M246 HydrophobicContact CH2-CB 4.03Å; W62-M246 HydrophobicContact CH2-CG 3.83Å; W62-M246 HydrophobicContact CZ2-CB 4.41Å; W62-M246 HydrophobicContact CZ2-CG 3.72Å; W62-M246 HydrophobicContact CZ3-CB 3.99Å; W62-M246 HydrophobicContact CZ3-CG 3.94Å; W62-E247 HydrophobicContact CH2-CG 4.04Å; W62-E247 HydrophobicContact CZ3-CG 4.19Å
63W94.6Very high91.1Very high15 Ų1561.7 Ų61.76%0.05730%0.301CS..EExtended strand (participates in β ladder)trans-105.3100.4175.8-1711.7000110.5Q65 R66 K67 C68 C80 G81 I82 A86 L88W63-Q65 PolarHBondContact O-N 3.41Å; W63-R66 HydrophobicContact CD2-CB 3.96Å; W63-R66 HydrophobicContact CD2-CG 3.91Å; W63-R66 HydrophobicContact CE3-CB 4.16Å; W63-R66 HydrophobicContact CE3-CG 4.06Å; W63-R66 HydrophobicContact CG-CB 4.22Å; W63-R66 HydrophobicContact CH2-CG 4.06Å; W63-R66 VanDerWaalsContact CH2-NE 3.27Å; W63-R66 HydrophobicContact CZ2-CG 3.91Å; W63-R66 VanDerWaalsContact CZ3-CD 3.45Å; W63-R66 HydrophobicContact CZ3-CG 4.14Å; W63-R66 PolarHBondContact O-N 3.44Å; W63-K67 WeakPolarHBondContact O-CA 3.46Å; W63-K67 PolarHBondContact O-N 2.95Å; W63-C68 PolarHBondContact N-O 3.26Å; W63-C68 PolarHBondContact O-N 3.25Å; W63-C80 WeakPolarHBondContact CZ3-O 3.46Å; W63-G81 WeakPolarHBondContact CH2-O 3.49Å; W63-I82 HydrophobicContact CE3-CG1 3.92Å; W63-I82 HydrophobicContact CH2-CG1 4.02Å; W63-I82 HydrophobicContact CZ3-CG1 3.57Å; W63-A86 HydrophobicContact CZ2-CB 4.07Å; W63-L88 HydrophobicContact CB-CD2 3.75Å; W63-L88 HydrophobicContact CD2-CD2 4.28Å; W63-L88 HydrophobicContact CG-CD2 3.72Å
64E88.1Confident91.9Very high76 Ų7658 Ų5836%0.35528%0.283SS..G310 helixtrans-59.1-46.8-174.5-169.172.3-149.100112.7W62 R66 K67 R89W62-E64 PolarHBondContact NE1-OE2 2.86Å; E64-R66 VanDerWaalsContact C-N 3.27Å; E64-R66 PolarHBondContact O-N 3.11Å; E64-K67 PolarHBondContact O-N 3.43Å; E64-K67 VanDerWaalsContact O-N 3.15Å; E64-R89 IonicContact OE2-CZ 3.06Å; E64-R89 IonicContact OE2-NH2 3.98Å; E64-R89 PolarHBondContact OE2-NH2 2.98Å
65Q90.9Very high92.6Very high103 Ų10358.2 Ų58.248%0.48128%0.282SS..G310 helixtrans-65.9-29.6-174.2-62111.2-43.400113.3W63 D85 V87W63-Q65 PolarHBondContact O-N 3.41Å; Q65-D85 PolarHBondContact NE2-O 3.4Å; Q65-D85 VanDerWaalsContact NE2-O 3.09Å; Q65-V87 VanDerWaalsContact NE2-N 3.15Å; Q65-V87 PolarHBondContact OE1-O 3.19Å
66R91.1Very high93.1Very high165 Ų16555.3 Ų55.362%0.62327%0.267SS*.G310 helixtrans-100.3-2.8176.4-70.1-158.1179.2-129.40113.7W63 E64 C68W63-R66 HydrophobicContact CD2-CB 3.96Å; W63-R66 HydrophobicContact CD2-CG 3.91Å; W63-R66 HydrophobicContact CE3-CB 4.16Å; W63-R66 HydrophobicContact CE3-CG 4.06Å; W63-R66 HydrophobicContact CG-CB 4.22Å; W63-R66 HydrophobicContact CH2-CG 4.06Å; W63-R66 VanDerWaalsContact CH2-NE 3.27Å; W63-R66 HydrophobicContact CZ2-CG 3.91Å; W63-R66 VanDerWaalsContact CZ3-CD 3.45Å; W63-R66 HydrophobicContact CZ3-CG 4.14Å; W63-R66 PolarHBondContact O-N 3.44Å; E64-R66 VanDerWaalsContact C-N 3.27Å; E64-R66 PolarHBondContact O-N 3.11Å; R66-C68 PolarHBondContact O-N 2.92Å
67K92.4Very high93.4Very high74 Ų7453.9 Ų53.932%0.32226%0.262SS..THydrogen-bonded Turntrans45.955.9-172.9-61.1-166.3178.4-1640112.5W62 W63 E64 E247 D249W62-K67 VanDerWaalsContact CH2-CA 3.4Å; W62-K67 HydrophobicContact CH2-CB 3.92Å; W62-K67 HydrophobicContact CZ2-CB 4.08Å; W62-K67 HydrophobicContact CZ2-CG 4.45Å; W63-K67 WeakPolarHBondContact O-CA 3.46Å; W63-K67 PolarHBondContact O-N 2.95Å; E64-K67 PolarHBondContact O-N 3.43Å; E64-K67 VanDerWaalsContact O-N 3.15Å; K67-E247 WeakPolarHBondContact O-CG 3.18Å; K67-D249 IonicContact NZ-OD1 2.68Å; K67-D249 PolarHBondContact NZ-OD1 3.39Å; K67-D249 IonicContact NZ-OD2 3.06Å; K67-D249 PolarHBondContact NZ-OD2 2.93Å
68C93.7Very high93.6Very high39 Ų3954 Ų5426%0.26426%0.256SS..EExtended strand (participates in β ladder)trans-143.5150179.467.30000113.3W62 W63 R66W62-C68 VanDerWaalsContact CZ3-C 3.4Å; W62-C68 VanDerWaalsContact CZ3-N 3.35Å; W63-C68 PolarHBondContact N-O 3.26Å; W63-C68 PolarHBondContact O-N 3.25Å; R66-C68 PolarHBondContact O-N 2.92Å
69W95.6Very high93.7Very high25 Ų2558.2 Ų58.210%0.09527%0.273CS..EExtended strand (participates in β ladder)trans-84.6142.5171.9-6994.9000112.5A60 W62 L71 T91 Q93 F113 S244 M246A60-W69 HydrophobicContact CB-CE3 3.87Å; A60-W69 HydrophobicContact CB-CZ3 3.84Å; W62-W69 HydrophobicContact CB-CE3 4.21Å; W62-W69 HydrophobicContact CB-CZ3 4.21Å; W62-W69 AromaticContact CE3-CD1 3.71Å; W62-W69 AromaticContact CE3-CD2 3.82Å; W62-W69 HydrophobicContact CE3-CD2 3.82Å; W62-W69 AromaticContact CE3-CE2 3.78Å; W62-W69 AromaticContact CE3-CG 3.8Å; W62-W69 HydrophobicContact CE3-CG 3.8Å; W62-W69 AromaticContact CE3-NE1 3.66Å; W62-W69 AromaticContact CZ3-CD1 3.61Å; W62-W69 HydrophobicContact CZ3-CD2 4.48Å; W62-W69 HydrophobicContact CZ3-CG 4.12Å; W62-W69 AromaticContact CZ3-NE1 3.66Å; W69-L71 HydrophobicContact CB-CD1 4.26Å; W69-L71 HydrophobicContact CB-CD2 3.94Å; W69-L71 HydrophobicContact CB-CG 3.77Å; W69-L71 HydrophobicContact CE3-CD2 4.34Å; W69-T91 HydrophobicContact CH2-CG2 3.64Å; W69-T91 HydrophobicContact CZ3-CG2 3.9Å; W69-Q93 HydrophobicContact CH2-CG 4.33Å; W69-Q93 HydrophobicContact CZ3-CG 4.07Å; W69-F113 HydrophobicContact CZ2-CB 4.27Å; W69-F113 PolarHBondContact NE1-O 2.72Å; W69-S244 PolarHBondContact NE1-OG 3.01Å; W69-M246 HydrophobicContact CZ2-CB 3.98Å; W69-M246 HydrophobicContact CZ2-CG 4.13Å
70L95.3Very high93.6Very high15 Ų1559 Ų598%0.07928%0.279CS..EExtended strand (participates in β ladder)trans-10368.9176.4-59171.7000109.9I39 L61 C80 I82 L88I39-L70 HydrophobicContact CD1-CB 4.27Å; I39-L70 HydrophobicContact CD1-CD1 4.1Å; I39-L70 HydrophobicContact CG2-CB 4.32Å; L61-L70 HydrophobicContact CB-CB 4Å; L61-L70 HydrophobicContact CB-CD1 4.03Å; L61-L70 HydrophobicContact CB-CG 4.5Å; L61-L70 PolarHBondContact O-N 3.07Å; L70-C80 HydrophobicContact CD2-CB 4.23Å; L70-I82 HydrophobicContact CD1-CD1 3.49Å; L70-I82 VanDerWaalsContact CD1-CD1 3.49Å; L70-I82 HydrophobicContact CD2-CD1 4.12Å; L70-I82 HydrophobicContact CG-CD1 4.46Å; L70-L88 HydrophobicContact CD1-CD1 4.13Å; L70-L88 HydrophobicContact CD1-CD2 3.9Å
71L94.1Very high93.5Very high78 Ų7860.1 Ų60.141%0.40829%0.291SS..  trans-83.7-20.6-174.9-54.8-179.9000113.6A60 W69 T73A60-L71 HydrophobicContact CB-CD2 3.81Å; W69-L71 HydrophobicContact CB-CD1 4.26Å; W69-L71 HydrophobicContact CB-CD2 3.94Å; W69-L71 HydrophobicContact CB-CG 3.77Å; W69-L71 HydrophobicContact CE3-CD2 4.34Å; L71-T73 PolarHBondContact O-N 2.86Å
72K94.3Very high93.3Very high108 Ų10860.2 Ų60.247%0.4729%0.292SS..  trans-80.783.7-177.7-63.6-178-173.7173.10110.5H74 W75K72-H74 PolarHBondContact O-N 3.03Å; K72-W75 HydrophobicContact CB-CB 4.28Å; K72-W75 HydrophobicContact CB-CD2 3.91Å; K72-W75 HydrophobicContact CB-CE3 4.49Å; K72-W75 HydrophobicContact CB-CG 3.77Å; K72-W75 HydrophobicContact CD-CD2 3.66Å; K72-W75 HydrophobicContact CD-CE3 4.02Å; K72-W75 HydrophobicContact CD-CG 4.33Å; K72-W75 HydrophobicContact CD-CH2 3.75Å; K72-W75 HydrophobicContact CD-CZ2 3.33Å; K72-W75 HydrophobicContact CD-CZ3 4.06Å; K72-W75 HydrophobicContact CG-CD2 4.42Å; K72-W75 VanDerWaalsContact NZ-CH2 3.3Å; K72-W75 VanDerWaalsContact NZ-CZ2 3.26Å; K72-W75 WeakPolarHBondContact O-CB 3.44Å; K72-W75 PolarHBondContact O-N 2.72Å
73T94.4Very high93.1Very high74 Ų7466 Ų6645%0.45432%0.319SS..THydrogen-bonded Turntrans-55.8-27-17557.30000114.8I39 G40 M43 L71I39-T73 PolarHBondContact N-O 3.27Å; G40-T73 PolarHBondContact N-O 2.67Å; M43-T73 HydrophobicContact SD-CG2 4.34Å; L71-T73 PolarHBondContact O-N 2.86Å
74H93.7Very high92.8Very high124 Ų12468.2 Ų68.257%0.57434%0.34SS*.THydrogen-bonded Turntrans-84.4-9.2179.165.1-78.2000114.1H38 K72H38-H74 PolarHBondContact ND1-O 2.71Å; K72-H74 PolarHBondContact O-N 3.03Å
75W96.2Very high92.8Very high68 Ų6870.2 Ų70.226%0.25835%0.353SS..SBendtrans-76.5146.5176.9-75.117.6000110.8H38 I39 K72 K79H38-W75 CarbonylContact C-O 3.55Å; H38-W75 VanDerWaalsContact CA-O 3.28Å; H38-W75 WeakPolarHBondContact CA-O 3.35Å; I39-W75 WeakPolarHBondContact CG1-O 3.47Å; I39-W75 PolarHBondContact N-O 2.9Å; K72-W75 HydrophobicContact CB-CB 4.28Å; K72-W75 HydrophobicContact CB-CD2 3.91Å; K72-W75 HydrophobicContact CB-CE3 4.49Å; K72-W75 HydrophobicContact CB-CG 3.77Å; K72-W75 HydrophobicContact CD-CD2 3.66Å; K72-W75 HydrophobicContact CD-CE3 4.02Å; K72-W75 HydrophobicContact CD-CG 4.33Å; K72-W75 HydrophobicContact CD-CH2 3.75Å; K72-W75 HydrophobicContact CD-CZ2 3.33Å; K72-W75 HydrophobicContact CD-CZ3 4.06Å; K72-W75 HydrophobicContact CG-CD2 4.42Å; K72-W75 VanDerWaalsContact NZ-CH2 3.3Å; K72-W75 VanDerWaalsContact NZ-CZ2 3.26Å; K72-W75 WeakPolarHBondContact O-CB 3.44Å; K72-W75 PolarHBondContact O-N 2.72Å; W75-K79 HydrophobicContact CB-CD 4.25Å; W75-K79 HydrophobicContact CD2-CD 3.81Å; W75-K79 HydrophobicContact CD2-CG 4.19Å; W75-K79 VanDerWaalsContact CE2-CE 3.46Å; W75-K79 HydrophobicContact CE3-CD 4.28Å; W75-K79 HydrophobicContact CE3-CG 4.16Å; W75-K79 HydrophobicContact CG-CD 3.79Å; W75-K79 HydrophobicContact CG-CG 4.42Å
76T95.5Very high92.8Very high34 Ų3465.4 Ų65.421%0.20933%0.331CS..BIsolated β-bridgetrans-81.1159.5174.660.90000110.8G35 D36 L37 D78 K79 C80G35-T76 WeakPolarHBondContact O-CB 3.37Å; D36-T76 WeakPolarHBondContact O-CG2 3.44Å; L37-T76 CarbonylContact O-C 3.6Å; L37-T76 WeakPolarHBondContact O-CA 3.39Å; T76-D78 VanDerWaalsContact C-N 3.26Å; T76-D78 PolarHBondContact O-N 3.43Å; T76-K79 PolarHBondContact O-N 2.9Å; T76-K79 VanDerWaalsContact OG1-CB 3.31Å; T76-K79 WeakPolarHBondContact OG1-CB 3.43Å; T76-K79 PolarHBondContact OG1-N 2.85Å; T76-C80 PolarHBondContact O-N 2.77Å; T76-C80 VanDerWaalsContact O-N 3.11Å; T76-C80 PolarHBondContact O-SG 2.94Å
77L93.8Very high92.6Very high0 Ų060.4 Ų60.40%032%0.319CS..Hα-helixtrans-57.1-41.9174.8-64.9-177.2000111.1W12 L14 V33 G35 L37 I39 L42 K79 C80 G81 I82W12-L77 HydrophobicContact CH2-CD1 4Å; W12-L77 HydrophobicContact CZ2-CD1 3.92Å; L14-L77 HydrophobicContact CD2-CD1 4.42Å; V33-L77 HydrophobicContact CB-CD1 3.9Å; V33-L77 HydrophobicContact CG1-CD1 4.47Å; V33-L77 HydrophobicContact CG2-CD1 3.75Å; G35-L77 PolarHBondContact O-N 3.03Å; L37-L77 HydrophobicContact CB-CD1 4.23Å; L37-L77 HydrophobicContact CB-CG 4.43Å; L37-L77 HydrophobicContact CD2-CD1 4.48Å; L37-L77 WeakPolarHBondContact O-CG 3.42Å; L37-L77 PolarHBondContact O-N 2.95Å; I39-L77 HydrophobicContact CD1-CD2 3.75Å; L42-L77 HydrophobicContact CD2-CD2 4.03Å; L77-K79 PolarHBondContact O-N 3.36Å; L77-C80 CarbonylContact O-C 3.45Å; L77-C80 PolarHBondContact O-N 2.8Å; L77-C80 VanDerWaalsContact O-N 3.17Å; L77-G81 PolarHBondContact O-N 3.32Å; L77-I82 HydrophobicContact CB-CB 4.27Å; L77-I82 HydrophobicContact CD2-CB 4.3Å; L77-I82 HydrophobicContact CD2-CD1 3.72Å; L77-I82 HydrophobicContact CD2-CG2 4.35Å; L77-I82 PolarHBondContact O-N 2.89Å
78D92.6Very high92.7Very high83 Ų8356.9 Ų56.944%0.44430%0.304SS..Hα-helixtrans-63.9-41.3177-74.2-18.9000113G35 T76 C80 G81G35-D78 VanDerWaalsContact CA-OD1 3.23Å; G35-D78 WeakPolarHBondContact CA-OD1 3.18Å; G35-D78 VanDerWaalsContact CA-OD2 3.31Å; G35-D78 WeakPolarHBondContact CA-OD2 3.48Å; G35-D78 PolarHBondContact O-N 2.75Å; T76-D78 VanDerWaalsContact C-N 3.26Å; T76-D78 PolarHBondContact O-N 3.43Å; D78-C80 PolarHBondContact O-N 3.31Å; D78-G81 WeakPolarHBondContact O-CA 3.48Å; D78-G81 PolarHBondContact O-N 2.79Å
79K93.4Very high92.7Very high123 Ų12357.7 Ų57.754%0.53530%0.301SS..Hα-helixtrans-63.2-32176.8-175.1174.7-178.4-177.30111.6W75 T76 L77 G81W75-K79 HydrophobicContact CB-CD 4.25Å; W75-K79 HydrophobicContact CD2-CD 3.81Å; W75-K79 HydrophobicContact CD2-CG 4.19Å; W75-K79 VanDerWaalsContact CE2-CE 3.46Å; W75-K79 HydrophobicContact CE3-CD 4.28Å; W75-K79 HydrophobicContact CE3-CG 4.16Å; W75-K79 HydrophobicContact CG-CD 3.79Å; W75-K79 HydrophobicContact CG-CG 4.42Å; T76-K79 PolarHBondContact O-N 2.9Å; T76-K79 VanDerWaalsContact OG1-CB 3.31Å; T76-K79 WeakPolarHBondContact OG1-CB 3.43Å; T76-K79 PolarHBondContact OG1-N 2.85Å; L77-K79 PolarHBondContact O-N 3.36Å; K79-G81 VanDerWaalsContact C-N 3.29Å
80C90.4Very high92.6Very high27 Ų2756.8 Ų56.818%0.18230%0.298CS..Hα-helixtrans-80.6-11.8173.3-57.50000112.5W63 L70 T76 L77 D78 I82W63-C80 WeakPolarHBondContact CZ3-O 3.46Å; L70-C80 HydrophobicContact CD2-CB 4.23Å; T76-C80 PolarHBondContact O-N 2.77Å; T76-C80 VanDerWaalsContact O-N 3.11Å; T76-C80 PolarHBondContact O-SG 2.94Å; L77-C80 CarbonylContact O-C 3.45Å; L77-C80 PolarHBondContact O-N 2.8Å; L77-C80 VanDerWaalsContact O-N 3.17Å; D78-C80 PolarHBondContact O-N 3.31Å; C80-I82 VanDerWaalsContact C-N 3.34Å; C80-I82 HydrophobicContact CB-CD1 3.73Å; C80-I82 HydrophobicContact CB-CG1 3.8Å
81G92.2Very high92.5Very high29 Ų2956 Ų5630%0.29929%0.294SS..THydrogen-bonded Turntrans73.921.5-175.500000114.1W63 L77 D78 K79W63-G81 WeakPolarHBondContact CH2-O 3.49Å; L77-G81 PolarHBondContact O-N 3.32Å; D78-G81 WeakPolarHBondContact O-CA 3.48Å; D78-G81 PolarHBondContact O-N 2.79Å; K79-G81 VanDerWaalsContact C-N 3.29Å
82I92.8Very high92.4Very high1 Ų153.7 Ų53.71%0.00528%0.283CS..  trans-79.5126.5-178-60.2167.9000109.2W12 L14 I39 W63 L70 L77 C80 A86 L88W12-I82 HydrophobicContact CH2-CG2 4.09Å; L14-I82 HydrophobicContact CD1-CG2 4.06Å; I39-I82 HydrophobicContact CD1-CD1 3.82Å; W63-I82 HydrophobicContact CE3-CG1 3.92Å; W63-I82 HydrophobicContact CH2-CG1 4.02Å; W63-I82 HydrophobicContact CZ3-CG1 3.57Å; L70-I82 HydrophobicContact CD1-CD1 3.49Å; L70-I82 VanDerWaalsContact CD1-CD1 3.49Å; L70-I82 HydrophobicContact CD2-CD1 4.12Å; L70-I82 HydrophobicContact CG-CD1 4.46Å; L77-I82 HydrophobicContact CB-CB 4.27Å; L77-I82 HydrophobicContact CD2-CB 4.3Å; L77-I82 HydrophobicContact CD2-CD1 3.72Å; L77-I82 HydrophobicContact CD2-CG2 4.35Å; L77-I82 PolarHBondContact O-N 2.89Å; C80-I82 VanDerWaalsContact C-N 3.34Å; C80-I82 HydrophobicContact CB-CD1 3.73Å; C80-I82 HydrophobicContact CB-CG1 3.8Å; I82-A86 HydrophobicContact CG2-CB 3.64Å; I82-L88 HydrophobicContact CD1-CD1 4.47Å
83Q89.5Confident92.4Very high126 Ų12650.4 Ų50.459%0.58927%0.269SS*.  trans-122.4-178.2179.3-61.7-176.44.600111W12 D85 A86W12-Q83 VanDerWaalsContact CZ3-C 3.46Å; W12-Q83 WeakPolarHBondContact CZ3-O 3.37Å; Q83-D85 PolarHBondContact O-N 3.27Å; Q83-A86 VanDerWaalsContact O-CB 3.26Å; Q83-A86 WeakPolarHBondContact O-CB 3.13Å; Q83-A86 PolarHBondContact O-N 2.91Å; Q83-A86 VanDerWaalsContact O-N 3.08Å
84A88.1Confident92.4Very high60 Ų6050.2 Ų50.250%0.49626%0.263SS..THydrogen-bonded Turntrans-64-20-173.500000115.4W12W12-A84 HydrophobicContact CB-CB 4.27Å; W12-A84 HydrophobicContact CD2-CB 4.17Å; W12-A84 HydrophobicContact CE3-CB 3.69Å; W12-A84 HydrophobicContact CG-CB 4.44Å; W12-A84 HydrophobicContact CZ3-CB 4.33Å
85D88.8Confident92.3Very high118 Ų11844.6 Ų44.663%0.63124%0.237SC*.THydrogen-bonded Turntrans-89.6-5.3177.465.8-28.9000113.4Q65 Q83 V87Q65-D85 PolarHBondContact NE2-O 3.4Å; Q65-D85 VanDerWaalsContact NE2-O 3.09Å; Q83-D85 PolarHBondContact O-N 3.27Å; D85-V87 PolarHBondContact O-N 3.05Å
86A90.4Very high92.1Very high2 Ų242.7 Ų42.72%0.01723%0.233CC..  trans-64.6135.1176.800000111.1L14 W63 I82 Q83L14-A86 HydrophobicContact CD1-CB 4.05Å; W63-A86 HydrophobicContact CZ2-CB 4.07Å; I82-A86 HydrophobicContact CG2-CB 3.64Å; Q83-A86 VanDerWaalsContact O-CB 3.26Å; Q83-A86 WeakPolarHBondContact O-CB 3.13Å; Q83-A86 PolarHBondContact O-N 2.91Å; Q83-A86 VanDerWaalsContact O-N 3.08Å
87V88Confident92.1Very high60 Ų6041.1 Ų41.136%0.36422%0.224SC..EExtended strand (participates in β ladder)trans-112.8102.6175.5178.70000106.6Q65 D85Q65-V87 VanDerWaalsContact NE2-N 3.15Å; Q65-V87 PolarHBondContact OE1-O 3.19Å; D85-V87 PolarHBondContact O-N 3.05Å
88L93.8Very high92.2Very high1 Ų142.6 Ų42.61%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-95.4148.3179.8-56.2-176.1000110.3L14 S15 V16 Q17 L42 L61 W62 W63 L70 I82L14-L88 HydrophobicContact CD1-CD1 4.28Å; L14-L88 HydrophobicContact CD1-CG 4.34Å; L14-L88 HydrophobicContact CD2-CD1 3.86Å; L14-L88 HydrophobicContact CG-CD1 4.41Å; S15-L88 PolarHBondContact O-N 3.41Å; V16-L88 CarbonylContact C-O 3.53Å; V16-L88 WeakPolarHBondContact CA-O 3.41Å; V16-L88 HydrophobicContact CG1-CB 4.29Å; V16-L88 HydrophobicContact CG2-CB 4.3Å; Q17-L88 PolarHBondContact N-O 3.22Å; L42-L88 HydrophobicContact CD2-CD1 3.98Å; L61-L88 HydrophobicContact CD2-CB 4.24Å; L61-L88 HydrophobicContact CD2-CD1 4.38Å; W62-L88 CarbonylContact O-C 3.59Å; W62-L88 WeakPolarHBondContact O-CA 3.33Å; W63-L88 HydrophobicContact CB-CD2 3.75Å; W63-L88 HydrophobicContact CD2-CD2 4.28Å; W63-L88 HydrophobicContact CG-CD2 3.72Å; L70-L88 HydrophobicContact CD1-CD1 4.13Å; L70-L88 HydrophobicContact CD1-CD2 3.9Å; I82-L88 HydrophobicContact CD1-CD1 4.47Å
89R93.7Very high92.3Very high56 Ų5638.7 Ų38.721%0.21121%0.211CC..EExtended strand (participates in β ladder)trans-115.3130.4170.8-160.2-179.9-55-175.38.7109.2Q17 D19 L61 W62 E64Q17-R89 HydrophobicContact CB-CG 4.45Å; Q17-R89 CarbonylContact O-C 3.54Å; Q17-R89 VanDerWaalsContact O-CA 3.23Å; Q17-R89 WeakPolarHBondContact O-CA 3.46Å; D19-R89 WeakPolarHBondContact OD1-CD 3.19Å; D19-R89 WeakPolarHBondContact OD2-CD 3.41Å; L61-R89 CarbonylContact C-O 3.53Å; L61-R89 WeakPolarHBondContact CA-O 3.32Å; W62-R89 HydrophobicContact CB-CB 4.29Å; W62-R89 PolarHBondContact N-O 3.11Å; W62-R89 PolarHBondContact O-N 3.41Å; E64-R89 IonicContact OE2-CZ 3.06Å; E64-R89 IonicContact OE2-NH2 3.98Å; E64-R89 PolarHBondContact OE2-NH2 2.98Å
90Y93.8Very high92.4Very high5 Ų534 Ų342%0.0219%0.191CC..EExtended strand (participates in β ladder)trans-101.2106.9171.8-167.1-125.4000107.9Q17 V18 D19 M43 L46 V47 W56 H59 A60 L61Q17-Y90 PolarHBondContact O-N 3.01Å; V18-Y90 HydrophobicContact CG1-CD1 4.39Å; D19-Y90 PolarHBondContact N-O 3.31Å; M43-Y90 HydrophobicContact CE-CE2 3.97Å; M43-Y90 HydrophobicContact CG-CE2 4.03Å; L46-Y90 HydrophobicContact CD2-CD1 3.55Å; L46-Y90 HydrophobicContact CD2-CD2 4.13Å; L46-Y90 HydrophobicContact CD2-CE1 4.18Å; L46-Y90 HydrophobicContact CD2-CG 3.5Å; L46-Y90 HydrophobicContact CG-CD1 4.49Å; V47-Y90 HydrophobicContact CG2-CE1 4.27Å; W56-Y90 HydrophobicContact CD2-CE1 4.19Å; W56-Y90 HydrophobicContact CE3-CD1 4.07Å; W56-Y90 AromaticContact CE3-CE1 3.4Å; W56-Y90 HydrophobicContact CE3-CE1 3.4Å; W56-Y90 VanDerWaalsContact CE3-CE1 3.4Å; W56-Y90 AromaticContact CZ3-CD1 3.83Å; W56-Y90 HydrophobicContact CZ3-CD1 3.83Å; W56-Y90 AromaticContact CZ3-CE1 3.65Å; W56-Y90 HydrophobicContact CZ3-CE1 3.65Å; H59-Y90 HydrophobicContact CB-CD1 4.24Å; H59-Y90 HydrophobicContact CB-CD2 4.29Å; H59-Y90 HydrophobicContact CB-CE1 3.71Å; H59-Y90 HydrophobicContact CB-CE2 3.73Å; H59-Y90 VanDerWaalsContact CB-CZ 3.41Å; A60-Y90 WeakPolarHBondContact O-CA 3.22Å; A60-Y90 WeakPolarHBondContact O-CD2 3.09Å; L61-Y90 HydrophobicContact CD2-CD2 3.83Å; L61-Y90 HydrophobicContact CD2-CG 4.38Å; L61-Y90 HydrophobicContact CG-CD2 3.96Å
91T92.9Very high92.7Very high0 Ų032.8 Ų32.80%018%0.182CC..EExtended strand (participates in β ladder)trans-141.7150.8-165.7-165.20000110.1D19 H59 A60 W62 W69 K95D19-T91 WeakPolarHBondContact OD2-CB 3.24Å; D19-T91 PolarHBondContact OD2-OG1 2.67Å; H59-T91 WeakPolarHBondContact CA-O 3.42Å; A60-T91 PolarHBondContact N-O 2.73Å; A60-T91 PolarHBondContact O-N 2.83Å; W62-T91 HydrophobicContact CB-CG2 4.27Å; W69-T91 HydrophobicContact CH2-CG2 3.64Å; W69-T91 HydrophobicContact CZ3-CG2 3.9Å; T91-K95 PolarHBondContact OG1-NZ 2.96Å
92P92.6Very high92.9Very high28 Ų2831.5 Ų31.518%0.18217%0.168CC..EExtended strand (participates in β ladder)trans-56.4139.9173-23.332.8000111.8D58 K95D58-P92 CarbonylContact O-C 3.47Å; P92-K95 WeakPolarHBondContact O-CE 3.37Å
93Q94Very high92.8Very high39 Ų3931.6 Ų31.618%0.18217%0.169CC..SBendtrans-76.4-35.1173.5-69.6177.887.400110.9D58 A60 W69 F113 S114D58-Q93 WeakPolarHBondContact O-CB 3.41Å; D58-Q93 WeakPolarHBondContact O-CG 3.23Å; D58-Q93 PolarHBondContact O-N 3.13Å; D58-Q93 PolarHBondContact OD2-N 2.95Å; A60-Q93 HydrophobicContact CB-CG 3.62Å; W69-Q93 HydrophobicContact CH2-CG 4.33Å; W69-Q93 HydrophobicContact CZ3-CG 4.07Å; Q93-F113 WeakPolarHBondContact O-CB 3.23Å; Q93-F113 PolarHBondContact O-N 2.87Å; Q93-S114 PolarHBondContact OE1-OG 3.48Å
94H93.8Very high92.9Very high70 Ų7028.6 Ų28.632%0.32416%0.156SC..EExtended strand (participates in β ladder)trans-95.5122.4177.1-6679.7000110.8D58 T110 V111D58-H94 IonicContact OD1-CE1 3.48Å; D58-H94 IonicContact OD1-CG 2.86Å; D58-H94 IonicContact OD1-ND1 3.67Å; D58-H94 PolarHBondContact OD1-ND1 2.73Å; D58-H94 WeakPolarHBondContact OD2-CB 3.34Å; D58-H94 IonicContact OD2-CG 3.66Å; D58-H94 PolarHBondContact OD2-N 2.65Å; D58-H94 IonicContact OD2-ND1 2.66Å; H94-T110 HydrophobicContact CB-CG2 3.64Å; H94-V111 VanDerWaalsContact CA-O 3.3Å; H94-V111 WeakPolarHBondContact CA-O 3.47Å
95K92.8Very high92.9Very high7 Ų729.5 Ų29.53%0.0315%0.149CC..EExtended strand (participates in β ladder)trans-130.4149.5-175-69160.9164.8-68.70110.1T91 P92 T110 V111 F113 D252T91-K95 PolarHBondContact OG1-NZ 2.96Å; P92-K95 WeakPolarHBondContact O-CE 3.37Å; K95-T110 WeakPolarHBondContact O-CA 3.44Å; K95-V111 PolarHBondContact N-O 3.32Å; K95-V111 PolarHBondContact O-N 2.81Å; K95-F113 HydrophobicContact CB-CD1 4.42Å; K95-F113 HydrophobicContact CB-CD2 3.67Å; K95-F113 HydrophobicContact CB-CE1 4.36Å; K95-F113 HydrophobicContact CB-CE2 3.6Å; K95-F113 HydrophobicContact CB-CG 4.09Å; K95-F113 HydrophobicContact CB-CZ 3.97Å; K95-F113 HydrophobicContact CD-CB 3.96Å; K95-F113 HydrophobicContact CD-CD1 3.65Å; K95-F113 HydrophobicContact CD-CD2 4.15Å; K95-F113 HydrophobicContact CD-CE1 4.1Å; K95-F113 HydrophobicContact CD-CG 3.66Å; K95-F113 HydrophobicContact CG-CD2 4.4Å; K95-F113 HydrophobicContact CG-CG 4.38Å; K95-D252 WeakPolarHBondContact CD-OD1 3.44Å; K95-D252 WeakPolarHBondContact CE-OD1 3.37Å; K95-D252 WeakPolarHBondContact CG-OD2 3.24Å; K95-D252 IonicContact NZ-OD1 3.43Å; K95-D252 PolarHBondContact NZ-OD1 3.42Å; K95-D252 IonicContact NZ-OD2 3.51Å; K95-D252 PolarHBondContact NZ-OD2 2.8Å
96P92.4Very high93.1Very high27 Ų2724.3 Ų24.318%0.17512%0.121CC..EExtended strand (participates in β ladder)trans-67.4140.117630.5-34.9000110R108 M109 D253P96-R108 HydrophobicContact CB-CG 4.44Å; P96-M109 CarbonylContact C-O 3.43Å; P96-D253 WeakPolarHBondContact CB-OD1 3.09Å; P96-D253 WeakPolarHBondContact CG-OD1 3.25Å; P96-D253 PolarHBondContact O-N 2.8Å
97L93.7Very high93.1Very high1 Ų124.2 Ų24.21%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-135.4138.8177.7-174.676.5000108.8R108 M109 V111 F113 I250 D254 L256L97-R108 WeakPolarHBondContact O-CA 3.29Å; L97-M109 PolarHBondContact N-O 2.85Å; L97-M109 PolarHBondContact O-N 3.06Å; L97-V111 HydrophobicContact CB-CG2 3.73Å; L97-V111 HydrophobicContact CD2-CG2 3.84Å; L97-V111 HydrophobicContact CG-CG2 4.37Å; L97-F113 HydrophobicContact CB-CE2 4.4Å; L97-F113 HydrophobicContact CD1-CE2 4.49Å; L97-F113 HydrophobicContact CD1-CZ 4.1Å; L97-I250 HydrophobicContact CD1-CG2 3.95Å; L97-D254 HydrophobicContact CD1-CB 4.46Å; L97-D254 VanDerWaalsContact CD1-O 3.25Å; L97-D254 WeakPolarHBondContact CD1-O 3.2Å; L97-L256 HydrophobicContact CD1-CD1 3.93Å; L97-L256 HydrophobicContact CD1-CG 4.15Å; L97-L256 HydrophobicContact CD2-CB 4.42Å; L97-L256 HydrophobicContact CD2-CD1 3.92Å; L97-L256 HydrophobicContact CD2-CG 4.49Å; L97-L256 HydrophobicContact CG-CD1 4.49Å
98L95.8Very high93.3Very high31 Ų3125.8 Ų25.816%0.16212%0.12CC..EExtended strand (participates in β ladder)trans-88.5114.1171.9-62.9177.5000108.8T106 R108 I161 D253 D254 K255 L256L98-T106 HydrophobicContact CB-CG2 4.01Å; L98-R108 HydrophobicContact CD2-CB 3.86Å; L98-R108 HydrophobicContact CD2-CG 3.92Å; L98-I161 HydrophobicContact CD2-CD1 3.91Å; L98-I161 HydrophobicContact CD2-CG1 4.36Å; L98-D253 WeakPolarHBondContact CD1-O 3.5Å; L98-D254 PolarHBondContact N-O 3.31Å; L98-K255 HydrophobicContact CB-CB 4.25Å; L98-K255 CarbonylContact O-C 3.58Å; L98-K255 VanDerWaalsContact O-CA 3.3Å; L98-K255 WeakPolarHBondContact O-CA 2.85Å; L98-L256 PolarHBondContact O-N 3.23Å
99L95.6Very high93Very high2 Ų226 Ų261%0.0112%0.121CC..EExtended strand (participates in β ladder)trans-109.6113-177.7-166.567.4000110.2L101 T106 I107 I124 L128 L138 L256 L258L99-L101 HydrophobicContact CD2-CD2 4.08Å; L99-L101 HydrophobicContact CG-CD2 4.39Å; L99-L101 PolarHBondContact O-N 2.92Å; L99-T106 WeakPolarHBondContact O-CA 3.23Å; L99-I107 HydrophobicContact CB-CG1 4.04Å; L99-I107 PolarHBondContact N-O 3.28Å; L99-I107 PolarHBondContact O-N 3.12Å; L99-I124 HydrophobicContact CD2-CG2 3.57Å; L99-L128 HydrophobicContact CD2-CD1 4.41Å; L99-L138 HydrophobicContact CD1-CD2 3.55Å; L99-L256 WeakPolarHBondContact CA-O 3.23Å; L99-L256 HydrophobicContact CD1-CB 4.44Å; L99-L258 HydrophobicContact CD1-CB 3.84Å; L99-L258 HydrophobicContact CD2-CB 3.99Å; L99-L258 HydrophobicContact CD2-CD2 4.14Å; L99-L258 HydrophobicContact CG-CB 3.91Å
100Q95.9Very high92.9Very high24 Ų2427.6 Ų27.611%0.11214%0.137CC..EExtended strand (participates in β ladder)trans-83.4114.3169.2-171.2-178.773.400109.8M104 K105 L256 L257 L258 R259Q100-M104 PolarHBondContact NE2-O 3.36Å; Q100-K105 CarbonylContact C-O 3.5Å; Q100-K105 WeakPolarHBondContact CA-O 3.45Å; Q100-L256 PolarHBondContact N-O 3.11Å; Q100-L257 HydrophobicContact CB-CD2 3.67Å; Q100-L257 HydrophobicContact CG-CD2 4.29Å; Q100-L257 VanDerWaalsContact OE1-CD2 3.22Å; Q100-L258 PolarHBondContact O-N 3.46Å; Q100-R259 PolarHBondContact O-NH1 2.81Å
101L95.9Very high92.9Very high2 Ų227.5 Ų27.51%0.0114%0.137CC..  trans-72.6165.1178.1-60-178.6000111.7L99 N103 M104 K105 I107 L128 L207 L258 R259L99-L101 HydrophobicContact CD2-CD2 4.08Å; L99-L101 HydrophobicContact CG-CD2 4.39Å; L99-L101 PolarHBondContact O-N 2.92Å; L101-N103 WeakPolarHBondContact CB-OD1 3.03Å; L101-N103 PolarHBondContact O-N 2.93Å; L101-M104 PolarHBondContact O-N 3.15Å; L101-K105 PolarHBondContact N-O 3.27Å; L101-I107 HydrophobicContact CD1-CD1 4.24Å; L101-I107 HydrophobicContact CD1-CG2 4.2Å; L101-I107 HydrophobicContact CD2-CD1 4.07Å; L101-I107 HydrophobicContact CD2-CG1 4.43Å; L101-I107 HydrophobicContact CG-CD1 4.33Å; L101-I107 HydrophobicContact CG-CG1 4.38Å; L101-L128 HydrophobicContact CD2-CD1 3.75Å; L101-L207 HydrophobicContact CD1-CD2 3.48Å; L101-L207 VanDerWaalsContact CD1-CD2 3.48Å; L101-L258 HydrophobicContact CD2-CD2 4Å; L101-R259 PolarHBondContact O-NH1 2.82Å; L101-R259 VanDerWaalsContact O-NH1 3.15Å
102P96Very high93Very high1 Ų127.6 Ų27.61%0.00614%0.137CC..THydrogen-bonded Turntrans-56.2-28.1175.3-29.937.8000115.1M104 L258 F260 Q279 Q283 W286P102-M104 PolarHBondContact O-N 2.87Å; P102-L258 WeakPolarHBondContact CD-O 3.36Å; P102-L258 WeakPolarHBondContact CG-O 3.12Å; P102-F260 HydrophobicContact CG-CD2 4.37Å; P102-F260 HydrophobicContact CG-CE2 4.21Å; P102-Q279 HydrophobicContact CB-CB 4.26Å; P102-Q279 VanDerWaalsContact CB-O 3.25Å; P102-Q279 WeakPolarHBondContact CB-O 3.36Å; P102-Q279 HydrophobicContact CG-CB 4.15Å; P102-Q283 HydrophobicContact CB-CB 4Å; P102-W286 VanDerWaalsContact O-CD1 3.32Å
103N91.7Very high93.2Very high4 Ų426.2 Ų26.22%0.02113%0.129CC..THydrogen-bonded Turntrans-75.38.5172.872.83.7000115L101 K105 Q211 Q279 E282L101-N103 WeakPolarHBondContact CB-OD1 3.03Å; L101-N103 PolarHBondContact O-N 2.93Å; N103-K105 PolarHBondContact O-N 2.83Å; N103-K105 VanDerWaalsContact OD1-CB 3.32Å; N103-K105 WeakPolarHBondContact OD1-CB 3.46Å; N103-K105 PolarHBondContact OD1-N 2.76Å; N103-Q211 HydrophobicContact CB-CG 4.45Å; N103-Q279 PolarHBondContact ND2-NE2 3.45Å; N103-E282 HydrophobicContact CB-CB 3.91Å; N103-E282 HydrophobicContact CB-CG 3.78Å
104M90.5Very high93.2Very high63 Ų6324.9 Ų24.931%0.3112%0.123SC..SBendtrans70.10.1-179.6-59.6-71.1-76.900116Q100 L101 P102 W286Q100-M104 PolarHBondContact NE2-O 3.36Å; L101-M104 PolarHBondContact O-N 3.15Å; P102-M104 PolarHBondContact O-N 2.87Å; M104-W286 HydrophobicContact CB-CZ2 4.3Å; M104-W286 HydrophobicContact CG-CD2 3.83Å; M104-W286 VanDerWaalsContact CG-CE2 3.41Å; M104-W286 HydrophobicContact CG-CG 3.92Å; M104-W286 HydrophobicContact CG-CZ2 3.96Å
105K89.6Confident93.2Very high79 Ų7924.5 Ų24.534%0.34312%0.124SC..  trans-76.9143.5171.6-62.5-69.3-173.1172.50110.5Q100 L101 N103 W162 Q211Q100-K105 CarbonylContact C-O 3.5Å; Q100-K105 WeakPolarHBondContact CA-O 3.45Å; L101-K105 PolarHBondContact N-O 3.27Å; N103-K105 PolarHBondContact O-N 2.83Å; N103-K105 VanDerWaalsContact OD1-CB 3.32Å; N103-K105 WeakPolarHBondContact OD1-CB 3.46Å; N103-K105 PolarHBondContact OD1-N 2.76Å; K105-W162 HydrophobicContact CB-CB 4.41Å; K105-W162 HydrophobicContact CB-CD2 4.27Å; K105-W162 HydrophobicContact CB-CE3 3.54Å; K105-W162 HydrophobicContact CB-CZ3 4.16Å; K105-W162 HydrophobicContact CD-CE3 4.48Å; K105-W162 HydrophobicContact CG-CD2 4.28Å; K105-W162 HydrophobicContact CG-CE3 3.78Å; K105-W162 HydrophobicContact CG-CZ3 4.15Å; K105-Q211 VanDerWaalsContact CE-OE1 3.24Å
106T92.1Very high93.3Very high8 Ų828 Ų285%0.04914%0.141CC..EExtended strand (participates in β ladder)trans-105.3123176.6-52.10000109.1L98 L99 W162L98-T106 HydrophobicContact CB-CG2 4.01Å; L99-T106 WeakPolarHBondContact O-CA 3.23Å; T106-W162 PolarHBondContact O-N 2.86Å
107I91.3Very high93.5Very high0 Ų026.7 Ų26.70%013%0.133CC..EExtended strand (participates in β ladder)trans-108.7150.7173.763.4171.9000109.3L99 L101 M109 L128 W162 I164 W165L99-I107 HydrophobicContact CB-CG1 4.04Å; L99-I107 PolarHBondContact N-O 3.28Å; L99-I107 PolarHBondContact O-N 3.12Å; L101-I107 HydrophobicContact CD1-CD1 4.24Å; L101-I107 HydrophobicContact CD1-CG2 4.2Å; L101-I107 HydrophobicContact CD2-CD1 4.07Å; L101-I107 HydrophobicContact CD2-CG1 4.43Å; L101-I107 HydrophobicContact CG-CD1 4.33Å; L101-I107 HydrophobicContact CG-CG1 4.38Å; I107-M109 HydrophobicContact CD1-CE 3.51Å; I107-L128 HydrophobicContact CD1-CD2 3.77Å; I107-W162 HydrophobicContact CG2-CB 4.42Å; I107-W162 HydrophobicContact CG2-CE3 4.15Å; I107-I164 HydrophobicContact CG2-CG2 4.1Å; I107-W165 HydrophobicContact CD1-CZ2 4.37Å
108R90.9Very high93.6Very high93 Ų9327.4 Ų27.435%0.35114%0.136SC..EExtended strand (participates in β ladder)trans-98.4121.4170.1-170.3177.3-168.4-1673.3108.7P96 L97 L98 I161 W165 D253P96-R108 HydrophobicContact CB-CG 4.44Å; L97-R108 WeakPolarHBondContact O-CA 3.29Å; L98-R108 HydrophobicContact CD2-CB 3.86Å; L98-R108 HydrophobicContact CD2-CG 3.92Å; R108-I161 HydrophobicContact CB-CG2 4.12Å; R108-W165 PolarHBondContact O-NE1 3.14Å; R108-D253 IonicContact CZ-OD1 2.57Å; R108-D253 IonicContact NE-OD1 2.68Å; R108-D253 PolarHBondContact NE-OD1 3.48Å; R108-D253 IonicContact NH2-OD1 3.95Å; R108-D253 PolarHBondContact NH2-OD1 3.43Å; R108-D253 IonicContact NH2-OD2 2.75Å; R108-D253 PolarHBondContact NH2-OD2 3.46Å
109M88.9Confident93.5Very high7 Ų728.9 Ų28.93%0.03414%0.141CC..EExtended strand (participates in β ladder)trans-130.8142.2-178.6-168.1-178.8-52.500110.4P96 L97 I107 V111 I124 I127 L128 W165P96-M109 CarbonylContact C-O 3.43Å; L97-M109 PolarHBondContact N-O 2.85Å; L97-M109 PolarHBondContact O-N 3.06Å; I107-M109 HydrophobicContact CD1-CE 3.51Å; M109-V111 HydrophobicContact CB-CG1 4.25Å; M109-V111 HydrophobicContact CG-CG1 4.05Å; M109-V111 HydrophobicContact SD-CG1 4.1Å; M109-I124 HydrophobicContact CE-CG2 4.29Å; M109-I124 HydrophobicContact SD-CB 4.48Å; M109-I124 HydrophobicContact SD-CG1 4.08Å; M109-I124 HydrophobicContact SD-CG2 4.38Å; M109-I127 HydrophobicContact CE-CG2 4.42Å; M109-I127 HydrophobicContact SD-CD1 4.15Å; M109-I127 HydrophobicContact SD-CG2 4.36Å; M109-L128 HydrophobicContact CE-CD1 4.2Å; M109-L128 HydrophobicContact CE-CD2 3.77Å; M109-L128 HydrophobicContact CE-CG 3.95Å; M109-W165 HydrophobicContact CB-CZ2 3.99Å; M109-W165 HydrophobicContact CE-CH2 3.62Å; M109-W165 HydrophobicContact CE-CZ2 3.89Å; M109-W165 HydrophobicContact CG-CH2 4.15Å; M109-W165 HydrophobicContact CG-CZ2 3.85Å; M109-W165 HydrophobicContact SD-CH2 4.35Å
110T90.3Very high93.5Very high89 Ų8928.8 Ų28.855%0.54614%0.141SC..EExtended strand (participates in β ladder)trans-83.5121.7169.8-62.60000109.1H94 K95H94-T110 HydrophobicContact CB-CG2 3.64Å; K95-T110 WeakPolarHBondContact O-CA 3.44Å
111V93.9Very high93.6Very high3 Ų327.8 Ų27.82%0.01814%0.136CC..EExtended strand (participates in β ladder)trans-130.4156.9-176.1-56.70000110.8H94 K95 L97 M109 F113 I124 L245H94-V111 VanDerWaalsContact CA-O 3.3Å; H94-V111 WeakPolarHBondContact CA-O 3.47Å; K95-V111 PolarHBondContact N-O 3.32Å; K95-V111 PolarHBondContact O-N 2.81Å; L97-V111 HydrophobicContact CB-CG2 3.73Å; L97-V111 HydrophobicContact CD2-CG2 3.84Å; L97-V111 HydrophobicContact CG-CG2 4.37Å; M109-V111 HydrophobicContact CB-CG1 4.25Å; M109-V111 HydrophobicContact CG-CG1 4.05Å; M109-V111 HydrophobicContact SD-CG1 4.1Å; V111-F113 HydrophobicContact CG2-CD2 3.93Å; V111-F113 HydrophobicContact CG2-CE2 3.62Å; V111-F113 PolarHBondContact O-N 3.44Å; V111-I124 HydrophobicContact CG1-CD1 3.85Å; V111-I124 HydrophobicContact CG1-CG1 3.71Å; V111-L245 HydrophobicContact CG2-CD1 3.81Å
112S95Very high93.4Very high1 Ų130.7 Ų30.71%0.00715%0.149CC..EExtended strand (participates in β ladder)trans-73.8122.8175.91790000111.6S114 N115S112-S114 PolarHBondContact OG-N 2.92Å; S112-S114 PolarHBondContact OG-OG 2.87Å; S112-N115 WeakPolarHBondContact OG-CB 3.34Å; S112-N115 VanDerWaalsContact OG-CG 3.27Å; S112-N115 PolarHBondContact OG-N 3.39Å; S112-N115 VanDerWaalsContact OG-N 3.08Å; S112-N115 PolarHBondContact OG-ND2 3.2Å
113F96.3Very high93.2Very high0 Ų032.8 Ų32.80%016%0.159CC..SBendtrans-93.9-4.7173.8-84.2-129.6000112.7W69 Q93 K95 L97 V111 S244 L245 M246 I250W69-F113 HydrophobicContact CZ2-CB 4.27Å; W69-F113 PolarHBondContact NE1-O 2.72Å; Q93-F113 WeakPolarHBondContact O-CB 3.23Å; Q93-F113 PolarHBondContact O-N 2.87Å; K95-F113 HydrophobicContact CB-CD1 4.42Å; K95-F113 HydrophobicContact CB-CD2 3.67Å; K95-F113 HydrophobicContact CB-CE1 4.36Å; K95-F113 HydrophobicContact CB-CE2 3.6Å; K95-F113 HydrophobicContact CB-CG 4.09Å; K95-F113 HydrophobicContact CB-CZ 3.97Å; K95-F113 HydrophobicContact CD-CB 3.96Å; K95-F113 HydrophobicContact CD-CD1 3.65Å; K95-F113 HydrophobicContact CD-CD2 4.15Å; K95-F113 HydrophobicContact CD-CE1 4.1Å; K95-F113 HydrophobicContact CD-CG 3.66Å; K95-F113 HydrophobicContact CG-CD2 4.4Å; K95-F113 HydrophobicContact CG-CG 4.38Å; L97-F113 HydrophobicContact CB-CE2 4.4Å; L97-F113 HydrophobicContact CD1-CE2 4.49Å; L97-F113 HydrophobicContact CD1-CZ 4.1Å; V111-F113 HydrophobicContact CG2-CD2 3.93Å; V111-F113 HydrophobicContact CG2-CE2 3.62Å; V111-F113 PolarHBondContact O-N 3.44Å; F113-S244 VanDerWaalsContact O-CB 3.3Å; F113-S244 WeakPolarHBondContact O-CB 3.24Å; F113-S244 PolarHBondContact O-OG 2.77Å; F113-L245 HydrophobicContact CB-CB 4.39Å; F113-L245 HydrophobicContact CD1-CB 3.95Å; F113-L245 HydrophobicContact CD2-CB 4.38Å; F113-L245 HydrophobicContact CD2-CD1 3.71Å; F113-L245 HydrophobicContact CE1-CB 4.35Å; F113-L245 HydrophobicContact CE2-CD1 3.81Å; F113-L245 HydrophobicContact CG-CB 3.97Å; F113-L245 HydrophobicContact CG-CD1 4.16Å; F113-L245 HydrophobicContact CZ-CD1 4.33Å; F113-M246 HydrophobicContact CD1-SD 4.24Å; F113-I250 HydrophobicContact CE1-CB 4.34Å; F113-I250 HydrophobicContact CE1-CG2 3.91Å; F113-I250 WeakPolarHBondContact CE1-O 3.14Å; F113-I250 HydrophobicContact CZ-CG2 4.07Å
114S95.3Very high93.2Very high10 Ų1032.6 Ų32.67%0.0716%0.158CC..SBendtrans-100-28177.165.30000113.5Q93 S112Q93-S114 PolarHBondContact OE1-OG 3.48Å; S112-S114 PolarHBondContact OG-N 2.92Å; S112-S114 PolarHBondContact OG-OG 2.87Å
115N94.4Very high93.3Very high63 Ų6329.6 Ų29.634%0.33714%0.144SC..SBendtrans-69.4151.3171.9-72.9-16.8000110.7S112 K119 S244S112-N115 WeakPolarHBondContact OG-CB 3.34Å; S112-N115 VanDerWaalsContact OG-CG 3.27Å; S112-N115 PolarHBondContact OG-N 3.39Å; S112-N115 VanDerWaalsContact OG-N 3.08Å; S112-N115 PolarHBondContact OG-ND2 3.2Å; N115-K119 HydrophobicContact CB-CB 4.23Å; N115-S244 VanDerWaalsContact O-CA 3.28Å; N115-S244 WeakPolarHBondContact O-CA 3.45Å; N115-S244 WeakPolarHBondContact O-CB 3.46Å
116M94.7Very high93.2Very high79 Ų7930 Ų3039%0.38914%0.143SC..BIsolated β-bridgetrans-57144.7167.4-65.8176.6173.600109.9F118 K119 A120 S242 L659M116-F118 PolarHBondContact O-N 3.18Å; M116-F118 VanDerWaalsContact O-N 3.14Å; M116-K119 PolarHBondContact O-N 3.21Å; M116-A120 PolarHBondContact O-N 3.08Å; M116-S242 WeakPolarHBondContact CG-O 3.42Å; M116-L659 HydrophobicContact SD-CD1 4Å; M116-L659 HydrophobicContact SD-CD2 3.73Å
117V96.8Very high92.8Very high0 Ų032.5 Ų32.50%016%0.156CC..Hα-helixtrans-54.8-36.2-178.3162.70000111.8K119 A120 V121 L138 L239 S241 R243 L245V117-K119 VanDerWaalsContact C-N 3.32Å; V117-K119 PolarHBondContact O-N 3.29Å; V117-A120 PolarHBondContact O-N 3.21Å; V117-V121 HydrophobicContact CG1-CG2 4.11Å; V117-V121 WeakPolarHBondContact O-CB 3.34Å; V117-V121 VanDerWaalsContact O-CG2 3.25Å; V117-V121 WeakPolarHBondContact O-CG2 3.49Å; V117-V121 PolarHBondContact O-N 3.26Å; V117-L138 HydrophobicContact CG1-CD1 4.33Å; V117-L239 HydrophobicContact CG1-CB 4.22Å; V117-L239 HydrophobicContact CG2-CB 4.36Å; V117-L239 HydrophobicContact CG2-CD1 4.19Å; V117-S241 PolarHBondContact N-O 2.66Å; V117-R243 WeakPolarHBondContact CG2-O 3.49Å; V117-R243 PolarHBondContact N-O 2.79Å; V117-L245 HydrophobicContact CG2-CD2 3.7Å; V117-L245 HydrophobicContact CG2-CG 4.13Å
118F95.4Very high92.5Very high16 Ų1632.6 Ų32.67%0.0716%0.156CC..Hα-helixtrans-53.9-47.5174.1-170.3-112.7000112.6M116 V121 E122 E134 S241 D655 F658M116-F118 PolarHBondContact O-N 3.18Å; M116-F118 VanDerWaalsContact O-N 3.14Å; F118-V121 PolarHBondContact O-N 3.1Å; F118-E122 PolarHBondContact O-N 3.47Å; F118-E134 HydrophobicContact CE2-CB 4.13Å; F118-E134 HydrophobicContact CZ-CB 4.25Å; F118-S241 WeakPolarHBondContact CB-O 2.98Å; F118-S241 PolarHBondContact N-O 3.12Å; F118-D655 WeakPolarHBondContact CE1-OD1 3.19Å; F118-F658 HydrophobicContact CB-CD1 4.5Å; F118-F658 HydrophobicContact CB-CE1 4.09Å; F118-F658 HydrophobicContact CD1-CD1 4.02Å; F118-F658 HydrophobicContact CD1-CE1 4.36Å; F118-F658 AromaticContact CD2-CD1 3.73Å; F118-F658 HydrophobicContact CD2-CD1 3.73Å; F118-F658 AromaticContact CD2-CE1 3.37Å; F118-F658 HydrophobicContact CD2-CE1 3.37Å; F118-F658 HydrophobicContact CD2-CE2 4.21Å; F118-F658 HydrophobicContact CD2-CG 4.3Å; F118-F658 AromaticContact CD2-CZ 3.63Å; F118-F658 HydrophobicContact CD2-CZ 3.63Å; F118-F658 HydrophobicContact CE1-CB 4.5Å; F118-F658 HydrophobicContact CE1-CD1 4.13Å; F118-F658 HydrophobicContact CE1-CG 4.32Å; F118-F658 AromaticContact CE2-CD1 3.85Å; F118-F658 HydrophobicContact CE2-CD1 3.85Å; F118-F658 AromaticContact CE2-CD2 3.98Å; F118-F658 HydrophobicContact CE2-CD2 3.98Å; F118-F658 AromaticContact CE2-CE1 3.81Å; F118-F658 HydrophobicContact CE2-CE1 3.81Å; F118-F658 AromaticContact CE2-CE2 3.93Å; F118-F658 HydrophobicContact CE2-CE2 3.93Å; F118-F658 AromaticContact CE2-CG 3.94Å; F118-F658 HydrophobicContact CE2-CG 3.94Å; F118-F658 AromaticContact CE2-CZ 3.85Å; F118-F658 HydrophobicContact CE2-CZ 3.85Å; F118-F658 AromaticContact CG-CD1 3.82Å; F118-F658 HydrophobicContact CG-CD1 3.82Å; F118-F658 AromaticContact CG-CE1 3.68Å; F118-F658 HydrophobicContact CG-CE1 3.68Å; F118-F658 HydrophobicContact CG-CZ 4.4Å; F118-F658 HydrophobicContact CZ-CB 4.34Å; F118-F658 HydrophobicContact CZ-CD1 4.05Å; F118-F658 HydrophobicContact CZ-CD2 4.28Å; F118-F658 HydrophobicContact CZ-CE1 4.46Å; F118-F658 AromaticContact CZ-CG 3.95Å; F118-F658 HydrophobicContact CZ-CG 3.95Å
119K94.1Very high92.1Very high62 Ų6229.7 Ų29.727%0.2715%0.147SC..Hα-helixtrans-73.2-36.6178.4-71.4-52.3-162.5-174.30113.1N115 M116 V117 V121 E122 E123 D655N115-K119 HydrophobicContact CB-CB 4.23Å; M116-K119 PolarHBondContact O-N 3.21Å; V117-K119 VanDerWaalsContact C-N 3.32Å; V117-K119 PolarHBondContact O-N 3.29Å; K119-V121 VanDerWaalsContact C-N 3.31Å; K119-V121 PolarHBondContact O-N 2.92Å; K119-E122 WeakPolarHBondContact CD-OE2 3.12Å; K119-E122 WeakPolarHBondContact CE-OE2 3.48Å; K119-E122 IonicContact NZ-OE1 2.83Å; K119-E122 IonicContact NZ-OE2 2.84Å; K119-E122 PolarHBondContact NZ-OE2 2.9Å; K119-E122 WeakPolarHBondContact O-CB 3.43Å; K119-E122 PolarHBondContact O-N 3.47Å; K119-E123 PolarHBondContact O-N 3.27Å; K119-D655 VanDerWaalsContact CE-CG 3.48Å; K119-D655 WeakPolarHBondContact CE-OD2 3.34Å; K119-D655 IonicContact NZ-OD1 2.69Å; K119-D655 PolarHBondContact NZ-OD1 3.09Å; K119-D655 IonicContact NZ-OD2 2.71Å; K119-D655 PolarHBondContact NZ-OD2 2.88Å
120A95.4Very high92Very high1 Ų129.8 Ų29.81%0.00815%0.148CC..Hα-helixtrans-62.2-40.7173.100000111.1M116 V117 E123 I124M116-A120 PolarHBondContact O-N 3.08Å; V117-A120 PolarHBondContact O-N 3.21Å; A120-E123 PolarHBondContact O-N 3.37Å; A120-I124 WeakPolarHBondContact O-CD1 3.33Å; A120-I124 WeakPolarHBondContact O-CG1 3.45Å; A120-I124 PolarHBondContact O-N 3.35Å
121V96.8Very high91.9Very high3 Ų327 Ų272%0.01813%0.127CC..Hα-helixtrans-66.6-41.5175.5171.60000111.4V117 F118 K119 E123 I124 C125 L136 L138V117-V121 HydrophobicContact CG1-CG2 4.11Å; V117-V121 WeakPolarHBondContact O-CB 3.34Å; V117-V121 VanDerWaalsContact O-CG2 3.25Å; V117-V121 WeakPolarHBondContact O-CG2 3.49Å; V117-V121 PolarHBondContact O-N 3.26Å; F118-V121 PolarHBondContact O-N 3.1Å; K119-V121 VanDerWaalsContact C-N 3.31Å; K119-V121 PolarHBondContact O-N 2.92Å; V121-E123 VanDerWaalsContact C-N 3.29Å; V121-E123 PolarHBondContact O-N 3.33Å; V121-I124 PolarHBondContact O-N 2.92Å; V121-C125 VanDerWaalsContact O-CB 3.29Å; V121-C125 WeakPolarHBondContact O-CB 3.34Å; V121-C125 PolarHBondContact O-N 2.99Å; V121-C125 PolarHBondContact O-SG 2.98Å; V121-C125 VanDerWaalsContact O-SG 3.4Å; V121-L136 HydrophobicContact CG1-CB 4.23Å; V121-L138 HydrophobicContact CG2-CD1 4.18Å; V121-L138 HydrophobicContact CG2-CD2 4.39Å; V121-L138 HydrophobicContact CG2-CG 3.74Å
122E92.9Very high91.8Very high62 Ų6228.4 Ų28.429%0.2913%0.132SC..Hα-helixtrans-55.8-45.5173.2-173.5-172.2173.400111.7F118 K119 R126F118-E122 PolarHBondContact O-N 3.47Å; K119-E122 WeakPolarHBondContact CD-OE2 3.12Å; K119-E122 WeakPolarHBondContact CE-OE2 3.48Å; K119-E122 IonicContact NZ-OE1 2.83Å; K119-E122 IonicContact NZ-OE2 2.84Å; K119-E122 PolarHBondContact NZ-OE2 2.9Å; K119-E122 WeakPolarHBondContact O-CB 3.43Å; K119-E122 PolarHBondContact O-N 3.47Å; E122-R126 VanDerWaalsContact O-CB 3.24Å; E122-R126 WeakPolarHBondContact O-CB 3.31Å; E122-R126 PolarHBondContact O-N 3.32Å
123E90.1Very high91.7Very high46 Ų4628.8 Ų28.822%0.21514%0.135CC..Hα-helixtrans-64.2-46.1175.7170.8149.4-117.900113.2K119 A120 V121 C125 R126 I127K119-E123 PolarHBondContact O-N 3.27Å; A120-E123 PolarHBondContact O-N 3.37Å; V121-E123 VanDerWaalsContact C-N 3.29Å; V121-E123 PolarHBondContact O-N 3.33Å; E123-C125 PolarHBondContact O-N 3.33Å; E123-R126 VanDerWaalsContact CB-NH2 3.26Å; E123-R126 VanDerWaalsContact CD-NH2 3.31Å; E123-R126 PolarHBondContact O-N 3.33Å; E123-R126 IonicContact OE1-CZ 3.85Å; E123-R126 IonicContact OE1-NH1 3.86Å; E123-R126 IonicContact OE1-NH2 2.9Å; E123-R126 PolarHBondContact OE1-NH2 3.1Å; E123-I127 HydrophobicContact CG-CD1 3.95Å; E123-I127 WeakPolarHBondContact O-CG1 3.36Å; E123-I127 PolarHBondContact O-N 3.31Å
124I92.4Very high91.5Very high0 Ų029 Ų290%014%0.136CC..Hα-helixtrans-58-50.3176-70.6163.2000110.2L99 M109 V111 A120 V121 R126 I127 L128 L138 L258L99-I124 HydrophobicContact CD2-CG2 3.57Å; M109-I124 HydrophobicContact CE-CG2 4.29Å; M109-I124 HydrophobicContact SD-CB 4.48Å; M109-I124 HydrophobicContact SD-CG1 4.08Å; M109-I124 HydrophobicContact SD-CG2 4.38Å; V111-I124 HydrophobicContact CG1-CD1 3.85Å; V111-I124 HydrophobicContact CG1-CG1 3.71Å; A120-I124 WeakPolarHBondContact O-CD1 3.33Å; A120-I124 WeakPolarHBondContact O-CG1 3.45Å; A120-I124 PolarHBondContact O-N 3.35Å; V121-I124 PolarHBondContact O-N 2.92Å; I124-R126 VanDerWaalsContact C-N 3.34Å; I124-R126 PolarHBondContact O-N 3.05Å; I124-I127 PolarHBondContact O-N 2.88Å; I124-L128 HydrophobicContact CG2-CD1 3.73Å; I124-L128 HydrophobicContact CG2-CG 4.44Å; I124-L128 WeakPolarHBondContact O-CB 3.41Å; I124-L128 VanDerWaalsContact O-CG 3.27Å; I124-L128 WeakPolarHBondContact O-CG 3.33Å; I124-L128 PolarHBondContact O-N 3.38Å; I124-L138 HydrophobicContact CD1-CD1 4.41Å; I124-L138 HydrophobicContact CD1-CD2 4.39Å; I124-L258 HydrophobicContact CG2-CD2 4.22Å
125C92.6Very high91.6Very high0 Ų028.6 Ų28.60%013%0.133CC..Hα-helixtrans-62.2-40.7179.8-770000111.9V121 E123 L128 N129 I130V121-C125 VanDerWaalsContact O-CB 3.29Å; V121-C125 WeakPolarHBondContact O-CB 3.34Å; V121-C125 PolarHBondContact O-N 2.99Å; V121-C125 PolarHBondContact O-SG 2.98Å; V121-C125 VanDerWaalsContact O-SG 3.4Å; E123-C125 PolarHBondContact O-N 3.33Å; C125-L128 CarbonylContact O-C 3.6Å; C125-L128 PolarHBondContact O-N 3.06Å; C125-N129 PolarHBondContact O-N 3.38Å; C125-I130 HydrophobicContact CB-CB 4.13Å; C125-I130 WeakPolarHBondContact CB-O 3.41Å; C125-I130 PolarHBondContact O-N 3.39Å
126R86.7Confident91.7Very high86 Ų8625.9 Ų25.933%0.32512%0.119SC..Hα-helixtrans-60.2-45.1174.2173.6174.943.774.2-6.8111.9E122 E123 I124 L128 N129E122-R126 VanDerWaalsContact O-CB 3.24Å; E122-R126 WeakPolarHBondContact O-CB 3.31Å; E122-R126 PolarHBondContact O-N 3.32Å; E123-R126 VanDerWaalsContact CB-NH2 3.26Å; E123-R126 VanDerWaalsContact CD-NH2 3.31Å; E123-R126 PolarHBondContact O-N 3.33Å; E123-R126 IonicContact OE1-CZ 3.85Å; E123-R126 IonicContact OE1-NH1 3.86Å; E123-R126 IonicContact OE1-NH2 2.9Å; E123-R126 PolarHBondContact OE1-NH2 3.1Å; I124-R126 VanDerWaalsContact C-N 3.34Å; I124-R126 PolarHBondContact O-N 3.05Å; R126-L128 VanDerWaalsContact C-N 3.31Å; R126-L128 PolarHBondContact O-N 3.29Å; R126-N129 PolarHBondContact O-N 3.43Å
127I84.3Confident91.9Very high62 Ų6222.2 Ų22.232%0.31810%0.101SC..Hα-helixtrans-64-38.2176.6-67.9165.3000111.2M109 E123 I124 N129 W165M109-I127 HydrophobicContact CE-CG2 4.42Å; M109-I127 HydrophobicContact SD-CD1 4.15Å; M109-I127 HydrophobicContact SD-CG2 4.36Å; E123-I127 HydrophobicContact CG-CD1 3.95Å; E123-I127 WeakPolarHBondContact O-CG1 3.36Å; E123-I127 PolarHBondContact O-N 3.31Å; I124-I127 PolarHBondContact O-N 2.88Å; I127-N129 VanDerWaalsContact C-N 3.28Å; I127-N129 PolarHBondContact O-N 3.04Å; I127-W165 HydrophobicContact CG2-CH2 3.83Å; I127-W165 HydrophobicContact CG2-CZ3 3.86Å
128L85.4Confident92Very high1 Ų122.2 Ų22.21%0.00510%0.101CC..THydrogen-bonded Turntrans-82.81.5-179.9-62.3174.6000113.9L99 L101 I107 M109 I124 C125 R126 I130 L207 L258 V275L99-L128 HydrophobicContact CD2-CD1 4.41Å; L101-L128 HydrophobicContact CD2-CD1 3.75Å; I107-L128 HydrophobicContact CD1-CD2 3.77Å; M109-L128 HydrophobicContact CE-CD1 4.2Å; M109-L128 HydrophobicContact CE-CD2 3.77Å; M109-L128 HydrophobicContact CE-CG 3.95Å; I124-L128 HydrophobicContact CG2-CD1 3.73Å; I124-L128 HydrophobicContact CG2-CG 4.44Å; I124-L128 WeakPolarHBondContact O-CB 3.41Å; I124-L128 VanDerWaalsContact O-CG 3.27Å; I124-L128 WeakPolarHBondContact O-CG 3.33Å; I124-L128 PolarHBondContact O-N 3.38Å; C125-L128 CarbonylContact O-C 3.6Å; C125-L128 PolarHBondContact O-N 3.06Å; R126-L128 VanDerWaalsContact C-N 3.31Å; R126-L128 PolarHBondContact O-N 3.29Å; L128-I130 HydrophobicContact CB-CD1 4.02Å; L128-I130 HydrophobicContact CB-CG1 4.16Å; L128-I130 HydrophobicContact CD1-CD1 4.38Å; L128-L207 HydrophobicContact CB-CD1 4.13Å; L128-L207 HydrophobicContact CD2-CD1 3.59Å; L128-L207 HydrophobicContact CG-CD1 4.44Å; L128-L258 HydrophobicContact CD1-CD2 3.8Å; L128-V275 WeakPolarHBondContact O-CG1 3.47Å
129N81.9Confident92.1Very high32 Ų3222.3 Ų22.317%0.17110%0.102CC..THydrogen-bonded Turntrans56.145.1-174.3-164.737.5000113.8C125 R126 I127 Y187 V275C125-N129 PolarHBondContact O-N 3.38Å; R126-N129 PolarHBondContact O-N 3.43Å; I127-N129 VanDerWaalsContact C-N 3.28Å; I127-N129 PolarHBondContact O-N 3.04Å; N129-Y187 PolarHBondContact OD1-OH 2.85Å; N129-V275 HydrophobicContact CB-CG2 4.48Å
130I88.2Confident92.1Very high9 Ų923.3 Ų23.35%0.04611%0.106CC..  trans-108.5109.6174.6-61.8173.3000108.1C125 L128 L136 L258 V275 R276 Q279C125-I130 HydrophobicContact CB-CB 4.13Å; C125-I130 WeakPolarHBondContact CB-O 3.41Å; C125-I130 PolarHBondContact O-N 3.39Å; L128-I130 HydrophobicContact CB-CD1 4.02Å; L128-I130 HydrophobicContact CB-CG1 4.16Å; L128-I130 HydrophobicContact CD1-CD1 4.38Å; I130-L136 HydrophobicContact CD1-CD2 4.46Å; I130-L136 HydrophobicContact CG2-CD1 3.85Å; I130-L136 HydrophobicContact CG2-CD2 4.21Å; I130-L258 HydrophobicContact CD1-CD2 4.46Å; I130-V275 HydrophobicContact CD1-CG1 4.48Å; I130-V275 HydrophobicContact CG1-CG1 3.89Å; I130-R276 HydrophobicContact CG2-CB 4.09Å; I130-R276 HydrophobicContact CG2-CG 4.12Å; I130-Q279 HydrophobicContact CD1-CG 4.41Å
131R88.3Confident91.8Very high31 Ų3125.7 Ų25.712%0.11712%0.122CC..SBendtrans-68.6164.2171.1-60.8-163.6-53.3142.13.4111.2D267 D273 R276R131-D267 IonicContact CZ-OD2 3.94Å; R131-D267 IonicContact NH1-OD2 3.88Å; R131-D267 PolarHBondContact NH2-O 3.31Å; R131-D267 IonicContact NH2-OD2 3.55Å; R131-D267 PolarHBondContact NH2-OD2 3.02Å; R131-D267 VanDerWaalsContact NH2-OD2 3.12Å; R131-D273 IonicContact CZ-OD1 3.83Å; R131-D273 IonicContact CZ-OD2 3.79Å; R131-D273 IonicContact NE-OD1 3.67Å; R131-D273 PolarHBondContact NE-OD1 2.95Å; R131-D273 IonicContact NE-OD2 3.54Å; R131-D273 IonicContact NH2-OD1 3.12Å; R131-D273 PolarHBondContact NH2-OD1 3.47Å; R131-D273 IonicContact NH2-OD2 2.73Å; R131-D273 PolarHBondContact NH2-OD2 2.98Å; R131-R276 WeakPolarHBondContact O-CD 3.43Å; R131-R276 PolarHBondContact O-NE 2.94Å
132R89.9Confident91.1Very high32 Ų3229.1 Ų29.112%0.12114%0.144CC..  trans5656.3176.6-53.5-62.1-178.2-157.7-4.3112.5E134 E135 E651R132-E134 WeakPolarHBondContact CA-OE2 3.28Å; R132-E134 WeakPolarHBondContact CD-OE1 3.44Å; R132-E134 PolarHBondContact O-N 3.47Å; R132-E134 VanDerWaalsContact O-N 3.12Å; R132-E135 HydrophobicContact CB-CG 4.37Å; R132-E135 PolarHBondContact O-N 3.09Å; R132-E135 VanDerWaalsContact O-N 3.16Å; R132-E651 IonicContact CZ-OE1 2.61Å; R132-E651 IonicContact NH2-OE1 3.97Å; R132-E651 PolarHBondContact NH2-OE1 2.8Å; R132-E651 IonicContact NH2-OE2 3.82Å
133S93.4Very high89.8Confident10 Ų1033.3 Ų33.37%0.0716%0.163CC..G310 helixtrans-57.4-24-178.554.10000113.3E135 L136S133-E135 PolarHBondContact O-N 3.3Å; S133-E135 VanDerWaalsContact O-N 3.11Å; S133-L136 PolarHBondContact O-N 3Å
134E93.5Very high88Confident5 Ų534 Ų342%0.02317%0.169CC..G310 helixtrans-63.2-15178.273.9-80.5-172.100114F118 R132 Y262 F641 L642 R645 L653F118-E134 HydrophobicContact CE2-CB 4.13Å; F118-E134 HydrophobicContact CZ-CB 4.25Å; R132-E134 WeakPolarHBondContact CA-OE2 3.28Å; R132-E134 WeakPolarHBondContact CD-OE1 3.44Å; R132-E134 PolarHBondContact O-N 3.47Å; R132-E134 VanDerWaalsContact O-N 3.12Å; E134-Y262 VanDerWaalsContact O-CD2 3.3Å; E134-Y262 WeakPolarHBondContact O-CD2 3.43Å; E134-F641 HydrophobicContact CB-CE1 4.1Å; E134-F641 HydrophobicContact CG-CE1 4.2Å; E134-L642 HydrophobicContact CB-CD2 4.2Å; E134-L642 HydrophobicContact CG-CD2 3.37Å; E134-R645 IonicContact OE1-CZ 2.78Å; E134-R645 IonicContact OE1-NH1 4Å; E134-R645 PolarHBondContact OE1-NH1 3.1Å; E134-L653 HydrophobicContact CB-CD2 3.83Å; E134-L653 HydrophobicContact CG-CD2 3.87Å; E134-L653 WeakPolarHBondContact OE2-CD2 3.33Å
135E95.9Very high85.2Confident0 Ų043.2 Ų43.20%020%0.204CC..G310 helixtrans-84.9-14.8175.6-61.4175.8178.600112.6R132 S133 F260 K261 Y262 F265 F266 R276 L642 R645R132-E135 HydrophobicContact CB-CG 4.37Å; R132-E135 PolarHBondContact O-N 3.09Å; R132-E135 VanDerWaalsContact O-N 3.16Å; S133-E135 PolarHBondContact O-N 3.3Å; S133-E135 VanDerWaalsContact O-N 3.11Å; E135-F260 CarbonylContact O-C 3.58Å; E135-K261 PolarHBondContact O-N 3.21Å; E135-Y262 PolarHBondContact O-N 3.36Å; E135-Y262 VanDerWaalsContact O-N 3.16Å; E135-F265 WeakPolarHBondContact OE1-CA 3.38Å; E135-F266 PolarHBondContact OE1-N 2.94Å; E135-R276 IonicContact OE1-NH2 3.82Å; E135-R276 PolarHBondContact OE1-NH2 2.95Å; E135-R276 IonicContact OE2-CZ 3.65Å; E135-R276 IonicContact OE2-NE 3.68Å; E135-R276 IonicContact OE2-NH2 2.79Å; E135-R276 PolarHBondContact OE2-NH2 2.83Å; E135-L642 HydrophobicContact CG-CD2 4.49Å; E135-R645 IonicContact OE1-CZ 2.78Å; E135-R645 IonicContact OE1-NH1 2.68Å; E135-R645 PolarHBondContact OE1-NH1 3.49Å; E135-R645 IonicContact OE1-NH2 3.77Å
136L97.9Very high82.5Confident7 Ų746.9 Ų46.94%0.03723%0.229CC..EExtended strand (participates in β ladder)trans-109158.8-176.3-61.792.9000111.2V121 I130 S133 L258 R259 F260V121-L136 HydrophobicContact CG1-CB 4.23Å; I130-L136 HydrophobicContact CD1-CD2 4.46Å; I130-L136 HydrophobicContact CG2-CD1 3.85Å; I130-L136 HydrophobicContact CG2-CD2 4.21Å; S133-L136 PolarHBondContact O-N 3Å; L136-L258 HydrophobicContact CB-CD1 4.18Å; L136-L258 HydrophobicContact CD2-CD1 4.13Å; L136-L258 HydrophobicContact CD2-CD2 4.24Å; L136-L258 HydrophobicContact CD2-CG 4.07Å; L136-R259 WeakPolarHBondContact CA-O 3.5Å; L136-F260 HydrophobicContact CD1-CD1 4.03Å; L136-F260 HydrophobicContact CD1-CE1 3.86Å; L136-F260 HydrophobicContact CD2-CD1 4.31Å; L136-F260 HydrophobicContact CD2-CD2 4.5Å; L136-F260 HydrophobicContact CD2-CE1 4.15Å; L136-F260 HydrophobicContact CD2-CE2 4.32Å; L136-F260 HydrophobicContact CD2-CG 4.49Å; L136-F260 HydrophobicContact CD2-CZ 4.15Å; L136-F260 HydrophobicContact CG-CD1 3.86Å; L136-F260 HydrophobicContact CG-CE1 4.01Å; L136-F260 HydrophobicContact CG-CG 4.25Å
137S98.2Very high80.4Confident1 Ų149.4 Ų49.41%0.00724%0.243CC..EExtended strand (participates in β ladder)trans-159.1-178.3169.6-165.20000110.5R259 K261S137-R259 PolarHBondContact N-O 3.4Å; S137-R259 PolarHBondContact O-N 2.85Å; S137-K261 VanDerWaalsContact CB-CD 3.47Å
138L98.2Very high78.2Confident0 Ų053.2 Ų53.20%026%0.257CS..EExtended strand (participates in β ladder)trans-100.9133.6179.1-60.7176.5000110.9L99 V117 V121 I124 L239 L245 L256 L257 L258L99-L138 HydrophobicContact CD1-CD2 3.55Å; V117-L138 HydrophobicContact CG1-CD1 4.33Å; V121-L138 HydrophobicContact CG2-CD1 4.18Å; V121-L138 HydrophobicContact CG2-CD2 4.39Å; V121-L138 HydrophobicContact CG2-CG 3.74Å; I124-L138 HydrophobicContact CD1-CD1 4.41Å; I124-L138 HydrophobicContact CD1-CD2 4.39Å; L138-L239 HydrophobicContact CB-CD1 3.81Å; L138-L239 HydrophobicContact CB-CG 4.15Å; L138-L239 HydrophobicContact CD1-CD1 4.35Å; L138-L239 PolarHBondContact O-N 2.89Å; L138-L245 HydrophobicContact CD1-CD2 3.9Å; L138-L256 HydrophobicContact CB-CD1 4.34Å; L138-L256 HydrophobicContact CD1-CD1 4.04Å; L138-L257 WeakPolarHBondContact CA-O 3.2Å; L138-L258 HydrophobicContact CD2-CD1 4.18Å
139L97Very high75.8Confident19 Ų1961.9 Ų61.910%0.09929%0.294CS..EExtended strand (participates in β ladder)trans-121.7132-179.517066.5000109.4W238 L257 R259L139-W238 HydrophobicContact CB-CD2 4.17Å; L139-W238 HydrophobicContact CB-CE3 3.76Å; L139-W238 HydrophobicContact CB-CH2 4.26Å; L139-W238 HydrophobicContact CB-CZ3 3.8Å; L139-W238 HydrophobicContact CD1-CD2 4.02Å; L139-W238 HydrophobicContact CD1-CE3 4.44Å; L139-W238 HydrophobicContact CD1-CG 4.11Å; L139-W238 HydrophobicContact CD2-CZ2 4.41Å; L139-L257 HydrophobicContact CB-CB 4.12Å; L139-L257 HydrophobicContact CD2-CD1 4.01Å; L139-L257 HydrophobicContact CG-CD1 4.22Å; L139-L257 PolarHBondContact N-O 3.18Å; L139-L257 WeakPolarHBondContact O-CB 3.14Å; L139-L257 PolarHBondContact O-N 2.84Å; L139-R259 HydrophobicContact CD2-CG 4.5Å
140K94.9Very high73.6Confident82 Ų8267 Ų6736%0.35732%0.315SS..PPolyproline II helixtrans-65.9133.7169.8-68.5-177.5176.8-175.30109.2G237 L239 Q248 L256K140-G237 WeakPolarHBondContact CB-O 3.37Å; K140-G237 PolarHBondContact N-O 2.92Å; K140-L239 HydrophobicContact CD-CD2 4.13Å; K140-L239 VanDerWaalsContact CE-CD2 3.44Å; K140-L239 HydrophobicContact CG-CD2 3.81Å; K140-Q248 PolarHBondContact NZ-O 3Å; K140-L256 HydrophobicContact CG-CD2 4.04Å
141P90.3Very high71.2Confident52 Ų5276.5 Ų76.534%0.33836%0.356SS..PPolyproline II helixtrans-59.9140.7174.925-32.6000109.7E143 K255 L257P141-E143 PolarHBondContact O-N 3.43Å; P141-K255 WeakPolarHBondContact CD-O 3.46Å; P141-K255 WeakPolarHBondContact CG-O 3.29Å; P141-L257 HydrophobicContact CB-CD1 4.47Å; P141-L257 HydrophobicContact CB-CD2 4.29Å; P141-L257 HydrophobicContact CB-CG 4.34Å
142P81.8Confident68.8Low75 Ų7583.6 Ų83.649%0.48739%0.388SS..PPolyproline II helixtrans-58.8134.5178.921.7-30.5000110.3D144 N234P142-D144 PolarHBondContact O-N 2.68Å; P142-D144 VanDerWaalsContact O-N 3.15Å; P142-N234 WeakPolarHBondContact CB-OD1 3.47Å
143E65.1Low66Low149 Ų14987.5 Ų87.570%0.69641%0.411SS*.PPolyproline II helixtrans-62117.8-179.9-74.9-164.6169.900110.3P141 W145 K148P141-E143 PolarHBondContact O-N 3.43Å; E143-W145 PolarHBondContact O-N 3.04Å; E143-K148 IonicContact OE1-NZ 3.31Å; E143-K148 IonicContact OE2-NZ 2.72Å; E143-K148 PolarHBondContact OE2-NZ 3.38Å
144D51.3Low63.3Low61 Ų6196.1 Ų96.133%0.32645%0.447SS..  trans-65.798.3169.4-89.6-38.7000109.8P142 S146 K147 K224P142-D144 PolarHBondContact O-N 2.68Å; P142-D144 VanDerWaalsContact O-N 3.15Å; D144-S146 PolarHBondContact O-N 2.95Å; D144-K147 HydrophobicContact CB-CB 4.32Å; D144-K147 HydrophobicContact CB-CD 3.92Å; D144-K147 HydrophobicContact CB-CG 3.96Å; D144-K147 PolarHBondContact O-N 2.71Å; D144-K147 WeakPolarHBondContact OD2-CE 3.34Å; D144-K147 IonicContact OD2-NZ 3.18Å; D144-K147 PolarHBondContact OD2-NZ 2.66Å; D144-K224 IonicContact OD1-NZ 2.89Å
145W35.5Very low60.4Low193 Ų193103.1 Ų103.173%0.73149%0.485SS*.Hα-helixtrans-54.9-25.5174.3-168.6-83.7000112.8E143 K147 K148E143-W145 PolarHBondContact O-N 3.04Å; W145-K147 VanDerWaalsContact C-N 3.32Å; W145-K147 PolarHBondContact O-N 3.41Å; W145-K148 PolarHBondContact O-N 3.07Å
146S35.8Very low57.5Low77 Ų77107.7 Ų107.754%0.53852%0.517SS..Hα-helixtrans-64.6-29.5175540000113.6D144D144-S146 PolarHBondContact O-N 2.95Å
147K41Very low54.7Low140 Ų140113 Ų11361%0.60955%0.552SS**Hα-helixtrans-79.8-23.3178.4-68.8177.1-177.4146.70112.9D144 W145 K149 K150D144-K147 HydrophobicContact CB-CB 4.32Å; D144-K147 HydrophobicContact CB-CD 3.92Å; D144-K147 HydrophobicContact CB-CG 3.96Å; D144-K147 PolarHBondContact O-N 2.71Å; D144-K147 WeakPolarHBondContact OD2-CE 3.34Å; D144-K147 IonicContact OD2-NZ 3.18Å; D144-K147 PolarHBondContact OD2-NZ 2.66Å; W145-K147 VanDerWaalsContact C-N 3.32Å; W145-K147 PolarHBondContact O-N 3.41Å; K147-K149 VanDerWaalsContact C-N 3.33Å; K147-K149 PolarHBondContact O-N 2.84Å; K147-K150 PolarHBondContact O-N 2.77Å
148K38.9Very low52.2Low141 Ų141121.6 Ų121.661%0.61359%0.592SS**Hα-helixtrans-67.8-29172-92.1174.5175.3157.90113.1E143 W145E143-K148 IonicContact OE1-NZ 3.31Å; E143-K148 IonicContact OE2-NZ 2.72Å; E143-K148 PolarHBondContact OE2-NZ 3.38Å; W145-K148 PolarHBondContact O-N 3.07Å
149K35.2Very low50.2Low183 Ų183126.4 Ų126.480%0.79661%0.614SS**Hα-helixtrans-85.3-19.5176.4-93.2-177178.3176.90114.4K147K147-K149 VanDerWaalsContact C-N 3.33Å; K147-K149 PolarHBondContact O-N 2.84Å
150K34.5Very low48.9Very low141 Ų141132.7 Ų132.761%0.61365%0.648SS**  trans-105.286.5174.9-82.7-168171.1-161.40110.7K147 K152 D153K147-K150 PolarHBondContact O-N 2.77Å; K150-K152 PolarHBondContact O-N 2.75Å; K150-D153 IonicContact NZ-OD2 2.7Å; K150-D153 PolarHBondContact NZ-OD2 2.93Å
151K37.7Very low48.3Very low207 Ų207133 Ų13390%0.965%0.653SS**  trans-61.7110163-154.9175.7-171.9176.30108
152K38Very low47.7Very low180 Ų180133.4 Ų133.478%0.78365%0.648SS**  trans6764156.2-145.3-177.4-163.2-1790116.8K150K150-K152 PolarHBondContact O-N 2.75Å
153D31.3Very low47.4Very low114 Ų114134.7 Ų134.761%0.6165%0.65SS**  trans-94117.2151.2-85.3-30.6000108.6K150 N155K150-D153 IonicContact NZ-OD2 2.7Å; K150-D153 PolarHBondContact NZ-OD2 2.93Å; D153-N155 PolarHBondContact O-N 2.88Å; D153-N155 VanDerWaalsContact O-N 3.1Å
154K37Very low47.9Very low192 Ų192127.6 Ų127.684%0.83562%0.617SS**SBendtrans-75.316.2-175.3-110.5-174.2177.7-173.30114.7
155N33.6Very low48.9Very low152 Ų152128.2 Ų128.281%0.81362%0.615SS**  trans-130.669.6177.3-88.56.2000109.5D153D153-N155 PolarHBondContact O-N 2.88Å; D153-N155 VanDerWaalsContact O-N 3.1Å
156S34Very low50.1Low96 Ų96124.5 Ų124.567%0.67161%0.609SS**  trans-68.7135154.646.90000107.6Q158S156-Q158 PolarHBondContact O-N 2.98Å; S156-Q158 VanDerWaalsContact O-N 3.08Å
157P40.1Very low51.1Low119 Ų119123.2 Ų123.277%0.77360%0.603SS**  trans-53.7123.1170.222.8-31000107.5E159P157-E159 PolarHBondContact O-N 2.85Å
158Q44.7Very low51.9Low181 Ų181118.5 Ų118.585%0.84659%0.585SS**  trans-57.7113.3175-170.7169.6-8.500106.1S156 D160S156-Q158 PolarHBondContact O-N 2.98Å; S156-Q158 VanDerWaalsContact O-N 3.08Å; Q158-D160 PolarHBondContact O-N 2.95Å
159E57.2Low52.5Low100 Ų100115.5 Ų115.547%0.46758%0.576SS.*  trans-62.9124.5175.5-71.2-171.5162.300107.4P157 I161 K255P157-E159 PolarHBondContact O-N 2.85Å; E159-I161 PolarHBondContact O-N 3.28Å; E159-K255 IonicContact OE1-NZ 3.95Å; E159-K255 PolarHBondContact OE1-NZ 3.38Å; E159-K255 WeakPolarHBondContact OE2-CD 3.1Å; E159-K255 IonicContact OE2-NZ 2.67Å; E159-K255 PolarHBondContact OE2-NZ 3.46Å
160D70.1Confident52.7Low151 Ų151112.4 Ų112.481%0.80757%0.572SS**  trans-62.8103176.8-74.8-30.7000108.9Q158 W162Q158-D160 PolarHBondContact O-N 2.95Å; D160-W162 PolarHBondContact O-N 2.83Å
161I80.5Confident52.9Low89 Ų89107.2 Ų107.246%0.45656%0.558SS.*BIsolated β-bridgetrans-71.8121.6171.2-61173.8000106.8L98 R108 E159 D163L98-I161 HydrophobicContact CD2-CD1 3.91Å; L98-I161 HydrophobicContact CD2-CG1 4.36Å; R108-I161 HydrophobicContact CB-CG2 4.12Å; E159-I161 PolarHBondContact O-N 3.28Å; I161-D163 PolarHBondContact O-N 2.98Å
162W79Confident52.8Low61 Ų61107.2 Ų107.223%0.23156%0.561CS.*  trans-81.8110.7178.5-170.828.1000109.7K105 T106 I107 D160 I164 P206 L207K105-W162 HydrophobicContact CB-CB 4.41Å; K105-W162 HydrophobicContact CB-CD2 4.27Å; K105-W162 HydrophobicContact CB-CE3 3.54Å; K105-W162 HydrophobicContact CB-CZ3 4.16Å; K105-W162 HydrophobicContact CD-CE3 4.48Å; K105-W162 HydrophobicContact CG-CD2 4.28Å; K105-W162 HydrophobicContact CG-CE3 3.78Å; K105-W162 HydrophobicContact CG-CZ3 4.15Å; T106-W162 PolarHBondContact O-N 2.86Å; I107-W162 HydrophobicContact CG2-CB 4.42Å; I107-W162 HydrophobicContact CG2-CE3 4.15Å; D160-W162 PolarHBondContact O-N 2.83Å; W162-I164 HydrophobicContact CE3-CD1 4.15Å; W162-I164 HydrophobicContact CH2-CD1 3.85Å; W162-I164 HydrophobicContact CH2-CG1 4.5Å; W162-I164 HydrophobicContact CZ2-CD1 4.33Å; W162-I164 HydrophobicContact CZ3-CD1 3.74Å; W162-I164 PolarHBondContact O-N 2.79Å; W162-P206 HydrophobicContact CH2-CB 4.14Å; W162-P206 HydrophobicContact CZ2-CB 4Å; W162-L207 HydrophobicContact CH2-CD2 4.23Å; W162-L207 HydrophobicContact CZ3-CD2 3.77Å
163D75.6Confident52.6Low101 Ų101102.7 Ų102.754%0.5457%0.566SS.*  trans-81.295.2175.4-157.9-14.8000110.1I161 W165I161-D163 PolarHBondContact O-N 2.98Å; D163-W165 PolarHBondContact OD1-N 2.8Å
164I74.8Confident52.6Low1 Ų1100 Ų1001%0.00557%0.565CS.*  trans-94.1-14.5-177.5-158170.9000112.4I107 W162 D166 A167 L168 P206 L207I107-I164 HydrophobicContact CG2-CG2 4.1Å; W162-I164 HydrophobicContact CE3-CD1 4.15Å; W162-I164 HydrophobicContact CH2-CD1 3.85Å; W162-I164 HydrophobicContact CH2-CG1 4.5Å; W162-I164 HydrophobicContact CZ2-CD1 4.33Å; W162-I164 HydrophobicContact CZ3-CD1 3.74Å; W162-I164 PolarHBondContact O-N 2.79Å; I164-D166 PolarHBondContact O-N 2.75Å; I164-A167 PolarHBondContact O-N 2.86Å; I164-L168 HydrophobicContact CG1-CD1 4.26Å; I164-L168 HydrophobicContact CG1-CG 4.3Å; I164-L168 HydrophobicContact CG2-CD1 4.14Å; I164-L168 WeakPolarHBondContact O-CG 3.49Å; I164-L168 PolarHBondContact O-N 2.76Å; I164-P206 HydrophobicContact CD1-CG 3.93Å; I164-P206 HydrophobicContact CG1-CG 3.66Å; I164-L207 HydrophobicContact CD1-CD1 4.04Å; I164-L207 HydrophobicContact CD1-CD2 3.26Å; I164-L207 HydrophobicContact CD1-CG 3.42Å; I164-L207 VanDerWaalsContact CD1-CG 3.42Å
165W72.6Confident52.3Low73 Ų7396.5 Ų96.528%0.27756%0.56SS.*Hα-helixtrans-72.4-32.6-169.9-57.4122.2000112.3I107 R108 M109 I127 D163 L168 N169I107-W165 HydrophobicContact CD1-CZ2 4.37Å; R108-W165 PolarHBondContact O-NE1 3.14Å; M109-W165 HydrophobicContact CB-CZ2 3.99Å; M109-W165 HydrophobicContact CE-CH2 3.62Å; M109-W165 HydrophobicContact CE-CZ2 3.89Å; M109-W165 HydrophobicContact CG-CH2 4.15Å; M109-W165 HydrophobicContact CG-CZ2 3.85Å; M109-W165 HydrophobicContact SD-CH2 4.35Å; I127-W165 HydrophobicContact CG2-CH2 3.83Å; I127-W165 HydrophobicContact CG2-CZ3 3.86Å; D163-W165 PolarHBondContact OD1-N 2.8Å; W165-L168 HydrophobicContact CE3-CD1 3.7Å; W165-L168 HydrophobicContact CZ3-CD1 3.64Å; W165-N169 VanDerWaalsContact O-CG 3.23Å; W165-N169 PolarHBondContact O-N 2.84Å; W165-N169 PolarHBondContact O-ND2 2.84Å
166D61.2Low52.3Low115 Ų11591.1 Ų91.162%0.61554%0.54SS*.Hα-helixtrans-63.1-44.4172-74.9-15.3000110.9I164 N169 V170I164-D166 PolarHBondContact O-N 2.75Å; D166-N169 PolarHBondContact O-N 3.36Å; D166-V170 WeakPolarHBondContact O-CG2 3.46Å
167A57Low52.4Low50 Ų5092 Ų9241%0.41354%0.544SS..Hα-helixtrans-67-37.6-179.800000113.2I164 N169 V170 P206I164-A167 PolarHBondContact O-N 2.86Å; A167-N169 PolarHBondContact O-N 3.02Å; A167-V170 PolarHBondContact O-N 2.77Å; A167-P206 HydrophobicContact CB-CG 4.04Å
168L57.5Low52.2Low42 Ų4294.1 Ų94.122%0.2255%0.548CS..Hα-helixtrans-70.4-15.6176.3-67.7172.3000113.4I164 W165I164-L168 HydrophobicContact CG1-CD1 4.26Å; I164-L168 HydrophobicContact CG1-CG 4.3Å; I164-L168 HydrophobicContact CG2-CD1 4.14Å; I164-L168 WeakPolarHBondContact O-CG 3.49Å; I164-L168 PolarHBondContact O-N 2.76Å; W165-L168 HydrophobicContact CE3-CD1 3.7Å; W165-L168 HydrophobicContact CZ3-CD1 3.64Å
169N51Low51.5Low78 Ų7894.6 Ų94.642%0.41754%0.543SS..THydrogen-bonded Turntrans-93.8-3.6179.4-75-34.9000114.2W165 D166 A167 G171W165-N169 VanDerWaalsContact O-CG 3.23Å; W165-N169 PolarHBondContact O-N 2.84Å; W165-N169 PolarHBondContact O-ND2 2.84Å; D166-N169 PolarHBondContact O-N 3.36Å; A167-N169 PolarHBondContact O-N 3.02Å; N169-G171 PolarHBondContact O-N 3.31Å
170V39.3Very low50.6Low118 Ų11895 Ų9572%0.71555%0.548SS*.  trans-81.511-174.2-177.10000113.7D166 A167 Q172D166-V170 WeakPolarHBondContact O-CG2 3.46Å; A167-V170 PolarHBondContact O-N 2.77Å; V170-Q172 PolarHBondContact O-N 3.25Å; V170-Q172 VanDerWaalsContact O-N 3.14Å
171G39.3Very low49Very low31 Ų3195.5 Ų95.532%0.3254%0.543SS..SBendtrans-64.1111.8161.300000109.8N169 G173N169-G171 PolarHBondContact O-N 3.31Å; G171-G173 PolarHBondContact O-N 3.22Å
172Q35.1Very low46.7Very low207 Ų20797 Ų9797%0.96756%0.557SS**THydrogen-bonded Turntrans-46.9111.8-178-78.5-177.1-13.300112V170V170-Q172 PolarHBondContact O-N 3.25Å; V170-Q172 VanDerWaalsContact O-N 3.14Å
173G33.1Very low44.6Very low86 Ų86100.2 Ų100.289%0.88758%0.576SS**THydrogen-bonded Turntrans115.54.2163.300000118.2G171G171-G173 PolarHBondContact O-N 3.22Å
174G32.7Very low43.1Very low58 Ų5899.7 Ų99.760%0.59858%0.576SS**  trans-100.6117.5177.100000113.3
175T30.2Very low41.5Very low118 Ų118100.5 Ų100.572%0.72458%0.584SS**  trans-56.6136.2168.149.60000110.6
176G33.7Very low39.9Very low38 Ų38100.6 Ų100.639%0.39259%0.592SS.*  trans-56.6-159.4-172.200000118.2L178G176-L178 PolarHBondContact O-N 3.39Å
177P35.4Very low39.4Very low115 Ų11598.3 Ų98.375%0.74758%0.576SS**THydrogen-bonded Turntrans-65.62.9-151-18.229.5000117.6
178L35.5Very low38.9Very low164 Ų16497.9 Ų97.986%0.85957%0.566SS**THydrogen-bonded Turntrans-97.5-4.8-169.8-85.2137.6000114.8G176G176-L178 PolarHBondContact O-N 3.39Å
179Y31.6Very low38Very low190 Ų190100.9 Ų100.975%0.74559%0.588SS**SBendtrans-109.52.2-176.9-106.2-88.7000117.1
180N36.5Very low37.3Very low108 Ų108105.6 Ų105.658%0.57861%0.608SS**THydrogen-bonded Turntrans-91.611.5-175.8-98.82000116.6T182N180-T182 PolarHBondContact O-N 3.33Å; N180-T182 VanDerWaalsContact O-N 3.13Å
181K37.3Very low37.5Very low162 Ų162103 Ų10370%0.70459%0.59SS**THydrogen-bonded Turntrans-68.5-7.1178.4-93.9-175.1176.1-177.10114.8D55D55-K181 IonicContact OD2-NZ 3.73Å
182T33.1Very low37.8Very low121 Ų121102 Ų10274%0.74258%0.579SS**SBendtrans-133.2-9.4-174.5-28.70000115N180N180-T182 PolarHBondContact O-N 3.33Å; N180-T182 VanDerWaalsContact O-N 3.13Å
183M34.5Very low38.2Very low129 Ų12995.5 Ų95.564%0.63555%0.549SS*.  trans-113.2109.7179.8-75.3-78.9142.700109.2W201M183-W201 HydrophobicContact CB-CH2 4.05Å
184T43Very low38.7Very low89 Ų8992.9 Ų92.955%0.54652%0.517SS..  trans-86.7137.2175.9-52.10000107.8T186T184-T186 VanDerWaalsContact C-N 3.34Å; T184-T186 PolarHBondContact O-N 2.82Å
185A41.2Very low39.4Very low19 Ų1994.9 Ų94.916%0.15751%0.512CS..  trans-59.1102.3166.100000107.9Y187A185-Y187 HydrophobicContact CB-CE2 4.04Å; A185-Y187 WeakPolarHBondContact O-CD2 3.45Å
186T40.3Very low40Very low75 Ų7594.5 Ų94.546%0.4651%0.514SS..PPolyproline II helixtrans-87.5117.4-179.837.40000108.4T184 M195T184-T186 VanDerWaalsContact C-N 3.34Å; T184-T186 PolarHBondContact O-N 2.82Å; T186-M195 WeakPolarHBondContact O-CB 3.26Å; T186-M195 VanDerWaalsContact O-CG 3.3Å; T186-M195 WeakPolarHBondContact O-CG 3.33Å; T186-M195 PolarHBondContact O-N 3.39Å
187Y51Low40.3Very low67 Ų6796.4 Ų96.426%0.26353%0.526SS..BIsolated β-bridgetrans-91.4138.8170.2-62.7-93.7000108.4N129 A185 P189 G192 M193 P194N129-Y187 PolarHBondContact OD1-OH 2.85Å; A185-Y187 HydrophobicContact CB-CE2 4.04Å; A185-Y187 WeakPolarHBondContact O-CD2 3.45Å; Y187-P189 WeakPolarHBondContact O-CD 3.42Å; Y187-G192 WeakPolarHBondContact CD1-O 3.37Å; Y187-M193 CarbonylContact C-O 3.44Å; Y187-M193 WeakPolarHBondContact CA-O 3.44Å; Y187-P194 HydrophobicContact CD1-CB 4.36Å; Y187-P194 HydrophobicContact CE1-CB 4.23Å
188D44.7Very low40.6Very low41 Ų4191.2 Ų91.222%0.21949%0.492CS..PPolyproline II helixtrans-60123.1172177.6-19.6000108.7E190 N191 G192 M193D188-E190 PolarHBondContact O-N 3.25Å; D188-E190 PolarHBondContact OD1-N 3.07Å; D188-N191 WeakPolarHBondContact CB-OD1 3.38Å; D188-N191 PolarHBondContact OD2-ND2 3.25Å; D188-N191 PolarHBondContact OD2-OD1 3.29Å; D188-G192 VanDerWaalsContact O-CA 3.3Å; D188-G192 WeakPolarHBondContact O-CA 3.1Å; D188-G192 PolarHBondContact O-N 3.25Å; D188-M193 HydrophobicContact CB-CB 4.29Å; D188-M193 PolarHBondContact N-O 3.34Å
189P40Very low40.8Very low105 Ų10586.5 Ų86.568%0.68247%0.473SS*.THydrogen-bonded Turntrans-63.6-19.7-177.2-19.730.9000115.2Y187Y187-P189 WeakPolarHBondContact O-CD 3.42Å
190E36.7Very low41.2Very low177 Ų17784.5 Ų84.583%0.82748%0.475SS*.THydrogen-bonded Turntrans-90.3-29.6-175.6-70.6-169.2160.700113.3D188D188-E190 PolarHBondContact O-N 3.25Å; D188-E190 PolarHBondContact OD1-N 3.07Å
191N43.2Very low41.5Very low64 Ų6484 Ų8434%0.34246%0.464SS..THydrogen-bonded Turntrans-135.2-3.2-171.359.134.2000113.7D188 M193D188-N191 WeakPolarHBondContact CB-OD1 3.38Å; D188-N191 PolarHBondContact OD2-ND2 3.25Å; D188-N191 PolarHBondContact OD2-OD1 3.29Å; N191-M193 HydrophobicContact CB-CG 4.33Å; N191-M193 PolarHBondContact O-N 3.22Å; N191-M193 WeakPolarHBondContact OD1-CB 3.47Å; N191-M193 WeakPolarHBondContact OD1-CG 3.22Å; N191-M193 PolarHBondContact OD1-N 3.43Å
192G44.7Very low41.9Very low8 Ų879.4 Ų79.48%0.08245%0.445CS..  trans69.417.4178.700000114.4Y187 D188Y187-G192 WeakPolarHBondContact CD1-O 3.37Å; D188-G192 VanDerWaalsContact O-CA 3.3Å; D188-G192 WeakPolarHBondContact O-CA 3.1Å; D188-G192 PolarHBondContact O-N 3.25Å
193M42.8Very low42.4Very low71 Ų7176.1 Ų76.135%0.3544%0.435SS..PPolyproline II helixtrans-73.9137.2177.7-68.1-73.9-86.400110.6Y187 D188 N191 M195 Y272Y187-M193 CarbonylContact C-O 3.44Å; Y187-M193 WeakPolarHBondContact CA-O 3.44Å; D188-M193 HydrophobicContact CB-CB 4.29Å; D188-M193 PolarHBondContact N-O 3.34Å; N191-M193 HydrophobicContact CB-CG 4.33Å; N191-M193 PolarHBondContact O-N 3.22Å; N191-M193 WeakPolarHBondContact OD1-CB 3.47Å; N191-M193 WeakPolarHBondContact OD1-CG 3.22Å; N191-M193 PolarHBondContact OD1-N 3.43Å; M193-M195 PolarHBondContact O-N 2.94Å; M193-M195 VanDerWaalsContact O-N 3.15Å; M193-Y272 HydrophobicContact SD-CD1 4.05Å; M193-Y272 HydrophobicContact SD-CE1 3.36Å; M193-Y272 WeakPolarHBondContact SD-CE1 3.48Å
194P45.3Very low43.4Very low32 Ų3278.5 Ų78.521%0.20845%0.445CS..BIsolated β-bridgetrans-59.3123.7162.624.2-29000107.8Y187 S196 T198Y187-P194 HydrophobicContact CD1-CB 4.36Å; Y187-P194 HydrophobicContact CE1-CB 4.23Å; P194-S196 PolarHBondContact O-N 3.33Å; P194-T198 WeakPolarHBondContact CB-OG1 3.2Å
195M47Very low44.5Very low100 Ų10075.3 Ų75.349%0.49342%0.424SS..PPolyproline II helixtrans-47.7141.8175.7-76.8-77-74.300109.2T186 M193 A197 T198 S199T186-M195 WeakPolarHBondContact O-CB 3.26Å; T186-M195 VanDerWaalsContact O-CG 3.3Å; T186-M195 WeakPolarHBondContact O-CG 3.33Å; T186-M195 PolarHBondContact O-N 3.39Å; M193-M195 PolarHBondContact O-N 2.94Å; M193-M195 VanDerWaalsContact O-N 3.15Å; M195-A197 PolarHBondContact O-N 3.41Å; M195-T198 PolarHBondContact N-OG1 3Å; M195-T198 PolarHBondContact O-N 3.38Å; M195-T198 PolarHBondContact O-OG1 3.31Å; M195-S199 PolarHBondContact O-N 3.36Å
196S43.3Very low46.3Very low110 Ų11075.3 Ų75.377%0.76942%0.423SS*.Hα-helixtrans-51.1-26-16871.50000115P194 T198P194-S196 PolarHBondContact O-N 3.33Å; S196-T198 VanDerWaalsContact C-N 3.3Å; S196-T198 PolarHBondContact O-N 2.87Å
197A38.4Very low48.3Very low77 Ų7771.9 Ų71.964%0.63640%0.401SS*.Hα-helixtrans-68.5-18.5173.900000115.4M195 W201M195-A197 PolarHBondContact O-N 3.41Å; A197-W201 PolarHBondContact O-NE1 2.93Å
198T43.3Very low49.7Very low6 Ų669.9 Ų69.94%0.03740%0.399CS..Hα-helixtrans-114.1-12.1-177.656.90000113.7P194 M195 S196 L200 W201 F202P194-T198 WeakPolarHBondContact CB-OG1 3.2Å; M195-T198 PolarHBondContact N-OG1 3Å; M195-T198 PolarHBondContact O-N 3.38Å; M195-T198 PolarHBondContact O-OG1 3.31Å; S196-T198 VanDerWaalsContact C-N 3.3Å; S196-T198 PolarHBondContact O-N 2.87Å; T198-L200 PolarHBondContact O-N 3.47Å; T198-W201 HydrophobicContact CG2-CD2 3.96Å; T198-W201 HydrophobicContact CG2-CE3 3.9Å; T198-W201 HydrophobicContact CG2-CH2 3.86Å; T198-W201 HydrophobicContact CG2-CZ2 3.89Å; T198-W201 HydrophobicContact CG2-CZ3 3.85Å; T198-W201 VanDerWaalsContact O-CB 3.25Å; T198-W201 WeakPolarHBondContact O-CB 3.2Å; T198-W201 PolarHBondContact O-N 3.48Å; T198-F202 WeakPolarHBondContact O-CD2 3.43Å; T198-F202 WeakPolarHBondContact O-CE2 3.33Å
199S39.9Very low51.4Low65 Ų6572.5 Ų72.546%0.45541%0.41SS..Hα-helixtrans-62.2-32.3176.5-160.30000112.2M195 W201M195-S199 PolarHBondContact O-N 3.36Å; S199-W201 VanDerWaalsContact C-N 3.27Å; S199-W201 PolarHBondContact O-N 3.34Å
200L38.2Very low53.4Low149 Ų14967.9 Ų67.978%0.7838%0.38SS*.THydrogen-bonded Turntrans-75.1-8.2174.4-72.5162.2000114.3T198 F202T198-L200 PolarHBondContact O-N 3.47Å; L200-F202 PolarHBondContact O-N 3.26Å
201W43.7Very low55.4Low96 Ų9661.1 Ų61.136%0.36435%0.348SS..THydrogen-bonded Turntrans-77.2-13.6176.9-633000112.2M183 A197 T198 S199M183-W201 HydrophobicContact CB-CH2 4.05Å; A197-W201 PolarHBondContact O-NE1 2.93Å; T198-W201 HydrophobicContact CG2-CD2 3.96Å; T198-W201 HydrophobicContact CG2-CE3 3.9Å; T198-W201 HydrophobicContact CG2-CH2 3.86Å; T198-W201 HydrophobicContact CG2-CZ2 3.89Å; T198-W201 HydrophobicContact CG2-CZ3 3.85Å; T198-W201 VanDerWaalsContact O-CB 3.25Å; T198-W201 WeakPolarHBondContact O-CB 3.2Å; T198-W201 PolarHBondContact O-N 3.48Å; S199-W201 VanDerWaalsContact C-N 3.27Å; S199-W201 PolarHBondContact O-N 3.34Å
202F46.2Very low57Low67 Ų6762.6 Ų62.629%0.29436%0.361SS..  trans-116.987.3-176-53.2-73.8000108.6T198 L200T198-F202 WeakPolarHBondContact O-CD2 3.43Å; T198-F202 WeakPolarHBondContact O-CE2 3.33Å; L200-F202 PolarHBondContact O-N 3.26Å
203G43.6Very low58.8Low52 Ų5263.3 Ų63.354%0.53636%0.363SS..SBendtrans-67.1-159.115900000111.2N205G203-N205 PolarHBondContact O-N 3.03Å
204E54.2Low60.6Low179 Ų17962.9 Ų62.984%0.83636%0.362SS*.SBendtrans-52.8108.8172.4-69.4-174.6161.900110.4P206E204-P206 VanDerWaalsContact O-CD 3.31Å; E204-P206 WeakPolarHBondContact O-CD 3.24Å
205N67.8Low62.3Low21 Ų2164.6 Ų64.611%0.11237%0.373CS..  trans-87112.8179.9-173.4-28.5000109G203 L207 A208 V275G203-N205 PolarHBondContact O-N 3.03Å; N205-L207 PolarHBondContact O-N 3.5Å; N205-L207 VanDerWaalsContact OD1-CB 3.23Å; N205-L207 WeakPolarHBondContact OD1-CB 3.07Å; N205-L207 WeakPolarHBondContact OD1-CG 3.41Å; N205-L207 PolarHBondContact OD1-N 3.37Å; N205-A208 WeakPolarHBondContact O-CB 3.17Å; N205-A208 PolarHBondContact O-N 2.83Å; N205-V275 HydrophobicContact CB-CG2 4.38Å
206P77.3Confident64Low20 Ų2061.9 Ų61.913%0.1336%0.363CS..G310 helixtrans-62.7-15-177.524.5-34.3000113.6W162 I164 A167 E204 A208 E209W162-P206 HydrophobicContact CH2-CB 4.14Å; W162-P206 HydrophobicContact CZ2-CB 4Å; I164-P206 HydrophobicContact CD1-CG 3.93Å; I164-P206 HydrophobicContact CG1-CG 3.66Å; A167-P206 HydrophobicContact CB-CG 4.04Å; E204-P206 VanDerWaalsContact O-CD 3.31Å; E204-P206 WeakPolarHBondContact O-CD 3.24Å; P206-A208 VanDerWaalsContact C-N 3.28Å; P206-E209 PolarHBondContact O-N 3.38Å
207L82.6Confident65.9Low2 Ų259.9 Ų59.91%0.0135%0.353CS..G310 helixtrans-74.7-15.4173.1-60173.8000113.8L101 L128 W162 I164 N205 V275 Q279L101-L207 HydrophobicContact CD1-CD2 3.48Å; L101-L207 VanDerWaalsContact CD1-CD2 3.48Å; L128-L207 HydrophobicContact CB-CD1 4.13Å; L128-L207 HydrophobicContact CD2-CD1 3.59Å; L128-L207 HydrophobicContact CG-CD1 4.44Å; W162-L207 HydrophobicContact CH2-CD2 4.23Å; W162-L207 HydrophobicContact CZ3-CD2 3.77Å; I164-L207 HydrophobicContact CD1-CD1 4.04Å; I164-L207 HydrophobicContact CD1-CD2 3.26Å; I164-L207 HydrophobicContact CD1-CG 3.42Å; I164-L207 VanDerWaalsContact CD1-CG 3.42Å; N205-L207 PolarHBondContact O-N 3.5Å; N205-L207 VanDerWaalsContact OD1-CB 3.23Å; N205-L207 WeakPolarHBondContact OD1-CB 3.07Å; N205-L207 WeakPolarHBondContact OD1-CG 3.41Å; N205-L207 PolarHBondContact OD1-N 3.37Å; L207-V275 HydrophobicContact CB-CB 4.5Å; L207-V275 HydrophobicContact CB-CG1 3.59Å; L207-V275 HydrophobicContact CB-CG2 4.16Å; L207-V275 HydrophobicContact CD1-CG1 4.33Å; L207-Q279 PolarHBondContact O-NE2 3.25Å; L207-Q279 VanDerWaalsContact O-NE2 3.14Å
208A81.5Confident67.9Low26 Ų2660.1 Ų60.122%0.21534%0.341CS..G310 helixtrans-86.9-10.8175.200000112.7N205 P206 A274 V275 T278 K541N205-A208 WeakPolarHBondContact O-CB 3.17Å; N205-A208 PolarHBondContact O-N 2.83Å; P206-A208 VanDerWaalsContact C-N 3.28Å; A208-A274 HydrophobicContact CB-CB 4.2Å; A208-V275 HydrophobicContact CB-CG2 4.12Å; A208-T278 WeakPolarHBondContact O-CG2 3.48Å; A208-T278 PolarHBondContact O-OG1 3.4Å; A208-K541 PolarHBondContact O-NZ 2.99Å
209E80.2Confident69.9Low96 Ų9660 Ų6045%0.44934%0.341SS..SBendtrans-86138176-64.8-174.4176.500111.9P206P206-E209 PolarHBondContact O-N 3.38Å
210S82.6Confident72Confident7 Ų759 Ų595%0.04934%0.34CS..PPolyproline II helixtrans-77.8143.6175-410000109.7I310 K541S210-I310 VanDerWaalsContact OG-CG2 3.26Å; S210-I310 WeakPolarHBondContact OG-CG2 3.35Å; S210-K541 WeakPolarHBondContact OG-CE 3.23Å; S210-K541 PolarHBondContact OG-NZ 2.91Å
211Q77.4Confident74.3Confident36 Ų3658.3 Ų58.317%0.16833%0.331CS..PPolyproline II helixtrans-83.8147.6178.2-63.7-64.7-59.200110.9N103 K105 E282N103-Q211 HydrophobicContact CB-CG 4.45Å; K105-Q211 VanDerWaalsContact CE-OE1 3.24Å; Q211-E282 PolarHBondContact N-OE1 2.93Å
212P77.4Confident76.4Confident95 Ų9557 Ų5762%0.61733%0.33SS*.PPolyproline II helixtrans-62.9147.6172.827.1-33.9000110.6
213N82Confident78.3Confident23 Ų2356.1 Ų56.112%0.12333%0.325CS..PPolyproline II helixtrans-64.9144.2178.1-79.3-33.3000112R285 Q307 C506 F507N213-R285 PolarHBondContact OD1-NH1 3.03Å; N213-Q307 PolarHBondContact OD1-OE1 3.41Å; N213-C506 HydrophobicContact CB-CB 3.88Å; N213-C506 WeakPolarHBondContact CB-O 3.47Å; N213-C506 VanDerWaalsContact CG-O 3.32Å; N213-C506 PolarHBondContact ND2-O 3.26Å; N213-F507 WeakPolarHBondContact ND2-CD1 3.44Å; N213-F507 WeakPolarHBondContact ND2-CE1 3.19Å
214L80.1Confident80.3Confident61 Ų6159.4 Ų59.432%0.31932%0.324SS..PPolyproline II helixtrans-69.5143.8175.2-71.4-176.7000111E218 L219 I222 W286L214-E218 HydrophobicContact CB-CB 4.42Å; L214-E218 HydrophobicContact CD1-CB 4.44Å; L214-L219 HydrophobicContact CB-CB 4.44Å; L214-I222 HydrophobicContact CD1-CD1 3.74Å; L214-W286 HydrophobicContact CD1-CH2 3.55Å; L214-W286 HydrophobicContact CD1-CZ3 4.21Å; L214-W286 HydrophobicContact CG-CH2 3.84Å
215P81.1Confident81.7Confident69 Ų6955.5 Ų55.545%0.44832%0.315SS..PPolyproline II helixtrans-56.8149.3168.3-23.233.5000111.1A217 E218 L219P215-A217 PolarHBondContact O-N 3.03Å; P215-A217 VanDerWaalsContact O-N 3.07Å; P215-E218 PolarHBondContact O-N 3.2Å; P215-L219 PolarHBondContact O-N 3.15Å
216P83.3Confident82.8Confident42 Ų4256.8 Ų56.827%0.27332%0.321SS..Hα-helixtrans-56.6-31.8-177.3-27.336000113.9G220 E505P216-G220 PolarHBondContact O-N 3.45Å; P216-E505 HydrophobicContact CG-CB 3.64Å
217A82.4Confident83.5Confident69 Ų6958.6 Ų58.657%0.5733%0.334SS*.Hα-helixtrans-65.6-40.3176.900000112.8P215 K221P215-A217 PolarHBondContact O-N 3.03Å; P215-A217 VanDerWaalsContact O-N 3.07Å; A217-K221 WeakPolarHBondContact O-CG 3.44Å
218E82.2Confident83.9Confident82 Ų8260.3 Ų60.338%0.38334%0.344SS..Hα-helixtrans-77.6-40.7177.8-63.2-53.8137.400111L214 P215 G220 K221 I222L214-E218 HydrophobicContact CB-CB 4.42Å; L214-E218 HydrophobicContact CD1-CB 4.44Å; P215-E218 PolarHBondContact O-N 3.2Å; E218-G220 PolarHBondContact O-N 2.79Å; E218-K221 WeakPolarHBondContact O-CB 3.44Å; E218-K221 PolarHBondContact O-N 3.49Å; E218-K221 IonicContact OE1-NZ 3.49Å; E218-K221 PolarHBondContact OE1-NZ 3.38Å; E218-K221 WeakPolarHBondContact OE2-CD 3.48Å; E218-K221 WeakPolarHBondContact OE2-CE 3.31Å; E218-K221 IonicContact OE2-NZ 2.89Å; E218-K221 PolarHBondContact OE2-NZ 3.47Å; E218-I222 PolarHBondContact O-N 2.95Å
219L84.8Confident84.4Confident4 Ų461.1 Ų61.12%0.02135%0.346CS..Hα-helixtrans-57.6-40.5173.2-176.864.3000111.3L214 P215 K221 I222 Y223 W286 M289 L290 P510L214-L219 HydrophobicContact CB-CB 4.44Å; P215-L219 PolarHBondContact O-N 3.15Å; L219-K221 PolarHBondContact O-N 3.24Å; L219-I222 HydrophobicContact CD1-CD1 4.15Å; L219-I222 HydrophobicContact CD1-CG1 4.31Å; L219-I222 VanDerWaalsContact O-CG1 3.23Å; L219-I222 WeakPolarHBondContact O-CG1 3.32Å; L219-I222 PolarHBondContact O-N 3.47Å; L219-Y223 VanDerWaalsContact O-CB 3.27Å; L219-Y223 WeakPolarHBondContact O-CB 3.37Å; L219-Y223 PolarHBondContact O-N 3.01Å; L219-W286 HydrophobicContact CD1-CZ3 3.99Å; L219-M289 HydrophobicContact CD1-CB 4.47Å; L219-M289 HydrophobicContact CD2-CE 3.63Å; L219-L290 HydrophobicContact CD1-CD2 3.99Å; L219-P510 HydrophobicContact CD2-CG 3.97Å; L219-P510 HydrophobicContact CG-CG 3.96Å
220G84.1Confident85Confident42 Ų4259.4 Ų59.443%0.43334%0.34SS..Hα-helixtrans-64.3-22.2176.500000114.8P216 E218P216-G220 PolarHBondContact O-N 3.45Å; E218-G220 PolarHBondContact O-N 2.79Å
221K86.7Confident85.4Confident136 Ų13660.2 Ų60.259%0.59134%0.342SS*.Hα-helixtrans-78.5-34176.3-66.1175-165.4166.40112.5A217 E218 L219A217-K221 WeakPolarHBondContact O-CG 3.44Å; E218-K221 WeakPolarHBondContact O-CB 3.44Å; E218-K221 PolarHBondContact O-N 3.49Å; E218-K221 IonicContact OE1-NZ 3.49Å; E218-K221 PolarHBondContact OE1-NZ 3.38Å; E218-K221 WeakPolarHBondContact OE2-CD 3.48Å; E218-K221 WeakPolarHBondContact OE2-CE 3.31Å; E218-K221 IonicContact OE2-NZ 2.89Å; E218-K221 PolarHBondContact OE2-NZ 3.47Å; L219-K221 PolarHBondContact O-N 3.24Å
222I86.1Confident86.2Confident69 Ų6958.5 Ų58.535%0.35433%0.334SS..Hα-helixtrans-90.8-26.3-179.159.9171.5000112.4L214 E218 L219 K224 W286 L290L214-I222 HydrophobicContact CD1-CD1 3.74Å; E218-I222 PolarHBondContact O-N 2.95Å; L219-I222 HydrophobicContact CD1-CD1 4.15Å; L219-I222 HydrophobicContact CD1-CG1 4.31Å; L219-I222 VanDerWaalsContact O-CG1 3.23Å; L219-I222 WeakPolarHBondContact O-CG1 3.32Å; L219-I222 PolarHBondContact O-N 3.47Å; I222-K224 PolarHBondContact O-N 2.87Å; I222-W286 HydrophobicContact CD1-CE3 4.45Å; I222-W286 HydrophobicContact CD1-CH2 4.12Å; I222-W286 HydrophobicContact CD1-CZ3 3.66Å; I222-L290 HydrophobicContact CD1-CD2 3.98Å; I222-L290 HydrophobicContact CG1-CD2 3.9Å
223Y87.3Confident86.8Confident48 Ų4859.2 Ų59.219%0.18833%0.329CS..  trans-63.7122.4176.8173.2-100.3000111.6L219 E291 P510L219-Y223 VanDerWaalsContact O-CB 3.27Å; L219-Y223 WeakPolarHBondContact O-CB 3.37Å; L219-Y223 PolarHBondContact O-N 3.01Å; Y223-E291 HydrophobicContact CE2-CB 4.05Å; Y223-E291 HydrophobicContact CE2-CG 3.87Å; Y223-E291 WeakPolarHBondContact CE2-OE2 3.43Å; Y223-E291 PolarHBondContact OH-OE2 2.66Å; Y223-P510 HydrophobicContact CD1-CB 4.07Å; Y223-P510 HydrophobicContact CD1-CG 4.1Å; Y223-P510 HydrophobicContact CD2-CB 4.47Å; Y223-P510 HydrophobicContact CD2-CG 3.87Å; Y223-P510 HydrophobicContact CE1-CB 4.32Å; Y223-P510 HydrophobicContact CE2-CG 4.46Å; Y223-P510 HydrophobicContact CG-CB 4.14Å; Y223-P510 HydrophobicContact CG-CG 3.66Å
224K85.3Confident87.3Confident120 Ų12060.7 Ų60.752%0.52234%0.337SS..  trans-134.7119.5173-65.8177-175.1170.90107.7D144 I222 L226D144-K224 IonicContact OD1-NZ 2.89Å; I222-K224 PolarHBondContact O-N 2.87Å; K224-L226 PolarHBondContact O-N 3.08Å
225P84.1Confident87.8Confident98 Ų9858.9 Ų58.964%0.63633%0.328SS*.PPolyproline II helixtrans-64123.5175.926.2-32.5000109.3
226L89.8Confident88.2Confident48 Ų4857.1 Ų57.125%0.25132%0.319SS..PPolyproline II helixtrans-101.5124.8-177.4-58.9-179.4000110.6K224 D230 K231 E292K224-L226 PolarHBondContact O-N 3.08Å; L226-D230 HydrophobicContact CB-CB 4.17Å; L226-D230 HydrophobicContact CD2-CB 3.97Å; L226-K231 HydrophobicContact CB-CG 3.96Å; L226-K231 HydrophobicContact CD1-CG 4.37Å; L226-E292 HydrophobicContact CD1-CG 4.22Å
227S91.8Very high88.6Confident57 Ų5756 Ų5640%0.39932%0.315SS..PPolyproline II helixtrans-72166.6164.672.50000110.9V229 D230 K231S227-V229 PolarHBondContact O-N 2.9Å; S227-V229 PolarHBondContact OG-N 3.48Å; S227-D230 VanDerWaalsContact CB-OD2 3.25Å; S227-D230 WeakPolarHBondContact CB-OD2 3.4Å; S227-D230 PolarHBondContact N-OD2 3.41Å; S227-D230 PolarHBondContact O-N 3.1Å; S227-D230 VanDerWaalsContact O-N 3.13Å; S227-D230 PolarHBondContact OG-N 3.05Å; S227-D230 PolarHBondContact OG-OD2 2.98Å; S227-K231 WeakPolarHBondContact O-CG 3.33Å; S227-K231 PolarHBondContact O-N 2.98Å
228L91.1Very high89.3Confident39 Ų3953.5 Ų53.520%0.20429%0.291CS..Hα-helixtrans-59-30.2173.7-70.8175.5000112.6K231 A232 Y558 I571 I582L228-K231 HydrophobicContact CD2-CD 4.49Å; L228-A232 WeakPolarHBondContact O-CB 3.2Å; L228-A232 PolarHBondContact O-N 3.25Å; L228-Y558 HydrophobicContact CD2-CD1 4.35Å; L228-Y558 HydrophobicContact CD2-CD2 4.15Å; L228-Y558 HydrophobicContact CD2-CE1 4.02Å; L228-Y558 HydrophobicContact CD2-CE2 3.81Å; L228-Y558 HydrophobicContact CD2-CG 4.4Å; L228-I571 HydrophobicContact CB-CD1 3.55Å; L228-I571 HydrophobicContact CD1-CD1 4.3Å; L228-I582 HydrophobicContact CD1-CG2 4.4Å
229V92.8Very high90Very high43 Ų4349.7 Ų49.726%0.26127%0.273SS..Hα-helixtrans-67.9-47.2175.4177.20000109.9S227 K231 A232 E233 I560 M584S227-V229 PolarHBondContact O-N 2.9Å; S227-V229 PolarHBondContact OG-N 3.48Å; V229-K231 VanDerWaalsContact C-N 3.32Å; V229-K231 PolarHBondContact O-N 3.41Å; V229-A232 WeakPolarHBondContact O-CA 3.31Å; V229-A232 WeakPolarHBondContact O-CB 3.48Å; V229-A232 PolarHBondContact O-N 3.4Å; V229-E233 WeakPolarHBondContact O-CG 3.43Å; V229-E233 PolarHBondContact O-N 2.92Å; V229-I560 HydrophobicContact CG1-CD1 3.89Å; V229-M584 HydrophobicContact CG2-CE 4.29Å; V229-M584 HydrophobicContact CG2-CG 4.13Å; V229-M584 HydrophobicContact CG2-SD 4.27Å
230D92.1Very high90.5Very high60 Ų6050.5 Ų50.532%0.32128%0.277SS..Hα-helixtrans-61.4-41.8177.1-54.1-55.3000111.2L226 S227 A232 E233 N234L226-D230 HydrophobicContact CB-CB 4.17Å; L226-D230 HydrophobicContact CD2-CB 3.97Å; S227-D230 VanDerWaalsContact CB-OD2 3.25Å; S227-D230 WeakPolarHBondContact CB-OD2 3.4Å; S227-D230 PolarHBondContact N-OD2 3.41Å; S227-D230 PolarHBondContact O-N 3.1Å; S227-D230 VanDerWaalsContact O-N 3.13Å; S227-D230 PolarHBondContact OG-N 3.05Å; S227-D230 PolarHBondContact OG-OD2 2.98Å; D230-A232 VanDerWaalsContact C-N 3.28Å; D230-A232 PolarHBondContact O-N 3.48Å; D230-E233 PolarHBondContact O-N 3.26Å; D230-N234 VanDerWaalsContact O-CG 3.27Å; D230-N234 PolarHBondContact O-N 3.36Å
231K92.1Very high91.1Very high24 Ų2448.7 Ų48.710%0.10426%0.258CS..Hα-helixtrans-59.9-39.3173.9-65.5-177-166.5-172.60111.4L226 S227 L228 V229 N235 E292 E553 Y558L226-K231 HydrophobicContact CB-CG 3.96Å; L226-K231 HydrophobicContact CD1-CG 4.37Å; S227-K231 WeakPolarHBondContact O-CG 3.33Å; S227-K231 PolarHBondContact O-N 2.98Å; L228-K231 HydrophobicContact CD2-CD 4.49Å; V229-K231 VanDerWaalsContact C-N 3.32Å; V229-K231 PolarHBondContact O-N 3.41Å; K231-N235 PolarHBondContact O-N 2.95Å; K231-N235 PolarHBondContact O-ND2 2.87Å; K231-E292 VanDerWaalsContact CE-O 3.22Å; K231-E292 WeakPolarHBondContact CE-O 3.29Å; K231-E292 PolarHBondContact NZ-O 3.04Å; K231-E553 IonicContact NZ-OE2 2.79Å; K231-Y558 HydrophobicContact CB-CD2 4.11Å; K231-Y558 HydrophobicContact CD-CD2 4.26Å; K231-Y558 HydrophobicContact CD-CE2 4.21Å
232A93.1Very high91.4Very high0 Ų043 Ų430%024%0.235CC..Hα-helixtrans-72.2-33.317900000113.8L228 V229 D230 Y558 I560L228-A232 WeakPolarHBondContact O-CB 3.2Å; L228-A232 PolarHBondContact O-N 3.25Å; V229-A232 WeakPolarHBondContact O-CA 3.31Å; V229-A232 WeakPolarHBondContact O-CB 3.48Å; V229-A232 PolarHBondContact O-N 3.4Å; D230-A232 VanDerWaalsContact C-N 3.28Å; D230-A232 PolarHBondContact O-N 3.48Å; A232-Y558 VanDerWaalsContact CA-O 3.26Å; A232-Y558 WeakPolarHBondContact CA-O 3.46Å; A232-I560 HydrophobicContact CB-CG1 3.84Å
233E91.6Very high91.8Very high110 Ų11043.8 Ų43.851%0.51423%0.234SC..Hα-helixtrans-69.7-40.5172.9-70.8-176.7170.600111.4V229 D230 N235 A236 I560V229-E233 WeakPolarHBondContact O-CG 3.43Å; V229-E233 PolarHBondContact O-N 2.92Å; D230-E233 PolarHBondContact O-N 3.26Å; E233-N235 VanDerWaalsContact C-N 3.28Å; E233-N235 PolarHBondContact O-N 3.34Å; E233-A236 WeakPolarHBondContact O-CB 3.18Å; E233-A236 PolarHBondContact O-N 3.11Å; E233-I560 HydrophobicContact CG-CD1 4.5Å
234N90.8Very high92.2Very high53 Ų5341.5 Ų41.528%0.28323%0.225SC..Hα-helixtrans-59.4-39.6175.1-71.7-11.7000111.9P142 D230 A236 G237P142-N234 WeakPolarHBondContact CB-OD1 3.47Å; D230-N234 VanDerWaalsContact O-CG 3.27Å; D230-N234 PolarHBondContact O-N 3.36Å; N234-A236 PolarHBondContact O-N 3.28Å; N234-G237 PolarHBondContact O-N 3.02Å
235N91.9Very high92.8Very high24 Ų2435.8 Ų35.813%0.12820%0.2CC..G310 helixtrans-70.2-8.7176.4-74.3-34.1000114.2K231 E233 G237 Y558 Y559K231-N235 PolarHBondContact O-N 2.95Å; K231-N235 PolarHBondContact O-ND2 2.87Å; E233-N235 VanDerWaalsContact C-N 3.28Å; E233-N235 PolarHBondContact O-N 3.34Å; N235-G237 PolarHBondContact O-N 3.24Å; N235-Y558 PolarHBondContact ND2-N 2.72Å; N235-Y558 PolarHBondContact ND2-O 3.43Å; N235-Y559 HydrophobicContact CB-CD1 4.39Å; N235-Y559 HydrophobicContact CB-CE1 3.77Å
236A89.3Confident93.3Very high31 Ų3131.4 Ų31.426%0.25617%0.171SC..G310 helixtrans-73-19177.500000113.4E233 N234 W238 S626 C627E233-A236 WeakPolarHBondContact O-CB 3.18Å; E233-A236 PolarHBondContact O-N 3.11Å; N234-A236 PolarHBondContact O-N 3.28Å; A236-W238 VanDerWaalsContact C-N 3.32Å; A236-W238 PolarHBondContact O-N 3.39Å; A236-S626 WeakPolarHBondContact CB-O 3.28Å; A236-C627 HydrophobicContact CB-CB 3.74Å
237G92.4Very high93.5Very high18 Ų1830.8 Ų30.819%0.18617%0.167CC..G310 helixtrans-80.8-1.3-174.200000115.8K140 N234 N235 L239K140-G237 WeakPolarHBondContact CB-O 3.37Å; K140-G237 PolarHBondContact N-O 2.92Å; N234-G237 PolarHBondContact O-N 3.02Å; N235-G237 PolarHBondContact O-N 3.24Å; G237-L239 PolarHBondContact O-N 2.95Å
238W96.4Very high93.7Very high18 Ų1829.1 Ų29.17%0.06815%0.153CC..BIsolated β-bridgetrans-61.3130.7-178.5-75.4112.6000110.7L139 A236 R259 K261 V631 F635L139-W238 HydrophobicContact CB-CD2 4.17Å; L139-W238 HydrophobicContact CB-CE3 3.76Å; L139-W238 HydrophobicContact CB-CH2 4.26Å; L139-W238 HydrophobicContact CB-CZ3 3.8Å; L139-W238 HydrophobicContact CD1-CD2 4.02Å; L139-W238 HydrophobicContact CD1-CE3 4.44Å; L139-W238 HydrophobicContact CD1-CG 4.11Å; L139-W238 HydrophobicContact CD2-CZ2 4.41Å; A236-W238 VanDerWaalsContact C-N 3.32Å; A236-W238 PolarHBondContact O-N 3.39Å; W238-R259 HydrophobicContact CH2-CB 3.65Å; W238-R259 HydrophobicContact CZ3-CB 4.33Å; W238-K261 HydrophobicContact CD2-CD 4.14Å; W238-K261 HydrophobicContact CD2-CG 4.18Å; W238-K261 HydrophobicContact CE3-CB 4.37Å; W238-K261 HydrophobicContact CE3-CD 3.89Å; W238-K261 HydrophobicContact CE3-CG 4.13Å; W238-K261 HydrophobicContact CH2-CB 3.57Å; W238-K261 HydrophobicContact CH2-CG 3.96Å; W238-K261 HydrophobicContact CZ2-CB 4.05Å; W238-K261 HydrophobicContact CZ2-CG 4.04Å; W238-K261 HydrophobicContact CZ3-CB 3.77Å; W238-K261 HydrophobicContact CZ3-CD 4.13Å; W238-K261 HydrophobicContact CZ3-CG 4.03Å; W238-V631 HydrophobicContact CB-CG1 4.19Å; W238-F635 AromaticContact CD1-CE2 3.55Å; W238-F635 AromaticContact CD1-CZ 3.7Å; W238-F635 HydrophobicContact CD2-CZ 4.48Å; W238-F635 HydrophobicContact CG-CE2 4Å; W238-F635 HydrophobicContact CG-CZ 4.28Å; W238-F635 AromaticContact NE1-CE2 3.98Å; W238-F635 AromaticContact NE1-CZ 3.61Å
239L96.5Very high93.8Very high2 Ų231.4 Ų31.41%0.0117%0.165CC..  trans-71.2148.5174.6-61.2-166.7000110.8V117 L138 K140 G237 S241 L245 I250 L256V117-L239 HydrophobicContact CG1-CB 4.22Å; V117-L239 HydrophobicContact CG2-CB 4.36Å; V117-L239 HydrophobicContact CG2-CD1 4.19Å; L138-L239 HydrophobicContact CB-CD1 3.81Å; L138-L239 HydrophobicContact CB-CG 4.15Å; L138-L239 HydrophobicContact CD1-CD1 4.35Å; L138-L239 PolarHBondContact O-N 2.89Å; K140-L239 HydrophobicContact CD-CD2 4.13Å; K140-L239 VanDerWaalsContact CE-CD2 3.44Å; K140-L239 HydrophobicContact CG-CD2 3.81Å; G237-L239 PolarHBondContact O-N 2.95Å; L239-S241 PolarHBondContact O-N 3.39Å; L239-L245 HydrophobicContact CD1-CD2 3.56Å; L239-I250 HydrophobicContact CD1-CG1 4.32Å; L239-I250 HydrophobicContact CD2-CD1 4.33Å; L239-L256 HydrophobicContact CD1-CD1 3.8Å; L239-L256 HydrophobicContact CD1-CD2 4.39Å
240D95.3Very high93.9Very high21 Ų2129.5 Ų29.511%0.11215%0.154CC..  trans-71.6115.2170.9178.7-8.3000109S242 R243 Q248 K630D240-S242 PolarHBondContact O-N 2.83Å; D240-S242 WeakPolarHBondContact OD1-CB 3.12Å; D240-S242 PolarHBondContact OD1-N 2.79Å; D240-S242 PolarHBondContact OD1-OG 3.18Å; D240-S242 PolarHBondContact OD2-OG 3.35Å; D240-R243 HydrophobicContact CB-CB 4.39Å; D240-R243 PolarHBondContact O-N 2.76Å; D240-R243 WeakPolarHBondContact OD2-CD 3.22Å; D240-R243 WeakPolarHBondContact OD2-CG 3.45Å; D240-Q248 PolarHBondContact O-NE2 3.28Å; D240-K630 HydrophobicContact CB-CG 4.49Å; D240-K630 VanDerWaalsContact OD1-CE 3.23Å; D240-K630 WeakPolarHBondContact OD1-CE 3.43Å; D240-K630 IonicContact OD1-NZ 3.97Å; D240-K630 WeakPolarHBondContact OD2-CE 3.32Å; D240-K630 IonicContact OD2-NZ 3.04Å
241S96.3Very high93.9Very high4 Ų430.6 Ų30.63%0.02816%0.157CC..THydrogen-bonded Turntrans-68.8-18.9-176.4-63.80000113V117 F118 L239 E634V117-S241 PolarHBondContact N-O 2.66Å; F118-S241 WeakPolarHBondContact CB-O 2.98Å; F118-S241 PolarHBondContact N-O 3.12Å; L239-S241 PolarHBondContact O-N 3.39Å; S241-E634 WeakPolarHBondContact CB-OE1 3.4Å; S241-E634 PolarHBondContact N-OE2 2.9Å; S241-E634 PolarHBondContact OG-OE1 2.97Å
242S93.8Very high93.7Very high17 Ų1732.6 Ų32.612%0.11917%0.169CC..THydrogen-bonded Turntrans-89.4-4.1-178.266.40000114.5M116 D240 K630M116-S242 WeakPolarHBondContact CG-O 3.42Å; D240-S242 PolarHBondContact O-N 2.83Å; D240-S242 WeakPolarHBondContact OD1-CB 3.12Å; D240-S242 PolarHBondContact OD1-N 2.79Å; D240-S242 PolarHBondContact OD1-OG 3.18Å; D240-S242 PolarHBondContact OD2-OG 3.35Å; S242-K630 WeakPolarHBondContact OG-CE 3.31Å; S242-K630 PolarHBondContact OG-NZ 3Å
243R93.9Very high93.6Very high84 Ų8435.4 Ų35.432%0.31718%0.184SC..SBendtrans-119.6158.3-179.5-70.1-17369.1-159-2.2111.3V117 D240 E247 Q248V117-R243 WeakPolarHBondContact CG2-O 3.49Å; V117-R243 PolarHBondContact N-O 2.79Å; D240-R243 HydrophobicContact CB-CB 4.39Å; D240-R243 PolarHBondContact O-N 2.76Å; D240-R243 WeakPolarHBondContact OD2-CD 3.22Å; D240-R243 WeakPolarHBondContact OD2-CG 3.45Å; R243-E247 VanDerWaalsContact CA-OE2 3.29Å; R243-E247 WeakPolarHBondContact CA-OE2 3.26Å; R243-E247 HydrophobicContact CB-CB 4.22Å; R243-E247 WeakPolarHBondContact CB-OE2 3.4Å; R243-E247 IonicContact NE-OE2 3.74Å; R243-E247 PolarHBondContact NE-OE2 2.8Å; R243-E247 PolarHBondContact NH2-O 2.78Å; R243-Q248 HydrophobicContact CB-CG 4.28Å; R243-Q248 PolarHBondContact O-NE2 2.83Å
244S96.3Very high93.7Very high1 Ų133 Ų331%0.00718%0.175CC..BIsolated β-bridgetrans-74.7166.7177.470.90000112.6W69 F113 N115 E247 Q248W69-S244 PolarHBondContact NE1-OG 3.01Å; F113-S244 VanDerWaalsContact O-CB 3.3Å; F113-S244 WeakPolarHBondContact O-CB 3.24Å; F113-S244 PolarHBondContact O-OG 2.77Å; N115-S244 VanDerWaalsContact O-CA 3.28Å; N115-S244 WeakPolarHBondContact O-CA 3.45Å; N115-S244 WeakPolarHBondContact O-CB 3.46Å; S244-E247 PolarHBondContact N-OE2 3.4Å; S244-E247 WeakPolarHBondContact O-CB 3.42Å; S244-E247 PolarHBondContact O-N 3.02Å; S244-E247 WeakPolarHBondContact OG-CB 3.48Å; S244-E247 WeakPolarHBondContact OG-CG 3.46Å; S244-E247 PolarHBondContact OG-N 2.85Å; S244-E247 PolarHBondContact OG-OE1 3.12Å; S244-Q248 WeakPolarHBondContact O-CG 3.29Å; S244-Q248 PolarHBondContact O-NE2 3.15Å
245L97Very high93.9Very high0 Ų032.6 Ų32.60%017%0.17CC..SBendtrans-63.6-43.2175.8-69.7173000111.4V111 F113 V117 L138 L239 E247 Q248 I250 L256V111-L245 HydrophobicContact CG2-CD1 3.81Å; F113-L245 HydrophobicContact CB-CB 4.39Å; F113-L245 HydrophobicContact CD1-CB 3.95Å; F113-L245 HydrophobicContact CD2-CB 4.38Å; F113-L245 HydrophobicContact CD2-CD1 3.71Å; F113-L245 HydrophobicContact CE1-CB 4.35Å; F113-L245 HydrophobicContact CE2-CD1 3.81Å; F113-L245 HydrophobicContact CG-CB 3.97Å; F113-L245 HydrophobicContact CG-CD1 4.16Å; F113-L245 HydrophobicContact CZ-CD1 4.33Å; V117-L245 HydrophobicContact CG2-CD2 3.7Å; V117-L245 HydrophobicContact CG2-CG 4.13Å; L138-L245 HydrophobicContact CD1-CD2 3.9Å; L239-L245 HydrophobicContact CD1-CD2 3.56Å; L245-E247 VanDerWaalsContact C-N 3.27Å; L245-E247 PolarHBondContact O-N 2.77Å; L245-Q248 PolarHBondContact O-N 3.24Å; L245-I250 HydrophobicContact CB-CB 4.13Å; L245-I250 HydrophobicContact CB-CG1 4.38Å; L245-I250 HydrophobicContact CB-CG2 4.49Å; L245-I250 HydrophobicContact CD2-CG1 4.18Å; L245-I250 WeakPolarHBondContact O-CB 3.25Å; L245-I250 WeakPolarHBondContact O-CG1 3.31Å; L245-I250 PolarHBondContact O-N 2.82Å; L245-L256 HydrophobicContact CD2-CD1 3.94Å
246M95Very high94.2Very high6 Ų631.6 Ų31.63%0.0317%0.165CC..G310 helixtrans-63.5-34.2-179.6-159.573.5-178.300112.1W62 W69 F113 Q248 D249W62-M246 HydrophobicContact CD2-CG 3.82Å; W62-M246 HydrophobicContact CE3-CB 4.33Å; W62-M246 HydrophobicContact CE3-CG 3.93Å; W62-M246 HydrophobicContact CG-CG 4.49Å; W62-M246 HydrophobicContact CH2-CB 4.03Å; W62-M246 HydrophobicContact CH2-CG 3.83Å; W62-M246 HydrophobicContact CZ2-CB 4.41Å; W62-M246 HydrophobicContact CZ2-CG 3.72Å; W62-M246 HydrophobicContact CZ3-CB 3.99Å; W62-M246 HydrophobicContact CZ3-CG 3.94Å; W69-M246 HydrophobicContact CZ2-CB 3.98Å; W69-M246 HydrophobicContact CZ2-CG 4.13Å; F113-M246 HydrophobicContact CD1-SD 4.24Å; M246-Q248 PolarHBondContact O-N 3.1Å; M246-D249 PolarHBondContact O-N 3.14Å
247E95.1Very high94.6Very high35 Ų3530.7 Ų30.716%0.16416%0.156CC..G310 helixtrans-63.2-20.3174.3-92.8156.7-128.700114.6W62 K67 R243 S244 L245W62-E247 HydrophobicContact CH2-CG 4.04Å; W62-E247 HydrophobicContact CZ3-CG 4.19Å; K67-E247 WeakPolarHBondContact O-CG 3.18Å; R243-E247 VanDerWaalsContact CA-OE2 3.29Å; R243-E247 WeakPolarHBondContact CA-OE2 3.26Å; R243-E247 HydrophobicContact CB-CB 4.22Å; R243-E247 WeakPolarHBondContact CB-OE2 3.4Å; R243-E247 IonicContact NE-OE2 3.74Å; R243-E247 PolarHBondContact NE-OE2 2.8Å; R243-E247 PolarHBondContact NH2-O 2.78Å; S244-E247 PolarHBondContact N-OE2 3.4Å; S244-E247 WeakPolarHBondContact O-CB 3.42Å; S244-E247 PolarHBondContact O-N 3.02Å; S244-E247 WeakPolarHBondContact OG-CB 3.48Å; S244-E247 WeakPolarHBondContact OG-CG 3.46Å; S244-E247 PolarHBondContact OG-N 2.85Å; S244-E247 PolarHBondContact OG-OE1 3.12Å; L245-E247 VanDerWaalsContact C-N 3.27Å; L245-E247 PolarHBondContact O-N 2.77Å
248Q94.4Very high94.8Very high22 Ų2229.9 Ų29.910%0.10315%0.147CC..G310 helixtrans-110.420.2-174.5-61.8-177.868.300112.7K140 D240 R243 S244 L245 M246 I250K140-Q248 PolarHBondContact NZ-O 3Å; D240-Q248 PolarHBondContact O-NE2 3.28Å; R243-Q248 HydrophobicContact CB-CG 4.28Å; R243-Q248 PolarHBondContact O-NE2 2.83Å; S244-Q248 WeakPolarHBondContact O-CG 3.29Å; S244-Q248 PolarHBondContact O-NE2 3.15Å; L245-Q248 PolarHBondContact O-N 3.24Å; M246-Q248 PolarHBondContact O-N 3.1Å; Q248-I250 VanDerWaalsContact C-N 3.25Å; Q248-I250 PolarHBondContact O-N 3.43Å
249D93.9Very high94.9Very high86 Ų8630.5 Ų30.546%0.4615%0.149SC..THydrogen-bonded Turntrans62.925.6177.8-57.1-50.3000114K67 M246K67-D249 IonicContact NZ-OD1 2.68Å; K67-D249 PolarHBondContact NZ-OD1 3.39Å; K67-D249 IonicContact NZ-OD2 3.06Å; K67-D249 PolarHBondContact NZ-OD2 2.93Å; M246-D249 PolarHBondContact O-N 3.14Å
250I95Very high95Very high4 Ų430.7 Ų30.72%0.02115%0.15CC..  trans-79.5130.7172-52.6-54.9000109.3L97 F113 L239 L245 Q248 D254 L256L97-I250 HydrophobicContact CD1-CG2 3.95Å; F113-I250 HydrophobicContact CE1-CB 4.34Å; F113-I250 HydrophobicContact CE1-CG2 3.91Å; F113-I250 WeakPolarHBondContact CE1-O 3.14Å; F113-I250 HydrophobicContact CZ-CG2 4.07Å; L239-I250 HydrophobicContact CD1-CG1 4.32Å; L239-I250 HydrophobicContact CD2-CD1 4.33Å; L245-I250 HydrophobicContact CB-CB 4.13Å; L245-I250 HydrophobicContact CB-CG1 4.38Å; L245-I250 HydrophobicContact CB-CG2 4.49Å; L245-I250 HydrophobicContact CD2-CG1 4.18Å; L245-I250 WeakPolarHBondContact O-CB 3.25Å; L245-I250 WeakPolarHBondContact O-CG1 3.31Å; L245-I250 PolarHBondContact O-N 2.82Å; Q248-I250 VanDerWaalsContact C-N 3.25Å; Q248-I250 PolarHBondContact O-N 3.43Å; I250-D254 HydrophobicContact CG2-CB 4.03Å; I250-L256 HydrophobicContact CD1-CD1 4.42Å; I250-L256 HydrophobicContact CD1-CD2 4.03Å; I250-L256 HydrophobicContact CG1-CD1 4.42Å; I250-L256 HydrophobicContact CG2-CD1 4.18Å
251Q91.4Very high95.1Very high82 Ų8229.7 Ų29.738%0.38315%0.145SC..  trans-105.6166.2177.6-56.2-57.3-59.100111.8D254Q251-D254 PolarHBondContact N-OD2 3Å; Q251-D254 VanDerWaalsContact O-CB 3.29Å; Q251-D254 WeakPolarHBondContact O-CB 3.25Å; Q251-D254 PolarHBondContact O-N 2.78Å
252D88.7Confident95.1Very high66 Ų6629.7 Ų29.735%0.35314%0.144SC..THydrogen-bonded Turntrans-55.8137.5172.1-53.334.8000110.2K95 D254K95-D252 WeakPolarHBondContact CD-OD1 3.44Å; K95-D252 WeakPolarHBondContact CE-OD1 3.37Å; K95-D252 WeakPolarHBondContact CG-OD2 3.24Å; K95-D252 IonicContact NZ-OD1 3.43Å; K95-D252 PolarHBondContact NZ-OD1 3.42Å; K95-D252 IonicContact NZ-OD2 3.51Å; K95-D252 PolarHBondContact NZ-OD2 2.8Å; D252-D254 PolarHBondContact O-N 3.47Å
253D90.8Very high95.1Very high59 Ų5929.8 Ų29.832%0.31614%0.143SC..THydrogen-bonded Turntrans62.210.7-177-63.2-51.3000115.5P96 L98 R108P96-D253 WeakPolarHBondContact CB-OD1 3.09Å; P96-D253 WeakPolarHBondContact CG-OD1 3.25Å; P96-D253 PolarHBondContact O-N 2.8Å; L98-D253 WeakPolarHBondContact CD1-O 3.5Å; R108-D253 IonicContact CZ-OD1 2.57Å; R108-D253 IonicContact NE-OD1 2.68Å; R108-D253 PolarHBondContact NE-OD1 3.48Å; R108-D253 IonicContact NH2-OD1 3.95Å; R108-D253 PolarHBondContact NH2-OD1 3.43Å; R108-D253 IonicContact NH2-OD2 2.75Å; R108-D253 PolarHBondContact NH2-OD2 3.46Å
254D93.7Very high95Very high61 Ų6127.9 Ų27.933%0.32614%0.141SC..  trans-61.8150.5168.5-84.8-12.7000111.3L97 L98 I250 Q251 D252L97-D254 HydrophobicContact CD1-CB 4.46Å; L97-D254 VanDerWaalsContact CD1-O 3.25Å; L97-D254 WeakPolarHBondContact CD1-O 3.2Å; L98-D254 PolarHBondContact N-O 3.31Å; I250-D254 HydrophobicContact CG2-CB 4.03Å; Q251-D254 PolarHBondContact N-OD2 3Å; Q251-D254 VanDerWaalsContact O-CB 3.29Å; Q251-D254 WeakPolarHBondContact O-CB 3.25Å; Q251-D254 PolarHBondContact O-N 2.78Å; D252-D254 PolarHBondContact O-N 3.47Å
255K95.1Very high94.9Very high44 Ų4429 Ų2919%0.19115%0.146CC..EExtended strand (participates in β ladder)trans-93.9123.7177-175.9174.3177.9168.90111.2L98 P141 E159L98-K255 HydrophobicContact CB-CB 4.25Å; L98-K255 CarbonylContact O-C 3.58Å; L98-K255 VanDerWaalsContact O-CA 3.3Å; L98-K255 WeakPolarHBondContact O-CA 2.85Å; P141-K255 WeakPolarHBondContact CD-O 3.46Å; P141-K255 WeakPolarHBondContact CG-O 3.29Å; E159-K255 IonicContact OE1-NZ 3.95Å; E159-K255 PolarHBondContact OE1-NZ 3.38Å; E159-K255 WeakPolarHBondContact OE2-CD 3.1Å; E159-K255 IonicContact OE2-NZ 2.67Å; E159-K255 PolarHBondContact OE2-NZ 3.46Å
256L97.1Very high94.5Very high2 Ų231 Ų311%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-122.8155.3171.2-67.4179.4000110.9L97 L98 L99 Q100 L138 K140 L239 L245 I250L97-L256 HydrophobicContact CD1-CD1 3.93Å; L97-L256 HydrophobicContact CD1-CG 4.15Å; L97-L256 HydrophobicContact CD2-CB 4.42Å; L97-L256 HydrophobicContact CD2-CD1 3.92Å; L97-L256 HydrophobicContact CD2-CG 4.49Å; L97-L256 HydrophobicContact CG-CD1 4.49Å; L98-L256 PolarHBondContact O-N 3.23Å; L99-L256 WeakPolarHBondContact CA-O 3.23Å; L99-L256 HydrophobicContact CD1-CB 4.44Å; Q100-L256 PolarHBondContact N-O 3.11Å; L138-L256 HydrophobicContact CB-CD1 4.34Å; L138-L256 HydrophobicContact CD1-CD1 4.04Å; K140-L256 HydrophobicContact CG-CD2 4.04Å; L239-L256 HydrophobicContact CD1-CD1 3.8Å; L239-L256 HydrophobicContact CD1-CD2 4.39Å; L245-L256 HydrophobicContact CD2-CD1 3.94Å; I250-L256 HydrophobicContact CD1-CD1 4.42Å; I250-L256 HydrophobicContact CD1-CD2 4.03Å; I250-L256 HydrophobicContact CG1-CD1 4.42Å; I250-L256 HydrophobicContact CG2-CD1 4.18Å
257L97.7Very high94Very high13 Ų1332.9 Ų32.97%0.06817%0.165CC..EExtended strand (participates in β ladder)trans-101.2122.7177.1-47.2-176000108.8Q100 L138 L139 P141 R259Q100-L257 HydrophobicContact CB-CD2 3.67Å; Q100-L257 HydrophobicContact CG-CD2 4.29Å; Q100-L257 VanDerWaalsContact OE1-CD2 3.22Å; L138-L257 WeakPolarHBondContact CA-O 3.2Å; L139-L257 HydrophobicContact CB-CB 4.12Å; L139-L257 HydrophobicContact CD2-CD1 4.01Å; L139-L257 HydrophobicContact CG-CD1 4.22Å; L139-L257 PolarHBondContact N-O 3.18Å; L139-L257 WeakPolarHBondContact O-CB 3.14Å; L139-L257 PolarHBondContact O-N 2.84Å; P141-L257 HydrophobicContact CB-CD1 4.47Å; P141-L257 HydrophobicContact CB-CD2 4.29Å; P141-L257 HydrophobicContact CB-CG 4.34Å; L257-R259 HydrophobicContact CB-CG 4.18Å
258L98.1Very high93.6Very high0 Ų032.7 Ų32.70%017%0.165CC..EExtended strand (participates in β ladder)trans-83.6120.6164.9-177.165.3000108L99 Q100 L101 P102 I124 L128 I130 L136 L138L99-L258 HydrophobicContact CD1-CB 3.84Å; L99-L258 HydrophobicContact CD2-CB 3.99Å; L99-L258 HydrophobicContact CD2-CD2 4.14Å; L99-L258 HydrophobicContact CG-CB 3.91Å; Q100-L258 PolarHBondContact O-N 3.46Å; L101-L258 HydrophobicContact CD2-CD2 4Å; P102-L258 WeakPolarHBondContact CD-O 3.36Å; P102-L258 WeakPolarHBondContact CG-O 3.12Å; I124-L258 HydrophobicContact CG2-CD2 4.22Å; L128-L258 HydrophobicContact CD1-CD2 3.8Å; I130-L258 HydrophobicContact CD1-CD2 4.46Å; L136-L258 HydrophobicContact CB-CD1 4.18Å; L136-L258 HydrophobicContact CD2-CD1 4.13Å; L136-L258 HydrophobicContact CD2-CD2 4.24Å; L136-L258 HydrophobicContact CD2-CG 4.07Å; L138-L258 HydrophobicContact CD2-CD1 4.18Å
259R98.1Very high92.9Very high32 Ų3233.8 Ų33.812%0.12117%0.171CC..EExtended strand (participates in β ladder)trans-140149.6-178.8-68.1-64.3-178.9-82.1-0.1110.7Q100 L101 L136 S137 L139 W238 L257 K261 Q283Q100-R259 PolarHBondContact O-NH1 2.81Å; L101-R259 PolarHBondContact O-NH1 2.82Å; L101-R259 VanDerWaalsContact O-NH1 3.15Å; L136-R259 WeakPolarHBondContact CA-O 3.5Å; S137-R259 PolarHBondContact N-O 3.4Å; S137-R259 PolarHBondContact O-N 2.85Å; L139-R259 HydrophobicContact CD2-CG 4.5Å; W238-R259 HydrophobicContact CH2-CB 3.65Å; W238-R259 HydrophobicContact CZ3-CB 4.33Å; L257-R259 HydrophobicContact CB-CG 4.18Å; R259-K261 PolarHBondContact O-N 3.24Å; R259-K261 VanDerWaalsContact O-N 3.1Å; R259-Q283 VanDerWaalsContact CD-OE1 3.24Å
260F98.1Very high92Very high5 Ų532.7 Ų32.72%0.02217%0.169CC..EExtended strand (participates in β ladder)trans-66.9107.5165.5-65.9-93.8000107.9P102 E135 L136 F265 R276 Q279 L280 Q283P102-F260 HydrophobicContact CG-CD2 4.37Å; P102-F260 HydrophobicContact CG-CE2 4.21Å; E135-F260 CarbonylContact O-C 3.58Å; L136-F260 HydrophobicContact CD1-CD1 4.03Å; L136-F260 HydrophobicContact CD1-CE1 3.86Å; L136-F260 HydrophobicContact CD2-CD1 4.31Å; L136-F260 HydrophobicContact CD2-CD2 4.5Å; L136-F260 HydrophobicContact CD2-CE1 4.15Å; L136-F260 HydrophobicContact CD2-CE2 4.32Å; L136-F260 HydrophobicContact CD2-CG 4.49Å; L136-F260 HydrophobicContact CD2-CZ 4.15Å; L136-F260 HydrophobicContact CG-CD1 3.86Å; L136-F260 HydrophobicContact CG-CE1 4.01Å; L136-F260 HydrophobicContact CG-CG 4.25Å; F260-F265 HydrophobicContact CB-CE1 4.22Å; F260-F265 HydrophobicContact CD1-CD1 4.39Å; F260-F265 HydrophobicContact CD1-CE1 4.07Å; F260-F265 HydrophobicContact CG-CE1 4.4Å; F260-R276 HydrophobicContact CE1-CG 4.26Å; F260-R276 HydrophobicContact CZ-CG 4.29Å; F260-Q279 HydrophobicContact CE2-CB 4.12Å; F260-Q279 HydrophobicContact CZ-CB 4.47Å; F260-L280 HydrophobicContact CB-CD1 4.39Å; F260-L280 HydrophobicContact CD1-CD1 4.08Å; F260-L280 HydrophobicContact CD2-CB 4.45Å; F260-L280 HydrophobicContact CD2-CD1 3.83Å; F260-L280 HydrophobicContact CE1-CB 4.35Å; F260-L280 HydrophobicContact CE1-CD1 4.3Å; F260-L280 HydrophobicContact CE2-CB 3.85Å; F260-L280 HydrophobicContact CE2-CD1 4.08Å; F260-L280 HydrophobicContact CG-CD1 3.84Å; F260-L280 HydrophobicContact CZ-CB 3.78Å; F260-L280 HydrophobicContact CZ-CD1 4.31Å; F260-Q283 PolarHBondContact O-NE2 2.91Å
261K97.6Very high91Very high1 Ų138.6 Ų38.60%0.00419%0.194CC..  trans-80.5-41.1-175.8179.2172.6180168.80111.3E135 S137 W238 R259 E634 F635E135-K261 PolarHBondContact O-N 3.21Å; S137-K261 VanDerWaalsContact CB-CD 3.47Å; W238-K261 HydrophobicContact CD2-CD 4.14Å; W238-K261 HydrophobicContact CD2-CG 4.18Å; W238-K261 HydrophobicContact CE3-CB 4.37Å; W238-K261 HydrophobicContact CE3-CD 3.89Å; W238-K261 HydrophobicContact CE3-CG 4.13Å; W238-K261 HydrophobicContact CH2-CB 3.57Å; W238-K261 HydrophobicContact CH2-CG 3.96Å; W238-K261 HydrophobicContact CZ2-CB 4.05Å; W238-K261 HydrophobicContact CZ2-CG 4.04Å; W238-K261 HydrophobicContact CZ3-CB 3.77Å; W238-K261 HydrophobicContact CZ3-CD 4.13Å; W238-K261 HydrophobicContact CZ3-CG 4.03Å; R259-K261 PolarHBondContact O-N 3.24Å; R259-K261 VanDerWaalsContact O-N 3.1Å; K261-E634 VanDerWaalsContact NZ-CD 3.29Å; K261-E634 IonicContact NZ-OE1 3.69Å; K261-E634 PolarHBondContact NZ-OE1 3.47Å; K261-E634 IonicContact NZ-OE2 2.71Å; K261-F635 HydrophobicContact CD-CE2 4.37Å; K261-F635 HydrophobicContact CD-CZ 4.15Å; K261-F635 HydrophobicContact CG-CE1 3.91Å; K261-F635 HydrophobicContact CG-CE2 4.29Å; K261-F635 HydrophobicContact CG-CZ 3.58Å
262Y96.9Very high90.2Very high4 Ų437.6 Ų37.62%0.01619%0.187CC..SBendtrans-109.8116.1-176.4-57.2-79.9000110.9E134 E135 V264 E634 F635 Y639 L642E134-Y262 VanDerWaalsContact O-CD2 3.3Å; E134-Y262 WeakPolarHBondContact O-CD2 3.43Å; E135-Y262 PolarHBondContact O-N 3.36Å; E135-Y262 VanDerWaalsContact O-N 3.16Å; Y262-V264 PolarHBondContact O-N 2.86Å; Y262-E634 PolarHBondContact OH-O 2.9Å; Y262-F635 HydrophobicContact CD1-CD1 4.43Å; Y262-F635 HydrophobicContact CE1-CD1 4.15Å; Y262-Y639 AromaticContact CD1-CD1 3.85Å; Y262-Y639 HydrophobicContact CD1-CD1 3.85Å; Y262-Y639 HydrophobicContact CD1-CD2 4.4Å; Y262-Y639 AromaticContact CD1-CE1 3.82Å; Y262-Y639 HydrophobicContact CD1-CE1 3.82Å; Y262-Y639 HydrophobicContact CD1-CE2 4.37Å; Y262-Y639 HydrophobicContact CD1-CG 4.15Å; Y262-Y639 HydrophobicContact CG-CE1 4.41Å; Y262-L642 HydrophobicContact CD1-CD1 3.88Å; Y262-L642 HydrophobicContact CD2-CD1 3.74Å; Y262-L642 HydrophobicContact CG-CD1 3.33Å
263N94.1Very high90Very high19 Ų1934.4 Ų34.410%0.10217%0.17CC..SBendtrans-78.145.5-177.6-56.191.2000113.9F265 F554N263-F265 HydrophobicContact CB-CZ 4.41Å; N263-F554 HydrophobicContact CB-CE1 4.02Å; N263-F554 HydrophobicContact CB-CE2 4.24Å; N263-F554 HydrophobicContact CB-CZ 3.64Å
264V91.8Very high89.7Confident43 Ų4333.7 Ų33.726%0.26117%0.172SC..  trans-131.190.6174.9-1740000108.8Y262 F266 Y576 Y639 R645Y262-V264 PolarHBondContact O-N 2.86Å; V264-F266 PolarHBondContact O-N 2.68Å; V264-Y576 HydrophobicContact CG2-CD2 4.16Å; V264-Y576 HydrophobicContact CG2-CG 3.79Å; V264-Y639 HydrophobicContact CG2-CD1 4.17Å; V264-Y639 HydrophobicContact CG2-CE1 4.07Å; V264-R645 PolarHBondContact O-NH2 3.25Å
265F93.3Very high89.4Confident25 Ų2530.9 Ų30.911%0.1116%0.158CC..  trans-87.5113.8-175.5-42.8-56.5000110.1E135 F260 N263 L268 L280 W548 Q549 F554E135-F265 WeakPolarHBondContact OE1-CA 3.38Å; F260-F265 HydrophobicContact CB-CE1 4.22Å; F260-F265 HydrophobicContact CD1-CD1 4.39Å; F260-F265 HydrophobicContact CD1-CE1 4.07Å; F260-F265 HydrophobicContact CG-CE1 4.4Å; N263-F265 HydrophobicContact CB-CZ 4.41Å; F265-L268 HydrophobicContact CB-CD1 3.66Å; F265-L268 HydrophobicContact CB-CD2 4.23Å; F265-L268 HydrophobicContact CB-CG 3.81Å; F265-L268 HydrophobicContact CD2-CD1 4.33Å; F265-L268 HydrophobicContact CG-CD1 4.27Å; F265-L280 HydrophobicContact CB-CD2 4.48Å; F265-L280 HydrophobicContact CD1-CD1 4.33Å; F265-L280 HydrophobicContact CD1-CD2 4.01Å; F265-L280 HydrophobicContact CD2-CD1 4.49Å; F265-L280 HydrophobicContact CD2-CD2 3.67Å; F265-L280 HydrophobicContact CE1-CD1 3.71Å; F265-L280 HydrophobicContact CE1-CD2 4.21Å; F265-L280 HydrophobicContact CE2-CD1 3.91Å; F265-L280 HydrophobicContact CE2-CD2 3.89Å; F265-L280 HydrophobicContact CE2-CG 4.43Å; F265-L280 HydrophobicContact CG-CD2 3.77Å; F265-L280 HydrophobicContact CZ-CD1 3.5Å; F265-L280 VanDerWaalsContact CZ-CD1 3.5Å; F265-L280 HydrophobicContact CZ-CD2 4.17Å; F265-L280 HydrophobicContact CZ-CG 4.44Å; F265-W548 HydrophobicContact CE2-CH2 4.4Å; F265-W548 AromaticContact CE2-CZ3 3.72Å; F265-W548 HydrophobicContact CE2-CZ3 3.72Å; F265-W548 HydrophobicContact CZ-CH2 4.1Å; F265-W548 AromaticContact CZ-CZ3 3.83Å; F265-W548 HydrophobicContact CZ-CZ3 3.83Å; F265-Q549 VanDerWaalsContact CD2-NE2 3.28Å; F265-F554 HydrophobicContact CE2-CE2 4.4Å; F265-F554 AromaticContact CE2-CZ 3.9Å; F265-F554 HydrophobicContact CE2-CZ 3.9Å; F265-F554 HydrophobicContact CZ-CZ 4.38Å
266F87.9Confident89.3Confident41 Ų4128.8 Ų28.818%0.1815%0.149CC..  trans-92.5134.4178-174.5-98000110.2E135 V264 L268 R276 R645 K647E135-F266 PolarHBondContact OE1-N 2.94Å; V264-F266 PolarHBondContact O-N 2.68Å; F266-L268 PolarHBondContact O-N 3.48Å; F266-R276 PolarHBondContact O-NH1 3.3Å; F266-R276 VanDerWaalsContact O-NH1 3.07Å; F266-R276 PolarHBondContact O-NH2 3.46Å; F266-R645 HydrophobicContact CD2-CB 4.42Å; F266-R645 HydrophobicContact CE2-CB 4.42Å; F266-K647 HydrophobicContact CE2-CG 4.23Å; F266-K647 HydrophobicContact CZ-CG 3.64Å
267D85.4Confident89.2Confident46 Ų4628.7 Ų28.725%0.24615%0.148CC..  trans49.554.8172.4-169.759000113.6R131 N269 D273 R276 K647R131-D267 IonicContact CZ-OD2 3.94Å; R131-D267 IonicContact NH1-OD2 3.88Å; R131-D267 PolarHBondContact NH2-O 3.31Å; R131-D267 IonicContact NH2-OD2 3.55Å; R131-D267 PolarHBondContact NH2-OD2 3.02Å; R131-D267 VanDerWaalsContact NH2-OD2 3.12Å; D267-N269 PolarHBondContact O-N 2.92Å; D267-N269 VanDerWaalsContact O-N 3.1Å; D267-D273 VanDerWaalsContact O-OD2 3.14Å; D267-R276 PolarHBondContact O-NH1 3.29Å; D267-K647 IonicContact OD1-NZ 3.95Å
268L86Confident89Confident32 Ų3228.1 Ų28.117%0.16815%0.145CC..  trans-68.9105170.2-73.6174000108.8F265 F266 R276 I277 L280 M542F265-L268 HydrophobicContact CB-CD1 3.66Å; F265-L268 HydrophobicContact CB-CD2 4.23Å; F265-L268 HydrophobicContact CB-CG 3.81Å; F265-L268 HydrophobicContact CD2-CD1 4.33Å; F265-L268 HydrophobicContact CG-CD1 4.27Å; F266-L268 PolarHBondContact O-N 3.48Å; L268-R276 HydrophobicContact CD2-CG 4.37Å; L268-I277 HydrophobicContact CD2-CG1 4.26Å; L268-L280 HydrophobicContact CD1-CD2 3.88Å; L268-L280 HydrophobicContact CD2-CD2 4.1Å; L268-M542 HydrophobicContact CB-CE 3.77Å; L268-M542 HydrophobicContact CB-SD 4.28Å; L268-M542 HydrophobicContact CD1-CE 4.33Å; L268-M542 HydrophobicContact CD1-SD 4.43Å
269N79.6Confident88.9Confident44 Ų4428.2 Ų28.224%0.23515%0.146CC..  trans-113.3111.3-174.4-170.1-30.2000111.3D267 K271 Y272 D273D267-N269 PolarHBondContact O-N 2.92Å; D267-N269 VanDerWaalsContact O-N 3.1Å; N269-K271 PolarHBondContact O-N 3.36Å; N269-K271 WeakPolarHBondContact OD1-CB 3.08Å; N269-K271 PolarHBondContact OD1-N 2.94Å; N269-Y272 HydrophobicContact CB-CD2 3.89Å; N269-Y272 VanDerWaalsContact CG-CD2 3.45Å; N269-Y272 VanDerWaalsContact ND2-CD2 3.28Å; N269-Y272 WeakPolarHBondContact ND2-CD2 3.45Å; N269-Y272 WeakPolarHBondContact ND2-CE2 3.49Å; N269-Y272 PolarHBondContact O-N 3.24Å; N269-D273 PolarHBondContact N-OD2 3.22Å; N269-D273 VanDerWaalsContact O-CB 3.27Å; N269-D273 WeakPolarHBondContact O-CB 3.28Å; N269-D273 PolarHBondContact O-N 3.2Å
270P76.7Confident88.9Confident63 Ų6326.7 Ų26.741%0.40914%0.14SC..THydrogen-bonded Turntrans-50.6-30.6178.4-31.138.3000115.6I277 I538 M542P270-I277 HydrophobicContact CG-CD1 4.47Å; P270-I538 HydrophobicContact CB-CG1 3.77Å; P270-I538 HydrophobicContact CB-CG2 4.03Å; P270-I538 HydrophobicContact CG-CG1 4.42Å; P270-M542 HydrophobicContact CG-CG 4.49Å
271K73.9Confident88.9Confident128 Ų12826.5 Ų26.556%0.55714%0.139SC*.THydrogen-bonded Turntrans-70.2-32.3-179.5-169.9173.9175.2178.90112.6N269 E330N269-K271 PolarHBondContact O-N 3.36Å; N269-K271 WeakPolarHBondContact OD1-CB 3.08Å; N269-K271 PolarHBondContact OD1-N 2.94Å; K271-E330 IonicContact NZ-OE1 3.4Å; K271-E330 PolarHBondContact NZ-OE1 3.16Å
272Y74Confident88.8Confident61 Ų6126.5 Ų26.524%0.23914%0.139CC..THydrogen-bonded Turntrans-116.2-25.4-170.3-49.2-52.4000113.5M193 N269M193-Y272 HydrophobicContact SD-CD1 4.05Å; M193-Y272 HydrophobicContact SD-CE1 3.36Å; M193-Y272 WeakPolarHBondContact SD-CE1 3.48Å; N269-Y272 HydrophobicContact CB-CD2 3.89Å; N269-Y272 VanDerWaalsContact CG-CD2 3.45Å; N269-Y272 VanDerWaalsContact ND2-CD2 3.28Å; N269-Y272 WeakPolarHBondContact ND2-CD2 3.45Å; N269-Y272 WeakPolarHBondContact ND2-CE2 3.49Å; N269-Y272 PolarHBondContact O-N 3.24Å
273D83.9Confident88.8Confident0 Ų027.5 Ų27.50%014%0.144CC..  trans-105.330.6-167.6-71.7-34.3000113R131 D267 N269 V275 R276 I277R131-D273 IonicContact CZ-OD1 3.83Å; R131-D273 IonicContact CZ-OD2 3.79Å; R131-D273 IonicContact NE-OD1 3.67Å; R131-D273 PolarHBondContact NE-OD1 2.95Å; R131-D273 IonicContact NE-OD2 3.54Å; R131-D273 IonicContact NH2-OD1 3.12Å; R131-D273 PolarHBondContact NH2-OD1 3.47Å; R131-D273 IonicContact NH2-OD2 2.73Å; R131-D273 PolarHBondContact NH2-OD2 2.98Å; D267-D273 VanDerWaalsContact O-OD2 3.14Å; N269-D273 PolarHBondContact N-OD2 3.22Å; N269-D273 VanDerWaalsContact O-CB 3.27Å; N269-D273 WeakPolarHBondContact O-CB 3.28Å; N269-D273 PolarHBondContact O-N 3.2Å; D273-V275 VanDerWaalsContact C-N 3.3Å; D273-V275 PolarHBondContact O-N 2.96Å; D273-R276 HydrophobicContact CB-CB 4.01Å; D273-R276 PolarHBondContact O-N 3.47Å; D273-R276 IonicContact OD1-NH1 3.22Å; D273-R276 IonicContact OD2-NH1 2.78Å; D273-R276 PolarHBondContact OD2-NH1 3.03Å; D273-I277 HydrophobicContact CB-CD1 3.81Å; D273-I277 HydrophobicContact CB-CG1 3.87Å; D273-I277 VanDerWaalsContact O-CB 3.25Å; D273-I277 WeakPolarHBondContact O-CB 3.46Å; D273-I277 VanDerWaalsContact O-CG1 3.27Å; D273-I277 WeakPolarHBondContact O-CG1 3.32Å; D273-I277 PolarHBondContact O-N 3.47Å
274A83.9Confident89Confident43 Ų4326.6 Ų26.636%0.35514%0.139SC..Hα-helixtrans-53-45.7-177.800000112.8A208 T278A208-A274 HydrophobicContact CB-CB 4.2Å; A274-T278 VanDerWaalsContact O-CB 3.28Å; A274-T278 WeakPolarHBondContact O-CB 3.35Å; A274-T278 PolarHBondContact O-N 2.99Å; A274-T278 VanDerWaalsContact O-N 3.11Å; A274-T278 PolarHBondContact O-OG1 3.4Å
275V87.4Confident89.2Confident3 Ų324.7 Ų24.72%0.01813%0.127CC..Hα-helixtrans-69.8-50176179.90000111.3L128 N129 I130 N205 L207 A208 D273 I277 T278 Q279L128-V275 WeakPolarHBondContact O-CG1 3.47Å; N129-V275 HydrophobicContact CB-CG2 4.48Å; I130-V275 HydrophobicContact CD1-CG1 4.48Å; I130-V275 HydrophobicContact CG1-CG1 3.89Å; N205-V275 HydrophobicContact CB-CG2 4.38Å; L207-V275 HydrophobicContact CB-CB 4.5Å; L207-V275 HydrophobicContact CB-CG1 3.59Å; L207-V275 HydrophobicContact CB-CG2 4.16Å; L207-V275 HydrophobicContact CD1-CG1 4.33Å; A208-V275 HydrophobicContact CB-CG2 4.12Å; D273-V275 VanDerWaalsContact C-N 3.3Å; D273-V275 PolarHBondContact O-N 2.96Å; V275-I277 PolarHBondContact O-N 3.24Å; V275-T278 PolarHBondContact O-N 3.34Å; V275-T278 VanDerWaalsContact O-N 3.15Å; V275-Q279 HydrophobicContact CG1-CG 4.11Å; V275-Q279 WeakPolarHBondContact O-CG 3.32Å; V275-Q279 PolarHBondContact O-N 2.68Å
276R94Very high89.3Confident0 Ų024.4 Ų24.40%013%0.125CC..Hα-helixtrans-57.6-47.3-179.6176.7-175.2179.2-148.81.5111.9I130 R131 E135 F260 F266 D267 L268 D273 T278 Q279 L280I130-R276 HydrophobicContact CG2-CB 4.09Å; I130-R276 HydrophobicContact CG2-CG 4.12Å; R131-R276 WeakPolarHBondContact O-CD 3.43Å; R131-R276 PolarHBondContact O-NE 2.94Å; E135-R276 IonicContact OE1-NH2 3.82Å; E135-R276 PolarHBondContact OE1-NH2 2.95Å; E135-R276 IonicContact OE2-CZ 3.65Å; E135-R276 IonicContact OE2-NE 3.68Å; E135-R276 IonicContact OE2-NH2 2.79Å; E135-R276 PolarHBondContact OE2-NH2 2.83Å; F260-R276 HydrophobicContact CE1-CG 4.26Å; F260-R276 HydrophobicContact CZ-CG 4.29Å; F266-R276 PolarHBondContact O-NH1 3.3Å; F266-R276 VanDerWaalsContact O-NH1 3.07Å; F266-R276 PolarHBondContact O-NH2 3.46Å; D267-R276 PolarHBondContact O-NH1 3.29Å; L268-R276 HydrophobicContact CD2-CG 4.37Å; D273-R276 HydrophobicContact CB-CB 4.01Å; D273-R276 PolarHBondContact O-N 3.47Å; D273-R276 IonicContact OD1-NH1 3.22Å; D273-R276 IonicContact OD2-NH1 2.78Å; D273-R276 PolarHBondContact OD2-NH1 3.03Å; R276-T278 VanDerWaalsContact C-N 3.34Å; R276-Q279 PolarHBondContact O-N 2.77Å; R276-L280 VanDerWaalsContact O-CB 3.22Å; R276-L280 WeakPolarHBondContact O-CB 3.41Å; R276-L280 PolarHBondContact O-N 3.05Å
277I94.1Very high89.6Confident0 Ų022.9 Ų22.90%012%0.12CC..Hα-helixtrans-62.5-42.4176.7-69164.8000110.2L268 P270 D273 V275 L280 Y281 I538 K541 M542 I545L268-I277 HydrophobicContact CD2-CG1 4.26Å; P270-I277 HydrophobicContact CG-CD1 4.47Å; D273-I277 HydrophobicContact CB-CD1 3.81Å; D273-I277 HydrophobicContact CB-CG1 3.87Å; D273-I277 VanDerWaalsContact O-CB 3.25Å; D273-I277 WeakPolarHBondContact O-CB 3.46Å; D273-I277 VanDerWaalsContact O-CG1 3.27Å; D273-I277 WeakPolarHBondContact O-CG1 3.32Å; D273-I277 PolarHBondContact O-N 3.47Å; V275-I277 PolarHBondContact O-N 3.24Å; I277-L280 PolarHBondContact O-N 3.21Å; I277-Y281 VanDerWaalsContact O-CB 3.27Å; I277-Y281 WeakPolarHBondContact O-CB 3.5Å; I277-Y281 PolarHBondContact O-N 2.71Å; I277-I538 HydrophobicContact CB-CD1 3.95Å; I277-I538 HydrophobicContact CD1-CD1 3.89Å; I277-I538 HydrophobicContact CD1-CG1 4.2Å; I277-I538 HydrophobicContact CG2-CD1 3.56Å; I277-K541 HydrophobicContact CG2-CB 3.93Å; I277-M542 HydrophobicContact CD1-CG 4.4Å; I277-M542 HydrophobicContact CD1-SD 3.83Å; I277-M542 HydrophobicContact CG1-SD 3.88Å; I277-M542 HydrophobicContact CG2-CG 4.22Å; I277-M542 HydrophobicContact CG2-SD 3.92Å; I277-I545 HydrophobicContact CG2-CD1 4Å
278T94.1Very high90.1Very high1 Ų120.8 Ų20.81%0.00611%0.109CC..Hα-helixtrans-65.3-48179-59.80000111.8A208 A274 V275 R276 L280 Y281 E282 K541A208-T278 WeakPolarHBondContact O-CG2 3.48Å; A208-T278 PolarHBondContact O-OG1 3.4Å; A274-T278 VanDerWaalsContact O-CB 3.28Å; A274-T278 WeakPolarHBondContact O-CB 3.35Å; A274-T278 PolarHBondContact O-N 2.99Å; A274-T278 VanDerWaalsContact O-N 3.11Å; A274-T278 PolarHBondContact O-OG1 3.4Å; V275-T278 PolarHBondContact O-N 3.34Å; V275-T278 VanDerWaalsContact O-N 3.15Å; R276-T278 VanDerWaalsContact C-N 3.34Å; T278-L280 VanDerWaalsContact C-N 3.29Å; T278-L280 PolarHBondContact O-N 2.94Å; T278-Y281 WeakPolarHBondContact O-CB 3.43Å; T278-Y281 PolarHBondContact O-N 2.84Å; T278-E282 WeakPolarHBondContact O-CB 3.41Å; T278-E282 WeakPolarHBondContact O-CG 3.26Å; T278-E282 PolarHBondContact O-N 3.42Å; T278-K541 PolarHBondContact OG1-NZ 3.08Å
279Q96.4Very high90.4Very high2 Ų219.4 Ų19.41%0.00910%0.102CC..Hα-helixtrans-64.4-35.7177.5-64.5-58.5-41.400111.8P102 N103 I130 L207 F260 V275 R276 E282 Q283P102-Q279 HydrophobicContact CB-CB 4.26Å; P102-Q279 VanDerWaalsContact CB-O 3.25Å; P102-Q279 WeakPolarHBondContact CB-O 3.36Å; P102-Q279 HydrophobicContact CG-CB 4.15Å; N103-Q279 PolarHBondContact ND2-NE2 3.45Å; I130-Q279 HydrophobicContact CD1-CG 4.41Å; L207-Q279 PolarHBondContact O-NE2 3.25Å; L207-Q279 VanDerWaalsContact O-NE2 3.14Å; F260-Q279 HydrophobicContact CE2-CB 4.12Å; F260-Q279 HydrophobicContact CZ-CB 4.47Å; V275-Q279 HydrophobicContact CG1-CG 4.11Å; V275-Q279 WeakPolarHBondContact O-CG 3.32Å; V275-Q279 PolarHBondContact O-N 2.68Å; R276-Q279 PolarHBondContact O-N 2.77Å; Q279-E282 PolarHBondContact O-N 2.78Å; Q279-Q283 PolarHBondContact O-N 2.92Å
280L97.9Very high91Very high0 Ų018.2 Ų18.20%010%0.095CC..Hα-helixtrans-68-43.5175.3-176.957.7000112.2F260 F265 L268 R276 I277 T278 E282 Q283 A284 I545 W548F260-L280 HydrophobicContact CB-CD1 4.39Å; F260-L280 HydrophobicContact CD1-CD1 4.08Å; F260-L280 HydrophobicContact CD2-CB 4.45Å; F260-L280 HydrophobicContact CD2-CD1 3.83Å; F260-L280 HydrophobicContact CE1-CB 4.35Å; F260-L280 HydrophobicContact CE1-CD1 4.3Å; F260-L280 HydrophobicContact CE2-CB 3.85Å; F260-L280 HydrophobicContact CE2-CD1 4.08Å; F260-L280 HydrophobicContact CG-CD1 3.84Å; F260-L280 HydrophobicContact CZ-CB 3.78Å; F260-L280 HydrophobicContact CZ-CD1 4.31Å; F265-L280 HydrophobicContact CB-CD2 4.48Å; F265-L280 HydrophobicContact CD1-CD1 4.33Å; F265-L280 HydrophobicContact CD1-CD2 4.01Å; F265-L280 HydrophobicContact CD2-CD1 4.49Å; F265-L280 HydrophobicContact CD2-CD2 3.67Å; F265-L280 HydrophobicContact CE1-CD1 3.71Å; F265-L280 HydrophobicContact CE1-CD2 4.21Å; F265-L280 HydrophobicContact CE2-CD1 3.91Å; F265-L280 HydrophobicContact CE2-CD2 3.89Å; F265-L280 HydrophobicContact CE2-CG 4.43Å; F265-L280 HydrophobicContact CG-CD2 3.77Å; F265-L280 HydrophobicContact CZ-CD1 3.5Å; F265-L280 VanDerWaalsContact CZ-CD1 3.5Å; F265-L280 HydrophobicContact CZ-CD2 4.17Å; F265-L280 HydrophobicContact CZ-CG 4.44Å; L268-L280 HydrophobicContact CD1-CD2 3.88Å; L268-L280 HydrophobicContact CD2-CD2 4.1Å; R276-L280 VanDerWaalsContact O-CB 3.22Å; R276-L280 WeakPolarHBondContact O-CB 3.41Å; R276-L280 PolarHBondContact O-N 3.05Å; I277-L280 PolarHBondContact O-N 3.21Å; T278-L280 VanDerWaalsContact C-N 3.29Å; T278-L280 PolarHBondContact O-N 2.94Å; L280-E282 VanDerWaalsContact C-N 3.34Å; L280-Q283 PolarHBondContact O-N 3.19Å; L280-A284 WeakPolarHBondContact O-CB 3.21Å; L280-A284 PolarHBondContact O-N 3.5Å; L280-I545 HydrophobicContact CB-CD1 4.15Å; L280-I545 HydrophobicContact CD2-CD1 4.02Å; L280-I545 HydrophobicContact CD2-CG1 4.49Å; L280-I545 HydrophobicContact CD2-CG2 3.99Å; L280-I545 HydrophobicContact CG-CD1 3.96Å; L280-I545 HydrophobicContact CG-CG1 4.21Å; L280-I545 HydrophobicContact CG-CG2 4.35Å; L280-W548 HydrophobicContact CD1-CH2 4.36Å; L280-W548 HydrophobicContact CD1-CZ3 3.88Å
281Y97.4Very high91.8Very high0 Ų016.2 Ų16.20%08%0.08CC..Hα-helixtrans-57.6-47171.9155.8-104.8000111I277 T278 Q283 A284 R285 I310 K541 F544I277-Y281 VanDerWaalsContact O-CB 3.27Å; I277-Y281 WeakPolarHBondContact O-CB 3.5Å; I277-Y281 PolarHBondContact O-N 2.71Å; T278-Y281 WeakPolarHBondContact O-CB 3.43Å; T278-Y281 PolarHBondContact O-N 2.84Å; Y281-Q283 PolarHBondContact O-N 3.41Å; Y281-A284 PolarHBondContact O-N 3.3Å; Y281-R285 HydrophobicContact CE2-CB 4.36Å; Y281-R285 WeakPolarHBondContact O-CB 3.46Å; Y281-R285 PolarHBondContact O-N 3Å; Y281-R285 WeakPolarHBondContact OH-CD 3.45Å; Y281-I310 HydrophobicContact CD2-CD1 4.1Å; Y281-I310 HydrophobicContact CE1-CD1 4.4Å; Y281-I310 HydrophobicContact CE1-CG2 4.17Å; Y281-I310 HydrophobicContact CE2-CD1 3.47Å; Y281-I310 VanDerWaalsContact CE2-CD1 3.47Å; Y281-K541 HydrophobicContact CD1-CG 4.15Å; Y281-K541 HydrophobicContact CD2-CG 4.45Å; Y281-K541 HydrophobicContact CG-CB 4.34Å; Y281-K541 HydrophobicContact CG-CG 4.01Å; Y281-F544 HydrophobicContact CD2-CB 3.91Å; Y281-F544 AromaticContact CD2-CD1 3.81Å; Y281-F544 HydrophobicContact CD2-CD1 3.81Å; Y281-F544 HydrophobicContact CD2-CD2 4.27Å; Y281-F544 HydrophobicContact CD2-CE1 4.46Å; Y281-F544 AromaticContact CD2-CG 3.72Å; Y281-F544 HydrophobicContact CD2-CG 3.72Å; Y281-F544 HydrophobicContact CE2-CB 4.19Å; Y281-F544 HydrophobicContact CE2-CD1 4.1Å; Y281-F544 AromaticContact CE2-CD2 3.81Å; Y281-F544 HydrophobicContact CE2-CD2 3.81Å; Y281-F544 HydrophobicContact CE2-CE2 4.24Å; Y281-F544 AromaticContact CE2-CG 3.76Å; Y281-F544 HydrophobicContact CE2-CG 3.76Å
282E96.8Very high92.6Very high1 Ų114.4 Ų14.41%0.0057%0.074CC..Hα-helixtrans-63.1-41.1178.8-73.7-71175.400111.5N103 Q211 T278 Q279 L280 A284 R285 W286N103-E282 HydrophobicContact CB-CB 3.91Å; N103-E282 HydrophobicContact CB-CG 3.78Å; Q211-E282 PolarHBondContact N-OE1 2.93Å; T278-E282 WeakPolarHBondContact O-CB 3.41Å; T278-E282 WeakPolarHBondContact O-CG 3.26Å; T278-E282 PolarHBondContact O-N 3.42Å; Q279-E282 PolarHBondContact O-N 2.78Å; L280-E282 VanDerWaalsContact C-N 3.34Å; E282-A284 PolarHBondContact O-N 2.89Å; E282-R285 PolarHBondContact O-N 3.16Å; E282-R285 IonicContact OE2-CZ 3.82Å; E282-R285 IonicContact OE2-NE 3.62Å; E282-R285 PolarHBondContact OE2-NE 2.99Å; E282-R285 IonicContact OE2-NH2 2.81Å; E282-R285 PolarHBondContact OE2-NH2 3.41Å; E282-W286 PolarHBondContact O-N 3.47Å
283Q97.2Very high93.5Very high26 Ų2612.1 Ų12.112%0.1217%0.066CC..Hα-helixtrans-60.1-45.9173.7-160169.6-72.100111.7P102 R259 F260 Q279 L280 Y281 W286 A287P102-Q283 HydrophobicContact CB-CB 4Å; R259-Q283 VanDerWaalsContact CD-OE1 3.24Å; F260-Q283 PolarHBondContact O-NE2 2.91Å; Q279-Q283 PolarHBondContact O-N 2.92Å; L280-Q283 PolarHBondContact O-N 3.19Å; Y281-Q283 PolarHBondContact O-N 3.41Å; Q283-W286 PolarHBondContact O-N 3.41Å; Q283-A287 WeakPolarHBondContact O-CB 3.39Å; Q283-A287 PolarHBondContact O-N 3.49Å
284A97.3Very high93.8Very high0 Ų015.7 Ų15.70%09%0.085CC..Hα-helixtrans-63.9-42.2177.900000111.4L280 Y281 E282 A287 I288 F544 W548L280-A284 WeakPolarHBondContact O-CB 3.21Å; L280-A284 PolarHBondContact O-N 3.5Å; Y281-A284 PolarHBondContact O-N 3.3Å; E282-A284 PolarHBondContact O-N 2.89Å; A284-A287 PolarHBondContact O-N 3.27Å; A284-I288 VanDerWaalsContact O-CG1 3.31Å; A284-I288 WeakPolarHBondContact O-CG1 3.39Å; A284-I288 PolarHBondContact O-N 3.29Å; A284-F544 HydrophobicContact CB-CD1 4.08Å; A284-F544 HydrophobicContact CB-CE1 3.85Å; A284-W548 HydrophobicContact CB-CB 4.16Å; A284-W548 HydrophobicContact CB-CD2 3.51Å; A284-W548 HydrophobicContact CB-CE3 3.57Å; A284-W548 HydrophobicContact CB-CG 3.78Å; A284-W548 HydrophobicContact CB-CZ3 4.08Å
285R96Very high94.1Very high2 Ų214.7 Ų14.71%0.0088%0.075CC..Hα-helixtrans-59.6-49.4177.5-173.9-177.569.881.34.1110.6N213 Y281 E282 A287 I288 M289 Q307 F544N213-R285 PolarHBondContact OD1-NH1 3.03Å; Y281-R285 HydrophobicContact CE2-CB 4.36Å; Y281-R285 WeakPolarHBondContact O-CB 3.46Å; Y281-R285 PolarHBondContact O-N 3Å; Y281-R285 WeakPolarHBondContact OH-CD 3.45Å; E282-R285 PolarHBondContact O-N 3.16Å; E282-R285 IonicContact OE2-CZ 3.82Å; E282-R285 IonicContact OE2-NE 3.62Å; E282-R285 PolarHBondContact OE2-NE 2.99Å; E282-R285 IonicContact OE2-NH2 2.81Å; E282-R285 PolarHBondContact OE2-NH2 3.41Å; R285-A287 PolarHBondContact O-N 2.87Å; R285-I288 PolarHBondContact O-N 3.39Å; R285-M289 HydrophobicContact CG-CG 4.2Å; R285-M289 WeakPolarHBondContact O-CB 3.42Å; R285-M289 WeakPolarHBondContact O-CG 3.41Å; R285-M289 PolarHBondContact O-N 3.06Å; R285-Q307 HydrophobicContact CG-CG 4.16Å; R285-Q307 VanDerWaalsContact CG-OE1 3.29Å; R285-F544 HydrophobicContact CB-CE1 4.35Å; R285-F544 HydrophobicContact CB-CZ 4.2Å; R285-F544 HydrophobicContact CG-CZ 4.49Å
286W95.2Very high94.3Very high20 Ų2018.1 Ų18.18%0.07610%0.096CC..Hα-helixtrans-63.2-40.6177.3-75.3117.5000112.5P102 M104 L214 L219 I222 E282 Q283 I288 M289 L290P102-W286 VanDerWaalsContact O-CD1 3.32Å; M104-W286 HydrophobicContact CB-CZ2 4.3Å; M104-W286 HydrophobicContact CG-CD2 3.83Å; M104-W286 VanDerWaalsContact CG-CE2 3.41Å; M104-W286 HydrophobicContact CG-CG 3.92Å; M104-W286 HydrophobicContact CG-CZ2 3.96Å; L214-W286 HydrophobicContact CD1-CH2 3.55Å; L214-W286 HydrophobicContact CD1-CZ3 4.21Å; L214-W286 HydrophobicContact CG-CH2 3.84Å; L219-W286 HydrophobicContact CD1-CZ3 3.99Å; I222-W286 HydrophobicContact CD1-CE3 4.45Å; I222-W286 HydrophobicContact CD1-CH2 4.12Å; I222-W286 HydrophobicContact CD1-CZ3 3.66Å; E282-W286 PolarHBondContact O-N 3.47Å; Q283-W286 PolarHBondContact O-N 3.41Å; W286-I288 VanDerWaalsContact C-N 3.29Å; W286-I288 PolarHBondContact O-N 2.93Å; W286-M289 PolarHBondContact O-N 3.5Å; W286-L290 HydrophobicContact CB-CD1 4.49Å; W286-L290 HydrophobicContact CE3-CD1 4.14Å; W286-L290 HydrophobicContact CE3-CD2 4.46Å; W286-L290 HydrophobicContact CE3-CG 4.11Å; W286-L290 VanDerWaalsContact O-CB 3.25Å; W286-L290 WeakPolarHBondContact O-CB 3.28Å; W286-L290 WeakPolarHBondContact O-CG 3.11Å; W286-L290 PolarHBondContact O-N 3.33Å
287A94.9Very high94Very high9 Ų921.8 Ų21.87%0.07412%0.116CC..Hα-helixtrans-59.4-38.8175.800000112.6Q283 A284 R285 E291 E292 I293Q283-A287 WeakPolarHBondContact O-CB 3.39Å; Q283-A287 PolarHBondContact O-N 3.49Å; A284-A287 PolarHBondContact O-N 3.27Å; R285-A287 PolarHBondContact O-N 2.87Å; A287-E291 PolarHBondContact O-N 2.68Å; A287-E292 HydrophobicContact CB-CB 4.3Å; A287-E292 PolarHBondContact O-N 3Å; A287-I293 HydrophobicContact CB-CG2 4.11Å; A287-I293 PolarHBondContact O-N 3.23Å
288I95.3Very high93.7Very high1 Ų128.4 Ų28.41%0.00515%0.146CC..Hα-helixtrans-73.2-47.5176.2-64-69.7000111.5A284 R285 W286 L290 E291 I293 C295 M300 F303 F544 L551A284-I288 VanDerWaalsContact O-CG1 3.31Å; A284-I288 WeakPolarHBondContact O-CG1 3.39Å; A284-I288 PolarHBondContact O-N 3.29Å; R285-I288 PolarHBondContact O-N 3.39Å; W286-I288 VanDerWaalsContact C-N 3.29Å; W286-I288 PolarHBondContact O-N 2.93Å; I288-L290 VanDerWaalsContact C-N 3.33Å; I288-L290 PolarHBondContact O-N 2.91Å; I288-E291 PolarHBondContact O-N 3.3Å; I288-I293 HydrophobicContact CD1-CG2 3.61Å; I288-I293 HydrophobicContact CG1-CG2 4.32Å; I288-C295 HydrophobicContact CD1-CB 4.5Å; I288-M300 HydrophobicContact CG2-CE 3.76Å; I288-M300 HydrophobicContact CG2-SD 4.14Å; I288-F303 HydrophobicContact CD1-CD2 4.02Å; I288-F303 HydrophobicContact CD1-CE2 3.61Å; I288-F303 HydrophobicContact CD1-CZ 3.94Å; I288-F303 HydrophobicContact CG1-CD2 4.32Å; I288-F303 HydrophobicContact CG1-CE2 4.24Å; I288-F303 HydrophobicContact CG1-CZ 4.38Å; I288-F303 HydrophobicContact CG2-CB 4.39Å; I288-F303 HydrophobicContact CG2-CD2 4.02Å; I288-F303 HydrophobicContact CG2-CG 4.3Å; I288-F544 HydrophobicContact CG1-CE1 4.48Å; I288-F544 HydrophobicContact CG1-CZ 4.35Å; I288-L551 HydrophobicContact CD1-CD1 3.61Å
289M93.1Very high93.5Very high3 Ų330 Ų302%0.01515%0.154CC..Hα-helixtrans-68.3-32.7-175.4-69.2-63.6-73.100112.7L219 R285 W286 C506 V508 P510L219-M289 HydrophobicContact CD1-CB 4.47Å; L219-M289 HydrophobicContact CD2-CE 3.63Å; R285-M289 HydrophobicContact CG-CG 4.2Å; R285-M289 WeakPolarHBondContact O-CB 3.42Å; R285-M289 WeakPolarHBondContact O-CG 3.41Å; R285-M289 PolarHBondContact O-N 3.06Å; W286-M289 PolarHBondContact O-N 3.5Å; M289-C506 VanDerWaalsContact CE-O 3.23Å; M289-C506 WeakPolarHBondContact CE-O 3.41Å; M289-V508 VanDerWaalsContact CE-O 3.29Å; M289-V508 WeakPolarHBondContact CE-O 3.42Å; M289-P510 WeakPolarHBondContact O-CD 3.36Å
290L92.5Very high93.3Very high19 Ų1930.2 Ų30.210%0.09916%0.155CC..THydrogen-bonded Turntrans-90.3-0.1176.6-59.4176.3000113.2L219 I222 W286 I288 E292L219-L290 HydrophobicContact CD1-CD2 3.99Å; I222-L290 HydrophobicContact CD1-CD2 3.98Å; I222-L290 HydrophobicContact CG1-CD2 3.9Å; W286-L290 HydrophobicContact CB-CD1 4.49Å; W286-L290 HydrophobicContact CE3-CD1 4.14Å; W286-L290 HydrophobicContact CE3-CD2 4.46Å; W286-L290 HydrophobicContact CE3-CG 4.11Å; W286-L290 VanDerWaalsContact O-CB 3.25Å; W286-L290 WeakPolarHBondContact O-CB 3.28Å; W286-L290 WeakPolarHBondContact O-CG 3.11Å; W286-L290 PolarHBondContact O-N 3.33Å; I288-L290 VanDerWaalsContact C-N 3.33Å; I288-L290 PolarHBondContact O-N 2.91Å; L290-E292 HydrophobicContact CB-CG 4.18Å; L290-E292 PolarHBondContact O-N 3.39Å
291E91.8Very high92.9Very high21 Ų2131.3 Ų31.310%0.09816%0.161CC..THydrogen-bonded Turntrans55.437.2-176.8-52.7-172.3146.400113.1Y223 A287 I288 S509 R511Y223-E291 HydrophobicContact CE2-CB 4.05Å; Y223-E291 HydrophobicContact CE2-CG 3.87Å; Y223-E291 WeakPolarHBondContact CE2-OE2 3.43Å; Y223-E291 PolarHBondContact OH-OE2 2.66Å; A287-E291 PolarHBondContact O-N 2.68Å; I288-E291 PolarHBondContact O-N 3.3Å; E291-S509 WeakPolarHBondContact OE1-CB 3.42Å; E291-S509 PolarHBondContact OE1-OG 3.14Å; E291-R511 WeakPolarHBondContact OE1-CB 3.29Å; E291-R511 IonicContact OE1-CZ 3.59Å; E291-R511 IonicContact OE1-NE 3.63Å; E291-R511 PolarHBondContact OE1-NE 3.4Å; E291-R511 IonicContact OE1-NH2 3.53Å; E291-R511 IonicContact OE2-NE 3.59Å
292E91.6Very high92.4Very high90 Ų9033.1 Ų33.142%0.42117%0.17SC..SBendtrans-69.9-28.2168.3-61.5-176.3168.900110.9L226 K231 A287 L290L226-E292 HydrophobicContact CD1-CG 4.22Å; K231-E292 VanDerWaalsContact CE-O 3.22Å; K231-E292 WeakPolarHBondContact CE-O 3.29Å; K231-E292 PolarHBondContact NZ-O 3.04Å; A287-E292 HydrophobicContact CB-CB 4.3Å; A287-E292 PolarHBondContact O-N 3Å; L290-E292 HydrophobicContact CB-CG 4.18Å; L290-E292 PolarHBondContact O-N 3.39Å
293I92.1Very high92.3Very high14 Ų1433.1 Ų33.17%0.07217%0.17CC..SBendtrans-126.1132.4170.5-170.2168.1000109.7A287 I288 L551 E553 F554A287-I293 HydrophobicContact CB-CG2 4.11Å; A287-I293 PolarHBondContact O-N 3.23Å; I288-I293 HydrophobicContact CD1-CG2 3.61Å; I288-I293 HydrophobicContact CG1-CG2 4.32Å; I293-L551 HydrophobicContact CD1-CB 3.85Å; I293-L551 HydrophobicContact CD1-CD1 3.84Å; I293-L551 HydrophobicContact CG1-CB 4.45Å; I293-L551 HydrophobicContact CG1-CD1 4.03Å; I293-L551 HydrophobicContact CG2-CD1 4.14Å; I293-E553 HydrophobicContact CD1-CB 4.43Å; I293-E553 HydrophobicContact CG1-CB 4.24Å; I293-F554 HydrophobicContact CD1-CB 4.23Å
294D90.2Very high92.1Very high75 Ų7531.9 Ų31.940%0.40116%0.164SC..  trans-78.9142.5178.4-78.4-56.3000111.5R511D294-R511 IonicContact OD1-NH2 3.88Å
295C91.8Very high91.7Very high22 Ų2232 Ų3215%0.14917%0.165CC..  trans-136.3162.8169.767.70000110.6I288 E299 F303 L551I288-C295 HydrophobicContact CD1-CB 4.5Å; C295-E299 HydrophobicContact CB-CB 3.96Å; C295-F303 HydrophobicContact CB-CE2 4.11Å; C295-L551 HydrophobicContact CB-CD1 4.16Å; C295-L551 HydrophobicContact CB-CD2 3.71Å
296T91.6Very high91.5Very high75 Ų7532.1 Ų32.146%0.4617%0.166SC..  trans-72.8162.7176.261.60000111.9E298 E299 M300T296-E298 PolarHBondContact O-N 2.86Å; T296-E299 WeakPolarHBondContact CB-OE2 3.38Å; T296-E299 WeakPolarHBondContact CG2-OE2 3.24Å; T296-E299 PolarHBondContact N-OE2 3.14Å; T296-E299 PolarHBondContact O-N 2.82Å; T296-E299 WeakPolarHBondContact OG1-CB 3.5Å; T296-E299 VanDerWaalsContact OG1-CG 3.23Å; T296-E299 WeakPolarHBondContact OG1-CG 3.33Å; T296-E299 PolarHBondContact OG1-N 2.8Å; T296-E299 PolarHBondContact OG1-OE2 3.15Å; T296-M300 PolarHBondContact O-N 2.9Å
297D87.1Confident91.4Very high77 Ų7731.2 Ų31.241%0.41216%0.162SC..Hα-helixtrans-59.6-32.3177.8-70.5-13.3000112L301 Y512 K515D297-L301 WeakPolarHBondContact O-CG 3.27Å; D297-L301 PolarHBondContact O-N 3.24Å; D297-Y512 HydrophobicContact CB-CE2 3.72Å; D297-Y512 PolarHBondContact O-OH 3.05Å; D297-Y512 VanDerWaalsContact O-OH 3.11Å; D297-Y512 VanDerWaalsContact OD1-CE2 3.32Å; D297-Y512 WeakPolarHBondContact OD1-CE2 3.43Å; D297-K515 IonicContact OD1-NZ 3.06Å; D297-K515 PolarHBondContact OD1-NZ 3.07Å; D297-K515 IonicContact OD2-NZ 3.69Å
298E87.1Confident91.1Very high138 Ų13832.2 Ų32.265%0.64516%0.164SC*.Hα-helixtrans-73.2-44175.2-67.1-178.5177.300112.4T296 M300 L301 M302T296-E298 PolarHBondContact O-N 2.86Å; E298-M300 VanDerWaalsContact C-N 3.32Å; E298-M300 PolarHBondContact O-N 2.82Å; E298-L301 PolarHBondContact O-N 2.83Å; E298-M302 PolarHBondContact O-N 2.82Å; E298-M302 VanDerWaalsContact O-N 3.08Å
299E90.4Very high90.8Very high35 Ų3532.4 Ų32.416%0.16417%0.165CC..Hα-helixtrans-63.7-39.2176.6-72.9160.3160.100111.2C295 T296 L301 M302 F303C295-E299 HydrophobicContact CB-CB 3.96Å; T296-E299 WeakPolarHBondContact CB-OE2 3.38Å; T296-E299 WeakPolarHBondContact CG2-OE2 3.24Å; T296-E299 PolarHBondContact N-OE2 3.14Å; T296-E299 PolarHBondContact O-N 2.82Å; T296-E299 WeakPolarHBondContact OG1-CB 3.5Å; T296-E299 VanDerWaalsContact OG1-CG 3.23Å; T296-E299 WeakPolarHBondContact OG1-CG 3.33Å; T296-E299 PolarHBondContact OG1-N 2.8Å; T296-E299 PolarHBondContact OG1-OE2 3.15Å; E299-L301 VanDerWaalsContact C-N 3.3Å; E299-L301 PolarHBondContact O-N 2.84Å; E299-M302 WeakPolarHBondContact O-CB 3.27Å; E299-M302 PolarHBondContact O-N 2.94Å; E299-F303 HydrophobicContact CB-CD2 4.45Å; E299-F303 HydrophobicContact CB-CE2 4.14Å; E299-F303 WeakPolarHBondContact O-CD2 3.46Å; E299-F303 WeakPolarHBondContact O-CG 3.48Å; E299-F303 PolarHBondContact O-N 2.98Å
300M92.4Very high90.6Very high7 Ų732.3 Ų32.33%0.03416%0.164CC..Hα-helixtrans-58.7-41.2173.8179.957.773.200112I288 T296 E298 F303 A304 V508 Y512I288-M300 HydrophobicContact CG2-CE 3.76Å; I288-M300 HydrophobicContact CG2-SD 4.14Å; T296-M300 PolarHBondContact O-N 2.9Å; E298-M300 VanDerWaalsContact C-N 3.32Å; E298-M300 PolarHBondContact O-N 2.82Å; M300-F303 PolarHBondContact O-N 2.61Å; M300-A304 WeakPolarHBondContact O-CB 3.48Å; M300-A304 PolarHBondContact O-N 3.14Å; M300-V508 HydrophobicContact CG-CB 4.32Å; M300-V508 HydrophobicContact CG-CG1 4.1Å; M300-V508 HydrophobicContact SD-CB 4.12Å; M300-V508 HydrophobicContact SD-CG1 4.2Å; M300-Y512 HydrophobicContact CG-CD1 3.84Å; M300-Y512 HydrophobicContact CG-CD2 4.4Å; M300-Y512 HydrophobicContact CG-CE1 4.17Å; M300-Y512 HydrophobicContact CG-CG 3.94Å
301L88.6Confident90.3Very high22 Ų2232.3 Ų32.312%0.11517%0.166CC..Hα-helixtrans-65.9-39.8176.1-71.9168.9000112D297 E298 E299 A304 S305 Y512 L521 R524 I525D297-L301 WeakPolarHBondContact O-CG 3.27Å; D297-L301 PolarHBondContact O-N 3.24Å; E298-L301 PolarHBondContact O-N 2.83Å; E299-L301 VanDerWaalsContact C-N 3.3Å; E299-L301 PolarHBondContact O-N 2.84Å; L301-A304 PolarHBondContact O-N 3.3Å; L301-S305 PolarHBondContact O-N 2.93Å; L301-S305 PolarHBondContact O-OG 3.47Å; L301-Y512 HydrophobicContact CD2-CE1 3.97Å; L301-Y512 HydrophobicContact CG-CE1 4.19Å; L301-L521 HydrophobicContact CD2-CD1 4.01Å; L301-R524 HydrophobicContact CD1-CB 4.27Å; L301-R524 HydrophobicContact CD2-CB 3.87Å; L301-I525 HydrophobicContact CD2-CG1 4.28Å
302M88.2Confident90Very high38 Ų3836 Ų3619%0.18718%0.182CC..Hα-helixtrans-61.8-45173177.3-169.5-87.700111.6E298 E299 A304 S305 L306 A547E298-M302 PolarHBondContact O-N 2.82Å; E298-M302 VanDerWaalsContact O-N 3.08Å; E299-M302 WeakPolarHBondContact O-CB 3.27Å; E299-M302 PolarHBondContact O-N 2.94Å; M302-A304 VanDerWaalsContact C-N 3.32Å; M302-A304 PolarHBondContact O-N 2.91Å; M302-S305 PolarHBondContact O-N 3.1Å; M302-S305 PolarHBondContact O-OG 2.98Å; M302-L306 HydrophobicContact CG-CD1 4.15Å; M302-L306 WeakPolarHBondContact O-CG 3.43Å; M302-L306 PolarHBondContact O-N 2.75Å; M302-A547 HydrophobicContact SD-CB 4.06Å
303F94.6Very high89.6Confident2 Ų234.7 Ų34.71%0.00918%0.177CC..Hα-helixtrans-62.6-40.4175.8-71.7-55.2000111.6I288 C295 E299 M300 L306 Q307 F544 A547 W548 L551I288-F303 HydrophobicContact CD1-CD2 4.02Å; I288-F303 HydrophobicContact CD1-CE2 3.61Å; I288-F303 HydrophobicContact CD1-CZ 3.94Å; I288-F303 HydrophobicContact CG1-CD2 4.32Å; I288-F303 HydrophobicContact CG1-CE2 4.24Å; I288-F303 HydrophobicContact CG1-CZ 4.38Å; I288-F303 HydrophobicContact CG2-CB 4.39Å; I288-F303 HydrophobicContact CG2-CD2 4.02Å; I288-F303 HydrophobicContact CG2-CG 4.3Å; C295-F303 HydrophobicContact CB-CE2 4.11Å; E299-F303 HydrophobicContact CB-CD2 4.45Å; E299-F303 HydrophobicContact CB-CE2 4.14Å; E299-F303 WeakPolarHBondContact O-CD2 3.46Å; E299-F303 WeakPolarHBondContact O-CG 3.48Å; E299-F303 PolarHBondContact O-N 2.98Å; M300-F303 PolarHBondContact O-N 2.61Å; F303-L306 PolarHBondContact O-N 2.9Å; F303-Q307 WeakPolarHBondContact O-CB 3.38Å; F303-Q307 VanDerWaalsContact O-CG 3.29Å; F303-Q307 WeakPolarHBondContact O-CG 3.46Å; F303-Q307 PolarHBondContact O-N 3.11Å; F303-Q307 PolarHBondContact O-NE2 3.45Å; F303-F544 HydrophobicContact CB-CE2 3.73Å; F303-F544 HydrophobicContact CB-CZ 4.13Å; F303-F544 HydrophobicContact CD1-CD1 4.17Å; F303-F544 AromaticContact CD1-CD2 3.73Å; F303-F544 HydrophobicContact CD1-CD2 3.73Å; F303-F544 AromaticContact CD1-CE1 3.86Å; F303-F544 HydrophobicContact CD1-CE1 3.86Å; F303-F544 AromaticContact CD1-CE2 3.39Å; F303-F544 HydrophobicContact CD1-CE2 3.39Å; F303-F544 HydrophobicContact CD1-CG 4.09Å; F303-F544 AromaticContact CD1-CZ 3.46Å; F303-F544 HydrophobicContact CD1-CZ 3.46Å; F303-F544 VanDerWaalsContact CD1-CZ 3.46Å; F303-F544 HydrophobicContact CE1-CD1 4.27Å; F303-F544 HydrophobicContact CE1-CE1 4.08Å; F303-F544 HydrophobicContact CE1-CE2 4.36Å; F303-F544 HydrophobicContact CE1-CG 4.47Å; F303-F544 HydrophobicContact CE1-CZ 4.13Å; F303-F544 AromaticContact CG-CE2 3.95Å; F303-F544 HydrophobicContact CG-CE2 3.95Å; F303-F544 HydrophobicContact CG-CZ 4.04Å; F303-A547 HydrophobicContact CD1-CB 4.44Å; F303-A547 HydrophobicContact CE1-CB 3.59Å; F303-A547 HydrophobicContact CZ-CB 3.93Å; F303-W548 HydrophobicContact CE1-CB 4.28Å; F303-W548 HydrophobicContact CZ-CB 4.36Å; F303-L551 HydrophobicContact CE2-CD1 4.23Å; F303-L551 HydrophobicContact CE2-CD2 4.45Å; F303-L551 HydrophobicContact CZ-CD1 4.16Å
304A92.3Very high89Confident0 Ų035.9 Ų35.90%019%0.185CC..Hα-helixtrans-64.3-43.217700000112.1M300 L301 M302 Q307 Y308 F507 V508 I525M300-A304 WeakPolarHBondContact O-CB 3.48Å; M300-A304 PolarHBondContact O-N 3.14Å; L301-A304 PolarHBondContact O-N 3.3Å; M302-A304 VanDerWaalsContact C-N 3.32Å; M302-A304 PolarHBondContact O-N 2.91Å; A304-Q307 PolarHBondContact O-N 3Å; A304-Y308 WeakPolarHBondContact O-CB 3.14Å; A304-Y308 PolarHBondContact O-N 2.9Å; A304-F507 WeakPolarHBondContact CA-O 3.03Å; A304-F507 HydrophobicContact CB-CB 3.89Å; A304-F507 WeakPolarHBondContact CB-O 3.42Å; A304-V508 HydrophobicContact CB-CG1 3.71Å; A304-I525 HydrophobicContact CB-CD1 3.86Å; A304-I525 HydrophobicContact CB-CG1 3.91Å
305S89.8Confident88.1Confident2 Ų238.4 Ų38.41%0.01420%0.196CC..Hα-helixtrans-65.4-40.4177.2620000112.3L301 M302 Y308 H309 I532L301-S305 PolarHBondContact O-N 2.93Å; L301-S305 PolarHBondContact O-OG 3.47Å; M302-S305 PolarHBondContact O-N 3.1Å; M302-S305 PolarHBondContact O-OG 2.98Å; S305-Y308 PolarHBondContact O-N 3.32Å; S305-H309 WeakPolarHBondContact O-CB 3.39Å; S305-H309 PolarHBondContact O-N 2.99Å; S305-I532 VanDerWaalsContact C-CD1 3.46Å; S305-I532 WeakPolarHBondContact O-CD1 3.32Å
306L91Very high86.8Confident5 Ų540.5 Ų40.53%0.02621%0.211CC..Hα-helixtrans-64.9-44.1175.6-75.4166.7000111.4M302 F303 Y308 H309 I310 I532 L535 A540 R543 F544M302-L306 HydrophobicContact CG-CD1 4.15Å; M302-L306 WeakPolarHBondContact O-CG 3.43Å; M302-L306 PolarHBondContact O-N 2.75Å; F303-L306 PolarHBondContact O-N 2.9Å; L306-Y308 VanDerWaalsContact C-N 3.35Å; L306-Y308 PolarHBondContact O-N 3.25Å; L306-H309 PolarHBondContact O-N 2.99Å; L306-I310 WeakPolarHBondContact O-CB 3.29Å; L306-I310 WeakPolarHBondContact O-CD1 3.4Å; L306-I310 WeakPolarHBondContact O-CG1 3.33Å; L306-I310 PolarHBondContact O-N 3.4Å; L306-I532 HydrophobicContact CB-CD1 4.44Å; L306-I532 HydrophobicContact CD2-CD1 3.75Å; L306-I532 HydrophobicContact CD2-CG2 4.34Å; L306-I532 HydrophobicContact CG-CD1 3.97Å; L306-L535 HydrophobicContact CD2-CD1 4.29Å; L306-A540 HydrophobicContact CD2-CB 4.37Å; L306-R543 HydrophobicContact CD1-CB 4.37Å; L306-R543 HydrophobicContact CD2-CB 4.09Å; L306-F544 HydrophobicContact CB-CD2 3.92Å; L306-F544 HydrophobicContact CD1-CB 4.18Å; L306-F544 HydrophobicContact CD1-CD2 4.32Å
307Q92.8Very high84.7Confident0 Ų043.3 Ų43.30%023%0.228CC..Hα-helixtrans-61-43.5174.8-74.6174.285.300112N213 R285 F303 A304 I310 C311 F507 F544N213-Q307 PolarHBondContact OD1-OE1 3.41Å; R285-Q307 HydrophobicContact CG-CG 4.16Å; R285-Q307 VanDerWaalsContact CG-OE1 3.29Å; F303-Q307 WeakPolarHBondContact O-CB 3.38Å; F303-Q307 VanDerWaalsContact O-CG 3.29Å; F303-Q307 WeakPolarHBondContact O-CG 3.46Å; F303-Q307 PolarHBondContact O-N 3.11Å; F303-Q307 PolarHBondContact O-NE2 3.45Å; A304-Q307 PolarHBondContact O-N 3Å; Q307-I310 PolarHBondContact O-N 3.3Å; Q307-C311 WeakPolarHBondContact O-CB 3.27Å; Q307-C311 PolarHBondContact O-N 2.86Å; Q307-C311 PolarHBondContact O-SG 3.33Å; Q307-F507 HydrophobicContact CB-CD1 3.73Å; Q307-F507 HydrophobicContact CB-CE1 4.41Å; Q307-F507 PolarHBondContact NE2-O 2.98Å; Q307-F507 VanDerWaalsContact NE2-O 3.09Å; Q307-F544 HydrophobicContact CG-CD2 4.3Å; Q307-F544 HydrophobicContact CG-CE2 3.68Å; Q307-F544 HydrophobicContact CG-CZ 4.49Å
308Y89.2Confident82.1Confident31 Ų3147.4 Ų47.412%0.12225%0.245CC..Hα-helixtrans-60.1-46.4175.7171.9-107.5000111.4A304 S305 L306 I310 C311 K312 M502 F507 L526 H529A304-Y308 WeakPolarHBondContact O-CB 3.14Å; A304-Y308 PolarHBondContact O-N 2.9Å; S305-Y308 PolarHBondContact O-N 3.32Å; L306-Y308 VanDerWaalsContact C-N 3.35Å; L306-Y308 PolarHBondContact O-N 3.25Å; Y308-I310 PolarHBondContact O-N 3.07Å; Y308-C311 PolarHBondContact O-N 3.38Å; Y308-K312 WeakPolarHBondContact O-CB 3.41Å; Y308-K312 PolarHBondContact O-N 3.49Å; Y308-M502 HydrophobicContact CD1-SD 4.25Å; Y308-M502 HydrophobicContact CD2-CG 3.89Å; Y308-M502 HydrophobicContact CD2-SD 3.52Å; Y308-M502 VanDerWaalsContact CD2-SD 3.52Å; Y308-M502 HydrophobicContact CE1-SD 4.31Å; Y308-M502 HydrophobicContact CE2-CB 4.29Å; Y308-M502 HydrophobicContact CE2-CG 3.78Å; Y308-M502 HydrophobicContact CE2-SD 3.59Å; Y308-M502 VanDerWaalsContact CE2-SD 3.59Å; Y308-M502 HydrophobicContact CG-SD 3.87Å; Y308-F507 VanDerWaalsContact CA-CE1 3.46Å; Y308-F507 HydrophobicContact CD2-CE1 4.41Å; Y308-F507 HydrophobicContact CD2-CE2 4.22Å; Y308-F507 AromaticContact CD2-CZ 3.92Å; Y308-F507 HydrophobicContact CD2-CZ 3.92Å; Y308-L526 HydrophobicContact CE1-CD2 4.07Å; Y308-H529 HydrophobicContact CD1-CB 4.4Å; Y308-H529 AromaticContact CD1-CD2 3.8Å; Y308-H529 AromaticContact CD1-CG 3.92Å
309H88.3Confident79.6Confident5 Ų546.9 Ų46.92%0.02325%0.253CS..Hα-helixtrans-61.5-46177.9-170.836.5000112.4S305 L306 C311 K312 L313 H529 I532 L535S305-H309 WeakPolarHBondContact O-CB 3.39Å; S305-H309 PolarHBondContact O-N 2.99Å; L306-H309 PolarHBondContact O-N 2.99Å; H309-C311 PolarHBondContact O-N 3.03Å; H309-K312 PolarHBondContact O-N 3.43Å; H309-L313 WeakPolarHBondContact O-CG 3.19Å; H309-L313 PolarHBondContact O-N 3Å; H309-H529 AromaticContact CG-NE2 3.63Å; H309-H529 AromaticContact ND1-NE2 3.3Å; H309-H529 PolarHBondContact ND1-NE2 3.45Å; H309-I532 HydrophobicContact CB-CD1 4.09Å; H309-I532 PolarHBondContact CD2-O 3.38Å; H309-I532 PolarHBondContact NE2-O 2.88Å; H309-I532 VanDerWaalsContact NE2-O 3.16Å; H309-L535 PolarHBondContact NE2-O 3.11Å
310I90Very high77.1Confident0 Ų051.9 Ų51.90%028%0.28CS..Hα-helixtrans-59.8-46.5176.7-71.1163.3000110.6S210 Y281 L306 Q307 Y308 K312 L313 T314 L537 A540 K541S210-I310 VanDerWaalsContact OG-CG2 3.26Å; S210-I310 WeakPolarHBondContact OG-CG2 3.35Å; Y281-I310 HydrophobicContact CD2-CD1 4.1Å; Y281-I310 HydrophobicContact CE1-CD1 4.4Å; Y281-I310 HydrophobicContact CE1-CG2 4.17Å; Y281-I310 HydrophobicContact CE2-CD1 3.47Å; Y281-I310 VanDerWaalsContact CE2-CD1 3.47Å; L306-I310 WeakPolarHBondContact O-CB 3.29Å; L306-I310 WeakPolarHBondContact O-CD1 3.4Å; L306-I310 WeakPolarHBondContact O-CG1 3.33Å; L306-I310 PolarHBondContact O-N 3.4Å; Q307-I310 PolarHBondContact O-N 3.3Å; Y308-I310 PolarHBondContact O-N 3.07Å; I310-K312 PolarHBondContact O-N 2.93Å; I310-L313 PolarHBondContact O-N 3.49Å; I310-T314 WeakPolarHBondContact O-CB 3.49Å; I310-T314 PolarHBondContact O-N 3.31Å; I310-T314 PolarHBondContact O-OG1 3.49Å; I310-L537 HydrophobicContact CB-CD1 4.34Å; I310-L537 HydrophobicContact CG1-CD1 4.45Å; I310-L537 HydrophobicContact CG2-CD1 3.89Å; I310-A540 HydrophobicContact CD1-CB 4.18Å; I310-A540 HydrophobicContact CG1-CB 3.67Å; I310-K541 HydrophobicContact CD1-CG 3.95Å; I310-K541 HydrophobicContact CG1-CG 4.32Å
311C86.6Confident74.1Confident20 Ų2056.8 Ų56.814%0.13531%0.307CS..Hα-helixtrans-61.3-45.3176.9-70.10000111.3Q307 Y308 H309 L313 T314 M315 F507Q307-C311 WeakPolarHBondContact O-CB 3.27Å; Q307-C311 PolarHBondContact O-N 2.86Å; Q307-C311 PolarHBondContact O-SG 3.33Å; Y308-C311 PolarHBondContact O-N 3.38Å; H309-C311 PolarHBondContact O-N 3.03Å; C311-L313 PolarHBondContact O-N 3.27Å; C311-T314 PolarHBondContact O-N 2.63Å; C311-M315 WeakPolarHBondContact O-CG 3.18Å; C311-M315 PolarHBondContact O-N 2.88Å; C311-F507 HydrophobicContact CB-CE1 4.29Å
312K83.9Confident71.4Confident99 Ų9961.8 Ų61.843%0.4333%0.334SS..Hα-helixtrans-58.5-49178.2-174.5-179.8179.4177.70111.2Y308 H309 I310 M315 S316Y308-K312 WeakPolarHBondContact O-CB 3.41Å; Y308-K312 PolarHBondContact O-N 3.49Å; H309-K312 PolarHBondContact O-N 3.43Å; I310-K312 PolarHBondContact O-N 2.93Å; K312-M315 PolarHBondContact O-N 3.37Å; K312-S316 VanDerWaalsContact O-CB 3.28Å; K312-S316 WeakPolarHBondContact O-CB 3.38Å; K312-S316 PolarHBondContact O-N 3.48Å; K312-S316 PolarHBondContact O-OG 3.28Å
313L82.8Confident68.7Low61 Ų6164.3 Ų64.332%0.31936%0.355SS..Hα-helixtrans-66.7-35.7179.1-69.9178000112.7H309 I310 C311 M315 L537H309-L313 WeakPolarHBondContact O-CG 3.19Å; H309-L313 PolarHBondContact O-N 3Å; I310-L313 PolarHBondContact O-N 3.49Å; C311-L313 PolarHBondContact O-N 3.27Å; L313-M315 VanDerWaalsContact C-N 3.33Å; L313-M315 PolarHBondContact O-N 2.83Å; L313-L537 HydrophobicContact CB-CB 4.43Å; L313-L537 HydrophobicContact CB-CD1 4.11Å; L313-L537 HydrophobicContact CD1-CB 4.14Å
314T81.1Confident65.6Low39 Ų3968.5 Ų68.524%0.23939%0.385CS..Hα-helixtrans-68-33.4178.4-52.60000111.6I310 C311I310-T314 WeakPolarHBondContact O-CB 3.49Å; I310-T314 PolarHBondContact O-N 3.31Å; I310-T314 PolarHBondContact O-OG1 3.49Å; C311-T314 PolarHBondContact O-N 2.63Å
315M71Confident62.7Low128 Ų12875.3 Ų75.363%0.63142%0.417SS*.Hα-helixtrans-90.7-18.9-179.5-63.5-167.978.600114.2C311 K312 L313 T317 M500C311-M315 WeakPolarHBondContact O-CG 3.18Å; C311-M315 PolarHBondContact O-N 2.88Å; K312-M315 PolarHBondContact O-N 3.37Å; L313-M315 VanDerWaalsContact C-N 3.33Å; L313-M315 PolarHBondContact O-N 2.83Å; M315-T317 PolarHBondContact O-N 2.69Å; M315-M500 HydrophobicContact CE-CE 4.37Å; M315-M500 HydrophobicContact SD-CE 3.88Å
316S64.5Low59.9Low66 Ų6680.2 Ų80.246%0.46245%0.448SS..  trans-9074178.9-51.70000108.8K312 E318K312-S316 VanDerWaalsContact O-CB 3.28Å; K312-S316 WeakPolarHBondContact O-CB 3.38Å; K312-S316 PolarHBondContact O-N 3.48Å; K312-S316 PolarHBondContact O-OG 3.28Å; S316-E318 PolarHBondContact O-N 2.61Å
317T46.8Very low57.2Low135 Ų13588.4 Ų88.483%0.82849%0.486SS*.  trans-69.670.1169.521.20000110.2M315M315-T317 PolarHBondContact O-N 2.69Å
318E33.7Very low54.7Low163 Ų16394.6 Ų94.676%0.76252%0.518SS*.  trans-83.6127.3147-74.2-165.9163.400106.7S316 L320S316-E318 PolarHBondContact O-N 2.61Å; E318-L320 PolarHBondContact O-N 2.89Å
319P34.2Very low52.4Low126 Ų12696.9 Ų96.982%0.81853%0.532SS*.  trans-61.7106.4171.425.3-29000106.3D321P319-D321 PolarHBondContact O-N 2.98Å
320L37.3Very low50.4Low140 Ų140103.2 Ų103.273%0.73356%0.562SS**  trans-59.1120.1166-107.290.2000105.8E318 N322E318-L320 PolarHBondContact O-N 2.89Å; L320-N322 PolarHBondContact O-N 3.43Å
321D29.4Very low48.2Very low110 Ų110107.2 Ų107.259%0.58859%0.586SS**  trans-59.392.2166.8-167-0.3000107.2P319 S323 S324P319-D321 PolarHBondContact O-N 2.98Å; D321-S323 PolarHBondContact O-N 3.44Å; D321-S323 WeakPolarHBondContact OD1-CB 3.39Å; D321-S323 PolarHBondContact OD1-N 3.4Å; D321-S323 PolarHBondContact OD1-OG 3.49Å; D321-S323 PolarHBondContact OD2-OG 3.02Å; D321-S324 PolarHBondContact O-N 3.05Å; D321-S324 PolarHBondContact O-OG 3.37Å
322N31.8Very low46.2Very low127 Ų127112.2 Ų112.268%0.67961%0.608SS**G310 helixtrans-59.8-0174.7-78.6-7.3000112L320 S324L320-N322 PolarHBondContact O-N 3.43Å; N322-S324 PolarHBondContact O-N 3Å
323S31.9Very low44.6Very low92 Ų92109.6 Ų109.664%0.64361%0.605SS**G310 helixtrans-71.6-5.4167.174.10000114D321D321-S323 PolarHBondContact O-N 3.44Å; D321-S323 WeakPolarHBondContact OD1-CB 3.39Å; D321-S323 PolarHBondContact OD1-N 3.4Å; D321-S323 PolarHBondContact OD1-OG 3.49Å; D321-S323 PolarHBondContact OD2-OG 3.02Å
324S29.1Very low42.9Very low90 Ų90108.7 Ų108.763%0.62961%0.606SS**G310 helixtrans-121.212.8-179.664.10000114.8D321 N322D321-S324 PolarHBondContact O-N 3.05Å; D321-S324 PolarHBondContact O-OG 3.37Å; N322-S324 PolarHBondContact O-N 3Å
325E32.3Very low41.1Very low143 Ų143111.2 Ų111.267%0.66862%0.618SS**SBendtrans-67.3125.9147.9-70.4-158.8156.400105.6E327E325-E327 VanDerWaalsContact C-N 3.34Å; E325-E327 PolarHBondContact O-N 3.38Å
326P31Very low40Very low105 Ų105108 Ų10868%0.68261%0.608SS**  trans-56114.9159.525.5-28000103.9I328P326-I328 PolarHBondContact O-N 3Å
327E34.3Very low39.1Very low176 Ų176110.4 Ų110.482%0.82262%0.615SS**  trans-44.6103.6153.6-84.2-179.4148.600103.3E325 D329E325-E327 VanDerWaalsContact C-N 3.34Å; E325-E327 PolarHBondContact O-N 3.38Å; E327-D329 PolarHBondContact O-N 2.87Å
328I40.3Very low38.9Very low130 Ų130108.1 Ų108.167%0.66760%0.598SS**  trans-67.390.8166.3-66.4173000100.5P326 E330 A333P326-I328 PolarHBondContact O-N 3Å; I328-E330 PolarHBondContact O-N 2.86Å; I328-A333 HydrophobicContact CG2-CB 4.45Å
329D39.4Very low39.3Very low79 Ų79105.6 Ų105.642%0.42259%0.586SS.*  trans-49.2118.5-169.9-160.1-10.8000103.7E327 V331 E332 A333E327-D329 PolarHBondContact O-N 2.87Å; D329-V331 HydrophobicContact CB-CB 4.39Å; D329-V331 CarbonylContact O-C 3.53Å; D329-V331 PolarHBondContact O-N 3.1Å; D329-V331 VanDerWaalsContact OD1-CB 3.3Å; D329-V331 WeakPolarHBondContact OD1-CB 3.41Å; D329-V331 VanDerWaalsContact OD1-CG2 3.28Å; D329-V331 WeakPolarHBondContact OD1-CG2 3.33Å; D329-V331 PolarHBondContact OD1-N 2.97Å; D329-E332 HydrophobicContact CB-CB 3.88Å; D329-E332 WeakPolarHBondContact O-CA 3.49Å; D329-E332 PolarHBondContact O-N 2.83Å; D329-A333 PolarHBondContact O-N 3.31Å
330E46.4Very low39.9Very low139 Ų139105.4 Ų105.465%0.6558%0.582SS**Hα-helixtrans-55.5-22.7175.4-68.5-178.7170.300108.5K271 I328 A334K271-E330 IonicContact NZ-OE1 3.4Å; K271-E330 PolarHBondContact NZ-OE1 3.16Å; I328-E330 PolarHBondContact O-N 2.86Å; E330-A334 WeakPolarHBondContact O-CA 3.43Å; E330-A334 WeakPolarHBondContact O-CB 3.3Å; E330-A334 PolarHBondContact O-N 2.8Å
331V44.6Very low40.2Very low83 Ų83103.8 Ų103.850%0.50358%0.578SS.*Hα-helixtrans-67.3-39.4165.4-1690000113.4D329 L335D329-V331 HydrophobicContact CB-CB 4.39Å; D329-V331 CarbonylContact O-C 3.53Å; D329-V331 PolarHBondContact O-N 3.1Å; D329-V331 VanDerWaalsContact OD1-CB 3.3Å; D329-V331 WeakPolarHBondContact OD1-CB 3.41Å; D329-V331 VanDerWaalsContact OD1-CG2 3.28Å; D329-V331 WeakPolarHBondContact OD1-CG2 3.33Å; D329-V331 PolarHBondContact OD1-N 2.97Å; V331-L335 HydrophobicContact CG1-CD1 3.64Å; V331-L335 HydrophobicContact CG1-CG 4.05Å; V331-L335 VanDerWaalsContact O-CA 3.26Å; V331-L335 WeakPolarHBondContact O-CA 3.24Å; V331-L335 WeakPolarHBondContact O-CB 3.49Å; V331-L335 VanDerWaalsContact O-CD1 3.26Å; V331-L335 WeakPolarHBondContact O-CD1 3.44Å; V331-L335 WeakPolarHBondContact O-CG 3.44Å; V331-L335 PolarHBondContact O-N 2.82Å
332E44.8Very low40.8Very low125 Ų125104.6 Ų104.658%0.58458%0.582SS**Hα-helixtrans-76.2-34176.5-167.7171.2-163.700113.2D329 S336D329-E332 HydrophobicContact CB-CB 3.88Å; D329-E332 WeakPolarHBondContact O-CA 3.49Å; D329-E332 PolarHBondContact O-N 2.83Å; E332-S336 WeakPolarHBondContact O-CB 3.35Å; E332-S336 PolarHBondContact O-N 3.2Å; E332-S336 PolarHBondContact O-OG 3.39Å
333A49.2Very low41.2Very low45 Ų45105.5 Ų105.537%0.37258%0.582SS.*Hα-helixtrans-74.2-39.5171.900000111.6I328 D329 N337I328-A333 HydrophobicContact CG2-CB 4.45Å; D329-A333 PolarHBondContact O-N 3.31Å; A333-N337 PolarHBondContact O-N 3.32Å; A333-N337 VanDerWaalsContact O-N 3.08Å; A333-N337 PolarHBondContact O-ND2 2.92Å
334A48.3Very low41.7Very low41 Ų41104.7 Ų104.734%0.33959%0.588SS.*Hα-helixtrans-70-33.8169.800000111.6E330 N337 L338E330-A334 WeakPolarHBondContact O-CA 3.43Å; E330-A334 WeakPolarHBondContact O-CB 3.3Å; E330-A334 PolarHBondContact O-N 2.8Å; A334-N337 CarbonylContact O-C 3.56Å; A334-N337 PolarHBondContact O-N 2.91Å; A334-L338 HydrophobicContact CB-CD1 4.44Å; A334-L338 WeakPolarHBondContact O-CA 3.25Å; A334-L338 WeakPolarHBondContact O-CB 3.48Å; A334-L338 WeakPolarHBondContact O-CD1 3.46Å; A334-L338 VanDerWaalsContact O-CG 3.26Å; A334-L338 WeakPolarHBondContact O-CG 3.29Å; A334-L338 PolarHBondContact O-N 3.48Å
335L43.6Very low42Very low93 Ų93103.1 Ų103.149%0.48759%0.586SS.*Hα-helixtrans-69.4-41.4173.1-82.6162.8000109.6V331 N337 L338 E339V331-L335 HydrophobicContact CG1-CD1 3.64Å; V331-L335 HydrophobicContact CG1-CG 4.05Å; V331-L335 VanDerWaalsContact O-CA 3.26Å; V331-L335 WeakPolarHBondContact O-CA 3.24Å; V331-L335 WeakPolarHBondContact O-CB 3.49Å; V331-L335 VanDerWaalsContact O-CD1 3.26Å; V331-L335 WeakPolarHBondContact O-CD1 3.44Å; V331-L335 WeakPolarHBondContact O-CG 3.44Å; V331-L335 PolarHBondContact O-N 2.82Å; L335-N337 VanDerWaalsContact C-N 3.26Å; L335-N337 PolarHBondContact O-N 3.23Å; L335-L338 CarbonylContact O-C 3.46Å; L335-L338 PolarHBondContact O-N 2.89Å; L335-E339 WeakPolarHBondContact O-CA 3.41Å; L335-E339 WeakPolarHBondContact O-CB 3.29Å; L335-E339 PolarHBondContact O-N 3.06Å
336S46.5Very low42.1Very low61 Ų61104 Ų10443%0.42759%0.59SS.*Hα-helixtrans-62.4-35.4173.1-78.30000111.8E332 V340E332-S336 WeakPolarHBondContact O-CB 3.35Å; E332-S336 PolarHBondContact O-N 3.2Å; E332-S336 PolarHBondContact O-OG 3.39Å; S336-V340 WeakPolarHBondContact O-CB 3.36Å; S336-V340 WeakPolarHBondContact O-CG2 3.47Å; S336-V340 PolarHBondContact O-N 3.26Å
337N47.5Very low42.4Very low115 Ų115102.8 Ų102.862%0.61559%0.589SS**Hα-helixtrans-75.7-35.6174.5-71.7-29.7000112.5A333 A334 L335 T341A333-N337 PolarHBondContact O-N 3.32Å; A333-N337 VanDerWaalsContact O-N 3.08Å; A333-N337 PolarHBondContact O-ND2 2.92Å; A334-N337 CarbonylContact O-C 3.56Å; A334-N337 PolarHBondContact O-N 2.91Å; L335-N337 VanDerWaalsContact C-N 3.26Å; L335-N337 PolarHBondContact O-N 3.23Å; N337-T341 PolarHBondContact O-N 2.9Å; N337-T341 PolarHBondContact O-OG1 2.95Å
338L41.2Very low42.5Very low88 Ų88102.2 Ų102.246%0.46159%0.591SS.*Hα-helixtrans-80.7-31.9179.4-82.7160.9000112.4A334 L335 V340 T341 L342A334-L338 HydrophobicContact CB-CD1 4.44Å; A334-L338 WeakPolarHBondContact O-CA 3.25Å; A334-L338 WeakPolarHBondContact O-CB 3.48Å; A334-L338 WeakPolarHBondContact O-CD1 3.46Å; A334-L338 VanDerWaalsContact O-CG 3.26Å; A334-L338 WeakPolarHBondContact O-CG 3.29Å; A334-L338 PolarHBondContact O-N 3.48Å; L335-L338 CarbonylContact O-C 3.46Å; L335-L338 PolarHBondContact O-N 2.89Å; L338-V340 VanDerWaalsContact C-N 3.34Å; L338-T341 CarbonylContact O-C 3.3Å; L338-T341 VanDerWaalsContact O-C 3.3Å; L338-T341 WeakPolarHBondContact O-CA 3.25Å; L338-T341 WeakPolarHBondContact O-CB 3.39Å; L338-T341 PolarHBondContact O-N 3.14Å; L338-L342 HydrophobicContact CB-CD1 4.4Å; L338-L342 HydrophobicContact CD2-CD1 4.21Å; L338-L342 WeakPolarHBondContact O-CA 3.22Å; L338-L342 WeakPolarHBondContact O-CB 3.33Å; L338-L342 WeakPolarHBondContact O-CG 3.25Å; L338-L342 PolarHBondContact O-N 3.19Å
339E43Very low42.3Very low110 Ų110107.3 Ų107.351%0.51460%0.602SS.*Hα-helixtrans-69.3-36.8174.7-168.4170.8-140.100108.7L335 T341 L342 E343L335-E339 WeakPolarHBondContact O-CA 3.41Å; L335-E339 WeakPolarHBondContact O-CB 3.29Å; L335-E339 PolarHBondContact O-N 3.06Å; E339-T341 PolarHBondContact O-N 3.18Å; E339-L342 PolarHBondContact O-N 2.84Å; E339-E343 HydrophobicContact CG-CG 4.29Å; E339-E343 VanDerWaalsContact O-CB 3.31Å; E339-E343 WeakPolarHBondContact O-CB 3.49Å; E339-E343 VanDerWaalsContact O-CG 3.31Å; E339-E343 WeakPolarHBondContact O-CG 3.3Å; E339-E343 PolarHBondContact O-N 2.86Å
340V45.5Very low42.2Very low121 Ų121107.8 Ų107.873%0.73360%0.604SS**Hα-helixtrans-65.3-24165.91720000112.6S336 L338S336-V340 WeakPolarHBondContact O-CB 3.36Å; S336-V340 WeakPolarHBondContact O-CG2 3.47Å; S336-V340 PolarHBondContact O-N 3.26Å; L338-V340 VanDerWaalsContact C-N 3.34Å
341T44.3Very low41.7Very low107 Ų107108.9 Ų108.966%0.65661%0.613SS**Hα-helixtrans-94.8-20178.5-46.70000113N337 L338 E339N337-T341 PolarHBondContact O-N 2.9Å; N337-T341 PolarHBondContact O-OG1 2.95Å; L338-T341 CarbonylContact O-C 3.3Å; L338-T341 VanDerWaalsContact O-C 3.3Å; L338-T341 WeakPolarHBondContact O-CA 3.25Å; L338-T341 WeakPolarHBondContact O-CB 3.39Å; L338-T341 PolarHBondContact O-N 3.14Å; E339-T341 PolarHBondContact O-N 3.18Å
342L41.7Very low41.3Very low127 Ų127113.5 Ų113.567%0.66563%0.629SS**Hα-helixtrans-119.1-1.2-172.3-75162.8000114L338 E339 G344L338-L342 HydrophobicContact CB-CD1 4.4Å; L338-L342 HydrophobicContact CD2-CD1 4.21Å; L338-L342 WeakPolarHBondContact O-CA 3.22Å; L338-L342 WeakPolarHBondContact O-CB 3.33Å; L338-L342 WeakPolarHBondContact O-CG 3.25Å; L338-L342 PolarHBondContact O-N 3.19Å; E339-L342 PolarHBondContact O-N 2.84Å; L342-G344 PolarHBondContact O-N 2.94Å
343E40.2Very low41Very low146 Ų146112.9 Ų112.968%0.68263%0.63SS**  trans-68.719159-80.3-171.5165.700113.1E339 G345E339-E343 HydrophobicContact CG-CG 4.29Å; E339-E343 VanDerWaalsContact O-CB 3.31Å; E339-E343 WeakPolarHBondContact O-CB 3.49Å; E339-E343 VanDerWaalsContact O-CG 3.31Å; E339-E343 WeakPolarHBondContact O-CG 3.3Å; E339-E343 PolarHBondContact O-N 2.86Å; E343-G345 PolarHBondContact O-N 2.9Å; E343-G345 VanDerWaalsContact O-N 3.1Å
344G42.3Very low40.6Very low74 Ų74117.7 Ų117.776%0.76365%0.648SS**  trans-74.735.5156.200000113.3L342L342-G344 PolarHBondContact O-N 2.94Å
345G35.7Very low40.5Very low58 Ų58121.3 Ų121.360%0.59867%0.666SS**  trans-121.220.1-165.900000116E343E343-G345 PolarHBondContact O-N 2.9Å; E343-G345 VanDerWaalsContact O-N 3.1Å
346H34.8Very low40.8Very low160 Ų160122.6 Ų122.674%0.74167%0.673SS**  trans-140.273.3162.9-105.70.4000109.7D348H346-D348 PolarHBondContact O-N 3.15Å; H346-D348 VanDerWaalsContact O-N 3.08Å
347A36.2Very low41.5Very low81 Ų81123.4 Ų123.467%0.66967%0.672SS**THydrogen-bonded Turntrans-71.35.7-168.200000116.5
348D37.3Very low43.1Very low163 Ų163120.6 Ų120.687%0.87266%0.66SS**THydrogen-bonded Turntrans-1165.3-177.4-81-25.6000115.1H346H346-D348 PolarHBondContact O-N 3.15Å; H346-D348 VanDerWaalsContact O-N 3.08Å
349R35.6Very low45.3Very low238 Ų238121.2 Ų121.290%0.89866%0.661SS**THydrogen-bonded Turntrans-131.7-5.3174.2-84.6-173.7168.3-180-3.8116.7
350I38.4Very low47.6Very low89 Ų89117 Ų11746%0.45664%0.641SS.*  trans-112.141.2-175.1-42.3175.9000111.4I354I350-I354 HydrophobicContact CG2-CD1 4.47Å; I350-I354 HydrophobicContact CG2-CG1 4.25Å
351L35Very low49.9Very low161 Ų161112.7 Ų112.784%0.84362%0.619SS**SBendtrans-102.8-1.2168.6-90.6157.6000112.7
352E37.2Very low52.3Low180 Ų180109.8 Ų109.884%0.84160%0.6SS**SBendtrans-105.7-7.5176.2-72.2-174.8159.200114.2
353D37.5Very low54.8Low112 Ų112106.1 Ų106.160%0.59958%0.582SS**SBendtrans-121.56.8-163.1-125.3-4000116.3T355D353-T355 VanDerWaalsContact C-N 3.33Å
354I41.4Very low57.3Low147 Ų14799.2 Ų99.275%0.75455%0.55SS*.THydrogen-bonded Turntrans-87.8-2179.1-58.7177.6000112.1I350I350-I354 HydrophobicContact CG2-CD1 4.47Å; I350-I354 HydrophobicContact CG2-CG1 4.25Å
355T46.1Very low59.8Low116 Ų11699.1 Ų99.171%0.71253%0.527SS*.THydrogen-bonded Turntrans-100-0.8179480000114.8D353 I357D353-T355 VanDerWaalsContact C-N 3.33Å; T355-I357 PolarHBondContact O-N 2.91Å
356D50Low62.4Low120 Ų12096.8 Ų96.864%0.64250%0.501SS*.  trans-85.498.8-174.5-88.29.8000112.2P358D356-P358 WeakPolarHBondContact O-CD 3.38Å
357I60.5Low64.9Low78 Ų7890.8 Ų90.840%0.447%0.472SS..  trans-59.2119.2170.8-62.1168.6000108.2T355 E359 K385 D386T355-I357 PolarHBondContact O-N 2.91Å; I357-E359 PolarHBondContact O-N 3.4Å; I357-K385 HydrophobicContact CG2-CD 4.43Å; I357-K385 HydrophobicContact CG2-CG 3.79Å; I357-D386 WeakPolarHBondContact CG2-OD1 3.42Å
358P80.5Confident67.1Low56 Ų5690 Ų9036%0.36445%0.452SS..  trans-61.5125.9-176.920.6-29.6000110.9D356 M465 A466D356-P358 WeakPolarHBondContact O-CD 3.38Å; P358-M465 HydrophobicContact CG-CB 4.36Å; P358-M465 VanDerWaalsContact O-CE 3.23Å; P358-M465 WeakPolarHBondContact O-CE 3.17Å; P358-A466 HydrophobicContact CG-CB 3.88Å
359E87.7Confident68.6Low102 Ų10285 Ų8548%0.47743%0.428SS..EExtended strand (participates in β ladder)trans-116.4138.7-177-173.9176.1138.500110.1I357 V383 F384I357-E359 PolarHBondContact O-N 3.4Å; E359-V383 VanDerWaalsContact CD-CG1 3.45Å; E359-V383 HydrophobicContact CG-CG1 3.67Å; E359-V383 WeakPolarHBondContact OE1-CG1 3.45Å; E359-F384 WeakPolarHBondContact CA-O 3.4Å
360L92.2Very high69.8Low20 Ų2081 Ų8111%0.10542%0.417CS..EExtended strand (participates in β ladder)trans-116.7117.2172.4-178.974.1000108.2V383 F384 K451 W452 M465L360-V383 CarbonylContact O-C 3.5Å; L360-F384 HydrophobicContact CB-CB 4.11Å; L360-F384 PolarHBondContact N-O 2.9Å; L360-F384 PolarHBondContact O-N 3.45Å; L360-K451 HydrophobicContact CD1-CB 4.41Å; L360-K451 HydrophobicContact CD1-CD 4.35Å; L360-K451 HydrophobicContact CD2-CB 4.2Å; L360-W452 HydrophobicContact CD2-CD2 3.71Å; L360-W452 HydrophobicContact CD2-CE3 4.37Å; L360-W452 HydrophobicContact CD2-CG 3.8Å; L360-W452 HydrophobicContact CD2-CZ2 4.08Å; L360-W452 HydrophobicContact CG-CD2 4.45Å; L360-W452 HydrophobicContact CG-CZ2 3.92Å; L360-M465 HydrophobicContact CB-CE 3.85Å; L360-M465 HydrophobicContact CB-SD 3.94Å; L360-M465 HydrophobicContact CD2-SD 4.46Å
361A92.8Very high70.5Confident32 Ų3289 Ų8926%0.26444%0.442SS..EExtended strand (participates in β ladder)trans-130.6124.9-176.500000111.3W381 F382 V383A361-W381 HydrophobicContact CB-CH2 4.3Å; A361-W381 HydrophobicContact CB-CZ2 3.52Å; A361-F382 CarbonylContact C-O 3.43Å; A361-F382 WeakPolarHBondContact CA-O 3.27Å; A361-V383 HydrophobicContact CB-CG2 4.06Å
362D94.3Very high70.9Confident46 Ų4689.7 Ų89.725%0.24645%0.446CS..EExtended strand (participates in β ladder)trans-153.7157.2-174.8-82-57.1000111.2L364 F382 W452D362-L364 HydrophobicContact CB-CD2 4.43Å; D362-L364 HydrophobicContact CB-CG 4.43Å; D362-F382 PolarHBondContact N-O 3.18Å; D362-F382 PolarHBondContact O-N 3.37Å; D362-W452 HydrophobicContact CB-CZ2 3.84Å; D362-W452 PolarHBondContact OD2-NE1 2.82Å
363T94.6Very high71.4Confident49 Ų4984 Ų8430%0.30143%0.426SS..EExtended strand (participates in β ladder)trans-78123.1166.9-55.10000109.6E379 Y380 Q448T363-E379 HydrophobicContact CG2-CG 3.27Å; T363-E379 WeakPolarHBondContact CG2-OE1 3.31Å; T363-Y380 WeakPolarHBondContact CA-O 3.48Å; T363-Q448 PolarHBondContact O-NE2 3.41Å
364L94Very high72Confident1 Ų186.3 Ų86.31%0.00544%0.437CS..EExtended strand (participates in β ladder)trans-134.1161.7179.4-55.5170.7000111D362 Y380 F382 I441 C443 Q448 W452D362-L364 HydrophobicContact CB-CD2 4.43Å; D362-L364 HydrophobicContact CB-CG 4.43Å; L364-Y380 PolarHBondContact N-O 3.18Å; L364-Y380 PolarHBondContact O-N 2.93Å; L364-F382 HydrophobicContact CB-CD2 3.57Å; L364-F382 HydrophobicContact CB-CE2 3.86Å; L364-F382 HydrophobicContact CB-CG 4.12Å; L364-F382 HydrophobicContact CD1-CB 3.78Å; L364-F382 HydrophobicContact CD1-CD1 4.14Å; L364-F382 HydrophobicContact CD1-CD2 4.11Å; L364-F382 HydrophobicContact CD1-CG 3.76Å; L364-F382 HydrophobicContact CG-CB 4.27Å; L364-F382 HydrophobicContact CG-CD2 4.15Å; L364-F382 HydrophobicContact CG-CG 4.25Å; L364-I441 HydrophobicContact CB-CG2 4Å; L364-I441 HydrophobicContact CD1-CG2 3.58Å; L364-I441 HydrophobicContact CG-CG2 4.28Å; L364-C443 HydrophobicContact CD2-CB 4.34Å; L364-Q448 HydrophobicContact CD2-CG 4.13Å; L364-W452 HydrophobicContact CD1-CD2 3.49Å; L364-W452 VanDerWaalsContact CD1-CD2 3.49Å; L364-W452 HydrophobicContact CD1-CE3 3.58Å; L364-W452 HydrophobicContact CD1-CG 4.19Å; L364-W452 HydrophobicContact CD1-CH2 3.88Å; L364-W452 HydrophobicContact CD1-CZ2 3.77Å; L364-W452 HydrophobicContact CD1-CZ3 3.77Å
365R93.1Very high72.7Confident72 Ų7286.8 Ų86.827%0.27243%0.43SS..EExtended strand (participates in β ladder)trans-102.7124.1179.3-74176.2-78.5169-7.1111.4Y377 K378 E379 I441 R442 D444R365-Y377 HydrophobicContact CB-CD1 3.98Å; R365-K378 CarbonylContact C-O 3.56Å; R365-K378 WeakPolarHBondContact CA-O 3.32Å; R365-E379 HydrophobicContact CG-CB 4.35Å; R365-E379 HydrophobicContact CG-CG 4.45Å; R365-I441 CarbonylContact O-C 3.56Å; R365-I441 WeakPolarHBondContact O-CA 3.3Å; R365-R442 HydrophobicContact CB-CB 4.09Å; R365-R442 PolarHBondContact N-O 2.87Å; R365-R442 PolarHBondContact O-N 3.47Å; R365-D444 IonicContact CZ-OD1 3.11Å; R365-D444 IonicContact NE-OD1 3.03Å; R365-D444 PolarHBondContact NE-OD1 3.44Å; R365-D444 IonicContact NH2-OD1 2.71Å; R365-D444 PolarHBondContact NH2-OD1 2.83Å
366L91.6Very high74.1Confident10 Ų1086 Ų865%0.05243%0.426CS..EExtended strand (participates in β ladder)trans-103.9134.7-178-172.761.7000111.7Y377 K378 Y380 F382 Y391 V439 Y440 I441L366-Y377 WeakPolarHBondContact O-CA 3.4Å; L366-K378 PolarHBondContact N-O 2.85Å; L366-K378 PolarHBondContact O-N 2.86Å; L366-Y380 HydrophobicContact CB-CD2 3.74Å; L366-Y380 HydrophobicContact CB-CE2 3.97Å; L366-Y380 HydrophobicContact CD2-CD2 4.1Å; L366-Y380 HydrophobicContact CD2-CE2 4.03Å; L366-F382 HydrophobicContact CB-CE2 4.38Å; L366-F382 HydrophobicContact CB-CZ 3.98Å; L366-F382 HydrophobicContact CD1-CZ 4Å; L366-F382 HydrophobicContact CD2-CZ 4.32Å; L366-F382 HydrophobicContact CG-CZ 4.32Å; L366-Y391 HydrophobicContact CD2-CD1 4.5Å; L366-Y391 HydrophobicContact CD2-CD2 4.35Å; L366-Y391 HydrophobicContact CD2-CE1 3.95Å; L366-Y391 HydrophobicContact CD2-CE2 3.79Å; L366-V439 HydrophobicContact CD1-CG1 3.21Å; L366-Y440 CarbonylContact C-O 3.51Å; L366-Y440 WeakPolarHBondContact CA-O 3.38Å; L366-I441 HydrophobicContact CD1-CG1 4.4Å
367F86.6Confident75.6Confident34 Ų3483.7 Ų83.715%0.14941%0.409CS..EExtended strand (participates in β ladder)trans-132.1141.8169.2170-98.9000111P369 L374 R375 Y377 Y440F367-P369 HydrophobicContact CE1-CB 4.34Å; F367-L374 HydrophobicContact CZ-CD2 4.29Å; F367-R375 WeakPolarHBondContact CD2-O 3.39Å; F367-R375 WeakPolarHBondContact CE2-O 3.36Å; F367-Y377 HydrophobicContact CB-CD1 3.53Å; F367-Y377 HydrophobicContact CB-CD2 4.06Å; F367-Y377 HydrophobicContact CB-CE1 3.4Å; F367-Y377 VanDerWaalsContact CB-CE1 3.4Å; F367-Y377 HydrophobicContact CB-CE2 3.94Å; F367-Y377 HydrophobicContact CB-CG 3.86Å; F367-Y377 HydrophobicContact CG-CE1 4.44Å; F367-Y377 HydrophobicContact CG-CE2 4.23Å; F367-Y440 AromaticContact CD1-CD2 3.66Å; F367-Y440 HydrophobicContact CD1-CD2 3.66Å; F367-Y440 HydrophobicContact CD1-CE2 4.32Å; F367-Y440 AromaticContact CD1-CG 3.9Å; F367-Y440 HydrophobicContact CD1-CG 3.9Å; F367-Y440 HydrophobicContact CE1-CD2 4.15Å; F367-Y440 HydrophobicContact CE1-CE2 4.37Å; F367-Y440 PolarHBondContact N-O 3.3Å; F367-Y440 PolarHBondContact O-N 2.89Å
368R82.5Confident77Confident63 Ų6384.6 Ų84.624%0.23841%0.41CS..  trans-133.9124.1174.9-70.2-162.4177.9119.90.2111.2K370 Y391 E404 M406 V439R368-K370 PolarHBondContact O-N 2.8Å; R368-Y391 PolarHBondContact NH1-OH 2.8Å; R368-Y391 VanDerWaalsContact NH1-OH 3.07Å; R368-E404 IonicContact CZ-OE1 3.61Å; R368-E404 IonicContact CZ-OE2 2.73Å; R368-E404 IonicContact NH1-OE1 2.78Å; R368-E404 IonicContact NH1-OE2 2.82Å; R368-E404 PolarHBondContact NH1-OE2 2.73Å; R368-E404 IonicContact NH2-OE1 3.52Å; R368-E404 PolarHBondContact NH2-OE1 3.05Å; R368-E404 IonicContact NH2-OE2 3.82Å; R368-E404 PolarHBondContact NH2-OE2 3.21Å; R368-M406 PolarHBondContact NH2-SD 3.38Å; R368-M406 VanDerWaalsContact NH2-SD 3.41Å; R368-V439 HydrophobicContact CG-CG2 4.5Å
369P68.3Low77.6Confident58 Ų5888 Ų8838%0.37742%0.421SS..  trans-71.7125.8173.827.8-30.5000110.4F367 E438 Y440F367-P369 HydrophobicContact CE1-CB 4.34Å; P369-E438 HydrophobicContact CG-CB 3.99Å; P369-Y440 HydrophobicContact CG-CE2 4.05Å
370K62.4Low77.9Confident154 Ų15485.5 Ų85.567%0.6741%0.408SS*.BIsolated β-bridgetrans-112.3142.5163.8-75.3-165.6176.1-169.20108.9R368 L372 S373R368-K370 PolarHBondContact O-N 2.8Å; K370-L372 PolarHBondContact O-N 2.88Å; K370-S373 PolarHBondContact O-N 2.84Å
371R51.6Low78Confident259 Ų25986.1 Ų86.198%0.97741%0.408SS*.THydrogen-bonded Turntrans-51.7-16.8-175.1-69.7-176.3177.2176-0.1115.6
372L44.6Very low78.2Confident175 Ų17584.6 Ų84.692%0.91640%0.396SS*.THydrogen-bonded Turntrans-141.812.3-174.8-70.9167.9000115.9K370K370-L372 PolarHBondContact O-N 2.88Å
373S47.4Very low78.2Confident61 Ų6183.1 Ų83.143%0.42739%0.388SS..BIsolated β-bridgetrans-157.9125.7169.178.70000112.8K370 R375K370-S373 PolarHBondContact O-N 2.84Å; S373-R375 PolarHBondContact O-N 3.48Å
374L49.1Very low78.1Confident159 Ų15980.8 Ų80.883%0.83237%0.374SS*.  trans-79.899.4170.9-68.6165.4000109.3F367F367-L374 HydrophobicContact CZ-CD2 4.29Å
375R57.9Low77.9Confident158 Ų15884.5 Ų84.560%0.59639%0.39SS*.PPolyproline II helixtrans-80.2138.7166.8-75-171.4177-166.7-2.1109.2F367 S373F367-R375 WeakPolarHBondContact CD2-O 3.39Å; F367-R375 WeakPolarHBondContact CE2-O 3.36Å; S373-R375 PolarHBondContact O-N 3.48Å
376P73.6Confident77.7Confident98 Ų9884.3 Ų84.364%0.63640%0.395SS*.PPolyproline II helixtrans-65.3160.517528.3-34.5000111.2K378P376-K378 PolarHBondContact O-N 3.19Å
377Y83.1Confident77.6Confident73 Ų7384.9 Ų84.929%0.28640%0.398SS..PPolyproline II helixtrans-51.7132.5168.8-81.6-92.3000110R365 L366 F367 R442R365-Y377 HydrophobicContact CB-CD1 3.98Å; L366-Y377 WeakPolarHBondContact O-CA 3.4Å; F367-Y377 HydrophobicContact CB-CD1 3.53Å; F367-Y377 HydrophobicContact CB-CD2 4.06Å; F367-Y377 HydrophobicContact CB-CE1 3.4Å; F367-Y377 VanDerWaalsContact CB-CE1 3.4Å; F367-Y377 HydrophobicContact CB-CE2 3.94Å; F367-Y377 HydrophobicContact CB-CG 3.86Å; F367-Y377 HydrophobicContact CG-CE1 4.44Å; F367-Y377 HydrophobicContact CG-CE2 4.23Å; Y377-R442 HydrophobicContact CD1-CB 4.12Å; Y377-R442 HydrophobicContact CE1-CB 3.75Å
378K89.6Confident77.8Confident97 Ų9784.1 Ų84.142%0.42240%0.397SS..EExtended strand (participates in β ladder)trans-117.4137.3175.6-72-170.5177-165.20110.3R365 L366 P376 Y380R365-K378 CarbonylContact C-O 3.56Å; R365-K378 WeakPolarHBondContact CA-O 3.32Å; L366-K378 PolarHBondContact N-O 2.85Å; L366-K378 PolarHBondContact O-N 2.86Å; P376-K378 PolarHBondContact O-N 3.19Å; K378-Y380 HydrophobicContact CB-CD2 4.3Å; K378-Y380 HydrophobicContact CB-CE2 3.51Å; K378-Y380 WeakPolarHBondContact CD-OH 3.47Å; K378-Y380 WeakPolarHBondContact O-CD2 3.32Å
379E92.8Very high78.4Confident127 Ų12781.1 Ų81.159%0.59339%0.385SS*.EExtended strand (participates in β ladder)trans-81.1135.4179-164172.1121.700110.7T363 R365T363-E379 HydrophobicContact CG2-CG 3.27Å; T363-E379 WeakPolarHBondContact CG2-OE1 3.31Å; R365-E379 HydrophobicContact CG-CB 4.35Å; R365-E379 HydrophobicContact CG-CG 4.45Å
380Y94Very high79.6Confident50 Ų5079 Ų7920%0.19637%0.372CS..EExtended strand (participates in β ladder)trans-143.3160.7177-63.1-77.1000109.9T363 L364 L366 K378 F382 Y391 F392 I403T363-Y380 WeakPolarHBondContact CA-O 3.48Å; L364-Y380 PolarHBondContact N-O 3.18Å; L364-Y380 PolarHBondContact O-N 2.93Å; L366-Y380 HydrophobicContact CB-CD2 3.74Å; L366-Y380 HydrophobicContact CB-CE2 3.97Å; L366-Y380 HydrophobicContact CD2-CD2 4.1Å; L366-Y380 HydrophobicContact CD2-CE2 4.03Å; K378-Y380 HydrophobicContact CB-CD2 4.3Å; K378-Y380 HydrophobicContact CB-CE2 3.51Å; K378-Y380 WeakPolarHBondContact CD-OH 3.47Å; K378-Y380 WeakPolarHBondContact O-CD2 3.32Å; Y380-F382 WeakPolarHBondContact O-CD2 3.5Å; Y380-Y391 HydrophobicContact CD1-CD2 4.04Å; Y380-Y391 HydrophobicContact CD1-CE2 4.36Å; Y380-Y391 HydrophobicContact CD2-CD2 4.11Å; Y380-Y391 HydrophobicContact CD2-CE2 4.28Å; Y380-Y391 HydrophobicContact CE2-CE2 4.42Å; Y380-Y391 AromaticContact CG-CD2 3.76Å; Y380-Y391 HydrophobicContact CG-CD2 3.76Å; Y380-Y391 HydrophobicContact CG-CE2 4.25Å; Y380-F392 WeakPolarHBondContact CB-O 3.46Å; Y380-I403 HydrophobicContact CD1-CD1 3.81Å; Y380-I403 HydrophobicContact CE1-CD1 3.78Å
381W94.7Very high81.1Confident32 Ų3272.1 Ų72.112%0.12134%0.342CS..EExtended strand (participates in β ladder)trans-87115.9170.2-179-103.2000109.3A361 Y391 F392 K395A361-W381 HydrophobicContact CB-CH2 4.3Å; A361-W381 HydrophobicContact CB-CZ2 3.52Å; W381-Y391 CarbonylContact O-C 3.53Å; W381-Y391 WeakPolarHBondContact O-CA 3.41Å; W381-Y391 WeakPolarHBondContact O-CB 3.49Å; W381-F392 HydrophobicContact CB-CB 4.45Å; W381-F392 PolarHBondContact N-O 2.82Å; W381-F392 PolarHBondContact O-N 3.25Å; W381-K395 HydrophobicContact CD2-CB 3.83Å; W381-K395 HydrophobicContact CD2-CG 4.06Å; W381-K395 HydrophobicContact CE3-CB 4.01Å; W381-K395 HydrophobicContact CE3-CG 4.34Å; W381-K395 HydrophobicContact CG-CB 4.17Å; W381-K395 HydrophobicContact CH2-CD 3.89Å; W381-K395 HydrophobicContact CH2-CG 4.24Å; W381-K395 HydrophobicContact CZ2-CD 3.98Å; W381-K395 HydrophobicContact CZ2-CG 3.9Å; W381-K395 HydrophobicContact CZ3-CB 4.46Å; W381-K395 HydrophobicContact CZ3-CD 4.16Å; W381-K395 HydrophobicContact CZ3-CG 4.44Å
382F96Very high83Confident0 Ų060.5 Ų60.50%030%0.299CS..EExtended strand (participates in β ladder)trans-99.9142.7-179.8-79.1-109.8000110.5A361 D362 L364 L366 Y380 I389 S390 Y391 M406 I441 W452A361-F382 CarbonylContact C-O 3.43Å; A361-F382 WeakPolarHBondContact CA-O 3.27Å; D362-F382 PolarHBondContact N-O 3.18Å; D362-F382 PolarHBondContact O-N 3.37Å; L364-F382 HydrophobicContact CB-CD2 3.57Å; L364-F382 HydrophobicContact CB-CE2 3.86Å; L364-F382 HydrophobicContact CB-CG 4.12Å; L364-F382 HydrophobicContact CD1-CB 3.78Å; L364-F382 HydrophobicContact CD1-CD1 4.14Å; L364-F382 HydrophobicContact CD1-CD2 4.11Å; L364-F382 HydrophobicContact CD1-CG 3.76Å; L364-F382 HydrophobicContact CG-CB 4.27Å; L364-F382 HydrophobicContact CG-CD2 4.15Å; L364-F382 HydrophobicContact CG-CG 4.25Å; L366-F382 HydrophobicContact CB-CE2 4.38Å; L366-F382 HydrophobicContact CB-CZ 3.98Å; L366-F382 HydrophobicContact CD1-CZ 4Å; L366-F382 HydrophobicContact CD2-CZ 4.32Å; L366-F382 HydrophobicContact CG-CZ 4.32Å; Y380-F382 WeakPolarHBondContact O-CD2 3.5Å; F382-I389 HydrophobicContact CD1-CG2 3.45Å; F382-I389 VanDerWaalsContact CD1-CG2 3.45Å; F382-I389 HydrophobicContact CE1-CG2 3.89Å; F382-S390 CarbonylContact C-O 3.52Å; F382-S390 WeakPolarHBondContact CA-O 3.26Å; F382-Y391 HydrophobicContact CE1-CD1 4.03Å; F382-Y391 HydrophobicContact CE1-CG 4.11Å; F382-Y391 HydrophobicContact CE2-CG 4.39Å; F382-Y391 HydrophobicContact CZ-CD1 4.22Å; F382-Y391 HydrophobicContact CZ-CG 4Å; F382-M406 HydrophobicContact CE1-CE 4.16Å; F382-I441 HydrophobicContact CD1-CD1 4.43Å; F382-I441 HydrophobicContact CE1-CD1 3.98Å; F382-I441 HydrophobicContact CE1-CG1 4.32Å; F382-W452 HydrophobicContact CB-CH2 3.45Å; F382-W452 VanDerWaalsContact CB-CH2 3.45Å; F382-W452 HydrophobicContact CB-CZ2 4.06Å; F382-W452 HydrophobicContact CB-CZ3 4.02Å; F382-W452 HydrophobicContact CD1-CZ3 4.5Å
383V94.1Very high85.2Confident15 Ų1560.4 Ų60.49%0.09129%0.291CS..EExtended strand (participates in β ladder)trans-130.3119.1174176.10000107.9E359 L360 A361 S390 F392E359-V383 VanDerWaalsContact CD-CG1 3.45Å; E359-V383 HydrophobicContact CG-CG1 3.67Å; E359-V383 WeakPolarHBondContact OE1-CG1 3.45Å; L360-V383 CarbonylContact O-C 3.5Å; A361-V383 HydrophobicContact CB-CG2 4.06Å; V383-S390 PolarHBondContact N-O 3.49Å; V383-S390 PolarHBondContact O-N 3.38Å; V383-F392 HydrophobicContact CB-CE2 4.18Å; V383-F392 HydrophobicContact CG2-CD2 4.24Å; V383-F392 HydrophobicContact CG2-CE2 3.81Å
384F93.9Very high87.2Confident1 Ų159.6 Ų59.60%0.00429%0.285CS..EExtended strand (participates in β ladder)trans-102.4120.9173.8-168.5-65.8000108.7E359 L360 D386 T388 I389 L408 W452 A455 A459 M465E359-F384 WeakPolarHBondContact CA-O 3.4Å; L360-F384 HydrophobicContact CB-CB 4.11Å; L360-F384 PolarHBondContact N-O 2.9Å; L360-F384 PolarHBondContact O-N 3.45Å; F384-D386 WeakPolarHBondContact CE1-O 2.93Å; F384-T388 WeakPolarHBondContact CA-O 2.83Å; F384-I389 HydrophobicContact CB-CG1 4.46Å; F384-I389 HydrophobicContact CD2-CD1 3.81Å; F384-I389 HydrophobicContact CD2-CG1 3.34Å; F384-I389 HydrophobicContact CE2-CD1 4.11Å; F384-I389 HydrophobicContact CE2-CG1 3.83Å; F384-I389 HydrophobicContact CG-CG1 4.16Å; F384-L408 HydrophobicContact CD2-CD1 4.35Å; F384-L408 HydrophobicContact CE2-CD1 3.44Å; F384-L408 VanDerWaalsContact CE2-CD1 3.44Å; F384-L408 HydrophobicContact CZ-CD1 3.98Å; F384-W452 HydrophobicContact CB-CH2 3.9Å; F384-W452 HydrophobicContact CB-CZ3 3.82Å; F384-W452 HydrophobicContact CD2-CE3 4.39Å; F384-W452 HydrophobicContact CD2-CZ3 4.14Å; F384-A455 HydrophobicContact CD1-CB 4.36Å; F384-A455 HydrophobicContact CD2-CB 4.05Å; F384-A455 HydrophobicContact CE1-CB 4.06Å; F384-A455 HydrophobicContact CE2-CB 3.71Å; F384-A455 HydrophobicContact CG-CB 4.38Å; F384-A455 HydrophobicContact CZ-CB 3.72Å; F384-A455 WeakPolarHBondContact CZ-O 3.37Å; F384-A459 HydrophobicContact CE1-CB 4.42Å; F384-A459 HydrophobicContact CE2-CB 4.46Å; F384-A459 HydrophobicContact CZ-CB 3.61Å; F384-M465 HydrophobicContact CD1-CE 3.61Å; F384-M465 HydrophobicContact CD1-SD 4Å; F384-M465 HydrophobicContact CE1-CE 4.23Å; F384-M465 HydrophobicContact CE1-CG 4.27Å; F384-M465 HydrophobicContact CE1-SD 4.29Å; F384-M465 HydrophobicContact CG-CE 4.42Å
385K90.2Very high89Confident79 Ų7958 Ų5834%0.34327%0.271SS..EExtended strand (participates in β ladder)trans-140.8134.7177.9-168169.5-175.1160.50110.1I357 T387 T388I357-K385 HydrophobicContact CG2-CD 4.43Å; I357-K385 HydrophobicContact CG2-CG 3.79Å; K385-T387 PolarHBondContact O-N 2.82Å; K385-T388 PolarHBondContact N-O 2.9Å; K385-T388 PolarHBondContact O-N 3.25Å; K385-T388 VanDerWaalsContact O-O 3.12Å; K385-T388 PolarHBondContact O-OG1 3.36Å
386D87.5Confident90.3Very high68 Ų6857.3 Ų57.336%0.36428%0.275SS..THydrogen-bonded Turntrans57-99.6-173.7-57.2-50.9000113.4I357 F384I357-D386 WeakPolarHBondContact CG2-OD1 3.42Å; F384-D386 WeakPolarHBondContact CE1-O 2.93Å
387T89.8Confident90.6Very high21 Ų2154.6 Ų54.613%0.12926%0.261CS..THydrogen-bonded Turntrans-125.311.1176.952.60000112K385 Q407 L408 A459 T464K385-T387 PolarHBondContact O-N 2.82Å; T387-Q407 VanDerWaalsContact C-OE1 3.31Å; T387-Q407 PolarHBondContact O-OE1 3.38Å; T387-Q407 PolarHBondContact OG1-NE2 3.35Å; T387-Q407 VanDerWaalsContact OG1-NE2 3.14Å; T387-Q407 PolarHBondContact OG1-OE1 3Å; T387-L408 VanDerWaalsContact O-CB 3.27Å; T387-L408 WeakPolarHBondContact O-CB 3.41Å; T387-L408 PolarHBondContact O-N 3.44Å; T387-A459 HydrophobicContact CG2-CB 4.09Å; T387-T464 HydrophobicContact CG2-CG2 4.35Å
388T91.1Very high90.4Very high18 Ų1853.4 Ų53.411%0.1126%0.263CS..EExtended strand (participates in β ladder)trans-115.9140.8-17360.60000111.7F384 K385 K405 M406F384-T388 WeakPolarHBondContact CA-O 2.83Å; K385-T388 PolarHBondContact N-O 2.9Å; K385-T388 PolarHBondContact O-N 3.25Å; K385-T388 VanDerWaalsContact O-O 3.12Å; K385-T388 PolarHBondContact O-OG1 3.36Å; T388-K405 WeakPolarHBondContact OG1-CE 3.45Å; T388-M406 WeakPolarHBondContact CA-O 3.29Å
389I94Very high89.7Confident0 Ų054.3 Ų54.30%028%0.282CS..EExtended strand (participates in β ladder)trans-104.5125.2165.9-70.6178000108.4F382 F384 K405 M406 L408 L428 I441 W452F382-I389 HydrophobicContact CD1-CG2 3.45Å; F382-I389 VanDerWaalsContact CD1-CG2 3.45Å; F382-I389 HydrophobicContact CE1-CG2 3.89Å; F384-I389 HydrophobicContact CB-CG1 4.46Å; F384-I389 HydrophobicContact CD2-CD1 3.81Å; F384-I389 HydrophobicContact CD2-CG1 3.34Å; F384-I389 HydrophobicContact CE2-CD1 4.11Å; F384-I389 HydrophobicContact CE2-CG1 3.83Å; F384-I389 HydrophobicContact CG-CG1 4.16Å; I389-K405 CarbonylContact O-C 3.15Å; I389-M406 HydrophobicContact CB-CE 3.84Å; I389-M406 HydrophobicContact CG2-CE 3.37Å; I389-M406 PolarHBondContact N-O 2.87Å; I389-M406 PolarHBondContact O-N 3.42Å; I389-L408 HydrophobicContact CD1-CD1 3.68Å; I389-L408 HydrophobicContact CD1-CD2 4.26Å; I389-L408 HydrophobicContact CD1-CG 4.39Å; I389-L408 HydrophobicContact CG1-CD1 3.81Å; I389-L408 HydrophobicContact CG1-CG 4.32Å; I389-L428 HydrophobicContact CD1-CD1 4.11Å; I389-I441 HydrophobicContact CD1-CD1 3.95Å; I389-W452 HydrophobicContact CD1-CE3 4.47Å; I389-W452 HydrophobicContact CD1-CZ3 4.2Å; I389-W452 HydrophobicContact CG1-CZ3 4.34Å
390S93.8Very high88.9Confident15 Ų1550.4 Ų50.411%0.10528%0.276CS..EExtended strand (participates in β ladder)trans-114.5146.1169.3-51.60000109F382 V383 E404F382-S390 CarbonylContact C-O 3.52Å; F382-S390 WeakPolarHBondContact CA-O 3.26Å; V383-S390 PolarHBondContact N-O 3.49Å; V383-S390 PolarHBondContact O-N 3.38Å; S390-E404 WeakPolarHBondContact CA-O 3.49Å
391Y93.4Very high88.3Confident8 Ų856.9 Ų56.93%0.03131%0.308CS..EExtended strand (participates in β ladder)trans-137.8152.3174.568.5-88000112.9L366 R368 Y380 W381 F382 I403 E404 M406L366-Y391 HydrophobicContact CD2-CD1 4.5Å; L366-Y391 HydrophobicContact CD2-CD2 4.35Å; L366-Y391 HydrophobicContact CD2-CE1 3.95Å; L366-Y391 HydrophobicContact CD2-CE2 3.79Å; R368-Y391 PolarHBondContact NH1-OH 2.8Å; R368-Y391 VanDerWaalsContact NH1-OH 3.07Å; Y380-Y391 HydrophobicContact CD1-CD2 4.04Å; Y380-Y391 HydrophobicContact CD1-CE2 4.36Å; Y380-Y391 HydrophobicContact CD2-CD2 4.11Å; Y380-Y391 HydrophobicContact CD2-CE2 4.28Å; Y380-Y391 HydrophobicContact CE2-CE2 4.42Å; Y380-Y391 AromaticContact CG-CD2 3.76Å; Y380-Y391 HydrophobicContact CG-CD2 3.76Å; Y380-Y391 HydrophobicContact CG-CE2 4.25Å; W381-Y391 CarbonylContact O-C 3.53Å; W381-Y391 WeakPolarHBondContact O-CA 3.41Å; W381-Y391 WeakPolarHBondContact O-CB 3.49Å; F382-Y391 HydrophobicContact CE1-CD1 4.03Å; F382-Y391 HydrophobicContact CE1-CG 4.11Å; F382-Y391 HydrophobicContact CE2-CG 4.39Å; F382-Y391 HydrophobicContact CZ-CD1 4.22Å; F382-Y391 HydrophobicContact CZ-CG 4Å; Y391-I403 HydrophobicContact CD2-CB 4.11Å; Y391-I403 HydrophobicContact CD2-CD1 4.21Å; Y391-I403 HydrophobicContact CD2-CG2 4.49Å; Y391-I403 HydrophobicContact CE2-CB 3.74Å; Y391-I403 HydrophobicContact CE2-CD1 4.16Å; Y391-I403 HydrophobicContact CE2-CG2 3.64Å; Y391-I403 WeakPolarHBondContact O-CB 3.42Å; Y391-I403 PolarHBondContact O-N 3.03Å; Y391-E404 HydrophobicContact CD1-CB 4.47Å; Y391-E404 HydrophobicContact CE1-CB 3.59Å; Y391-E404 HydrophobicContact CE1-CG 4.35Å; Y391-E404 PolarHBondContact N-O 2.69Å; Y391-E404 PolarHBondContact OH-OE2 2.74Å; Y391-M406 HydrophobicContact CD1-CE 3.99Å; Y391-M406 HydrophobicContact CE1-CE 4.18Å; Y391-M406 HydrophobicContact CE1-SD 4.46Å
392F93.4Very high88.1Confident16 Ų1657.8 Ų57.87%0.0732%0.318CS..EExtended strand (participates in β ladder)trans-132.1162.6-169.7-54.5-95.2000110.4Y380 W381 V383 S394 A397 G400 P402Y380-F392 WeakPolarHBondContact CB-O 3.46Å; W381-F392 HydrophobicContact CB-CB 4.45Å; W381-F392 PolarHBondContact N-O 2.82Å; W381-F392 PolarHBondContact O-N 3.25Å; V383-F392 HydrophobicContact CB-CE2 4.18Å; V383-F392 HydrophobicContact CG2-CD2 4.24Å; V383-F392 HydrophobicContact CG2-CE2 3.81Å; F392-S394 VanDerWaalsContact C-N 3.29Å; F392-S394 PolarHBondContact O-N 2.77Å; F392-A397 HydrophobicContact CB-CB 4.49Å; F392-A397 VanDerWaalsContact CD1-O 3.24Å; F392-A397 WeakPolarHBondContact CD1-O 3.45Å; F392-G400 WeakPolarHBondContact CE1-O 3.23Å; F392-P402 HydrophobicContact CD1-CB 4.23Å; F392-P402 HydrophobicContact CE1-CB 3.67Å; F392-P402 HydrophobicContact CE1-CG 4.47Å; F392-P402 HydrophobicContact CE2-CB 4.37Å; F392-P402 HydrophobicContact CZ-CB 3.75Å
393K89.9Confident87.8Confident173 Ų17362.1 Ų62.175%0.75234%0.34SS*.SBendtrans-63.9-35.7-179.5-168.9178177.8-1740112.5I403K393-I403 HydrophobicContact CB-CD1 4.26Å
394S88.3Confident87.5Confident44 Ų4464 Ų6431%0.30835%0.348SS..SBendtrans-156.7171.8176.972.10000109.8F392 E396 A397F392-S394 VanDerWaalsContact C-N 3.29Å; F392-S394 PolarHBondContact O-N 2.77Å; S394-E396 VanDerWaalsContact C-N 3.27Å; S394-E396 WeakPolarHBondContact CB-OE2 3.46Å; S394-E396 PolarHBondContact O-N 2.9Å; S394-E396 PolarHBondContact OG-OE2 3.19Å; S394-A397 PolarHBondContact O-N 3.14Å
395K87.8Confident87.3Confident124 Ų12470.4 Ų70.454%0.53938%0.376SS..G310 helixtrans-61.3-36.4178.6-175.3175.3-178.9179.40112W381 A397 S398W381-K395 HydrophobicContact CD2-CB 3.83Å; W381-K395 HydrophobicContact CD2-CG 4.06Å; W381-K395 HydrophobicContact CE3-CB 4.01Å; W381-K395 HydrophobicContact CE3-CG 4.34Å; W381-K395 HydrophobicContact CG-CB 4.17Å; W381-K395 HydrophobicContact CH2-CD 3.89Å; W381-K395 HydrophobicContact CH2-CG 4.24Å; W381-K395 HydrophobicContact CZ2-CD 3.98Å; W381-K395 HydrophobicContact CZ2-CG 3.9Å; W381-K395 HydrophobicContact CZ3-CB 4.46Å; W381-K395 HydrophobicContact CZ3-CD 4.16Å; W381-K395 HydrophobicContact CZ3-CG 4.44Å; K395-A397 PolarHBondContact O-N 2.86Å; K395-S398 VanDerWaalsContact O-CB 3.24Å; K395-S398 WeakPolarHBondContact O-CB 2.99Å; K395-S398 PolarHBondContact O-N 2.94Å; K395-S398 VanDerWaalsContact O-N 3.14Å; K395-S398 PolarHBondContact O-OG 2.91Å
396E84.5Confident87.2Confident145 Ų14566.9 Ų66.968%0.67836%0.36SS*.G310 helixtrans-68.5-26.2179.7-54.270.7-14700111.9S394 S398S394-E396 VanDerWaalsContact C-N 3.27Å; S394-E396 WeakPolarHBondContact CB-OE2 3.46Å; S394-E396 PolarHBondContact O-N 2.9Å; S394-E396 PolarHBondContact OG-OE2 3.19Å; E396-S398 VanDerWaalsContact C-N 3.32Å
397A80.5Confident87.3Confident41 Ų4168.1 Ų68.134%0.33936%0.364SS..G310 helixtrans-84.9-2.3176.100000113.5F392 S394 K395 S399 G400F392-A397 HydrophobicContact CB-CB 4.49Å; F392-A397 VanDerWaalsContact CD1-O 3.24Å; F392-A397 WeakPolarHBondContact CD1-O 3.45Å; S394-A397 PolarHBondContact O-N 3.14Å; K395-A397 PolarHBondContact O-N 2.86Å; A397-S399 PolarHBondContact O-N 3.18Å; A397-G400 PolarHBondContact O-N 3.35Å; A397-G400 VanDerWaalsContact O-N 3.11Å
398S78.1Confident87.2Confident47 Ų4767.1 Ų67.133%0.32936%0.358SS..G310 helixtrans-67.8-17.3-178.665.90000114.5K395 E396 G400K395-S398 VanDerWaalsContact O-CB 3.24Å; K395-S398 WeakPolarHBondContact O-CB 2.99Å; K395-S398 PolarHBondContact O-N 2.94Å; K395-S398 VanDerWaalsContact O-N 3.14Å; K395-S398 PolarHBondContact O-OG 2.91Å; E396-S398 VanDerWaalsContact C-N 3.32Å; S398-G400 VanDerWaalsContact C-N 3.31Å
399S74.9Confident86.9Confident116 Ų11674.5 Ų74.581%0.81138%0.384SS*.G310 helixtrans-81.1-7.9173.2560000113.8A397A397-S399 PolarHBondContact O-N 3.18Å
400G77.6Confident86Confident46 Ų4675.7 Ų75.747%0.47440%0.396SS..SBendtrans-96.7-163.3177.200000113.4F392 A397 S398F392-G400 WeakPolarHBondContact CE1-O 3.23Å; A397-G400 PolarHBondContact O-N 3.35Å; A397-G400 VanDerWaalsContact O-N 3.11Å; S398-G400 VanDerWaalsContact C-N 3.31Å
401E81.8Confident85.6Confident186 Ų18675.2 Ų75.287%0.86939%0.392SS*.  trans-72.7135.3173.3-71.4-169.8157.400111.4
402P88.8Confident85Confident51 Ų5177.2 Ų77.233%0.33140%0.402SS..  trans-66.2145.5176.228.1-33.7000110.6F392 E404F392-P402 HydrophobicContact CD1-CB 4.23Å; F392-P402 HydrophobicContact CE1-CB 3.67Å; F392-P402 HydrophobicContact CE1-CG 4.47Å; F392-P402 HydrophobicContact CE2-CB 4.37Å; F392-P402 HydrophobicContact CZ-CB 3.75Å; P402-E404 PolarHBondContact O-N 3Å
403I89.6Confident84.7Confident91 Ų9177.6 Ų77.647%0.46741%0.406SS..SBendtrans-56.9-38.9174-64.5172.9000109.5Y380 Y391 K393Y380-I403 HydrophobicContact CD1-CD1 3.81Å; Y380-I403 HydrophobicContact CE1-CD1 3.78Å; Y391-I403 HydrophobicContact CD2-CB 4.11Å; Y391-I403 HydrophobicContact CD2-CD1 4.21Å; Y391-I403 HydrophobicContact CD2-CG2 4.49Å; Y391-I403 HydrophobicContact CE2-CB 3.74Å; Y391-I403 HydrophobicContact CE2-CD1 4.16Å; Y391-I403 HydrophobicContact CE2-CG2 3.64Å; Y391-I403 WeakPolarHBondContact O-CB 3.42Å; Y391-I403 PolarHBondContact O-N 3.03Å; K393-I403 HydrophobicContact CB-CD1 4.26Å
404E88.2Confident84.2Confident55 Ų5571.6 Ų71.626%0.25738%0.384SS..EExtended strand (participates in β ladder)trans-160.2150.8174.3-174.3-177.3165.100109.9R368 S390 Y391 P402 M406R368-E404 IonicContact CZ-OE1 3.61Å; R368-E404 IonicContact CZ-OE2 2.73Å; R368-E404 IonicContact NH1-OE1 2.78Å; R368-E404 IonicContact NH1-OE2 2.82Å; R368-E404 PolarHBondContact NH1-OE2 2.73Å; R368-E404 IonicContact NH2-OE1 3.52Å; R368-E404 PolarHBondContact NH2-OE1 3.05Å; R368-E404 IonicContact NH2-OE2 3.82Å; R368-E404 PolarHBondContact NH2-OE2 3.21Å; S390-E404 WeakPolarHBondContact CA-O 3.49Å; Y391-E404 HydrophobicContact CD1-CB 4.47Å; Y391-E404 HydrophobicContact CE1-CB 3.59Å; Y391-E404 HydrophobicContact CE1-CG 4.35Å; Y391-E404 PolarHBondContact N-O 2.69Å; Y391-E404 PolarHBondContact OH-OE2 2.74Å; P402-E404 PolarHBondContact O-N 3Å; E404-M406 HydrophobicContact CG-CG 4.29Å
405K89.6Confident84Confident134 Ų13472.4 Ų72.458%0.58339%0.388SS*.EExtended strand (participates in β ladder)trans-118.4122.1172.9-174.4168.4-178.7175.70109T388 I389T388-K405 WeakPolarHBondContact OG1-CE 3.45Å; I389-K405 CarbonylContact O-C 3.15Å
406M89.6Confident83.8Confident5 Ų568.6 Ų68.63%0.02537%0.373CS..EExtended strand (participates in β ladder)trans-108.9119-176.7-61.6177-64.800108.9R368 F382 T388 I389 Y391 E404 L430 V439R368-M406 PolarHBondContact NH2-SD 3.38Å; R368-M406 VanDerWaalsContact NH2-SD 3.41Å; F382-M406 HydrophobicContact CE1-CE 4.16Å; T388-M406 WeakPolarHBondContact CA-O 3.29Å; I389-M406 HydrophobicContact CB-CE 3.84Å; I389-M406 HydrophobicContact CG2-CE 3.37Å; I389-M406 PolarHBondContact N-O 2.87Å; I389-M406 PolarHBondContact O-N 3.42Å; Y391-M406 HydrophobicContact CD1-CE 3.99Å; Y391-M406 HydrophobicContact CE1-CE 4.18Å; Y391-M406 HydrophobicContact CE1-SD 4.46Å; E404-M406 HydrophobicContact CG-CG 4.29Å; M406-L430 HydrophobicContact CB-CD1 3.87Å; M406-L430 HydrophobicContact CG-CD1 3.78Å; M406-L430 HydrophobicContact SD-CD1 3.66Å; M406-V439 HydrophobicContact SD-CG1 4.13Å; M406-V439 HydrophobicContact SD-CG2 4.24Å
407Q88.4Confident83.7Confident94 Ų9463 Ų6344%0.43935%0.349SS..EExtended strand (participates in β ladder)trans-85.5124.1174.3178.258.3-30.400109.9T387 R409T387-Q407 VanDerWaalsContact C-OE1 3.31Å; T387-Q407 PolarHBondContact O-OE1 3.38Å; T387-Q407 PolarHBondContact OG1-NE2 3.35Å; T387-Q407 VanDerWaalsContact OG1-NE2 3.14Å; T387-Q407 PolarHBondContact OG1-OE1 3Å; Q407-R409 HydrophobicContact CG-CB 4.34Å
408L88.9Confident83.3Confident0 Ų063 Ų630%034%0.343CS..  trans-94.2-7.7-173.1-58.8-174.2000113.8F384 T387 I389 G410 C411 L428 L430 C456 A459 S460F384-L408 HydrophobicContact CD2-CD1 4.35Å; F384-L408 HydrophobicContact CE2-CD1 3.44Å; F384-L408 VanDerWaalsContact CE2-CD1 3.44Å; F384-L408 HydrophobicContact CZ-CD1 3.98Å; T387-L408 VanDerWaalsContact O-CB 3.27Å; T387-L408 WeakPolarHBondContact O-CB 3.41Å; T387-L408 PolarHBondContact O-N 3.44Å; I389-L408 HydrophobicContact CD1-CD1 3.68Å; I389-L408 HydrophobicContact CD1-CD2 4.26Å; I389-L408 HydrophobicContact CD1-CG 4.39Å; I389-L408 HydrophobicContact CG1-CD1 3.81Å; I389-L408 HydrophobicContact CG1-CG 4.32Å; L408-G410 PolarHBondContact O-N 3.39Å; L408-G410 VanDerWaalsContact O-N 3.11Å; L408-C411 VanDerWaalsContact O-CB 3.24Å; L408-C411 WeakPolarHBondContact O-CB 3.23Å; L408-C411 PolarHBondContact O-N 3.41Å; L408-C411 PolarHBondContact O-SG 3.13Å; L408-L428 HydrophobicContact CD2-CD1 3.99Å; L408-L430 HydrophobicContact CD2-CD2 3.55Å; L408-C456 HydrophobicContact CD1-CB 4.35Å; L408-A459 HydrophobicContact CB-CB 3.85Å; L408-A459 HydrophobicContact CD1-CB 4.05Å; L408-S460 WeakPolarHBondContact O-CA 3.46Å
409R83.2Confident83.2Confident174 Ų17461.4 Ų61.466%0.65733%0.332SS*.THydrogen-bonded Turntrans-57120.7179.4-164.4176.7-169.4-177.83.6110.5Q407 C411 A459Q407-R409 HydrophobicContact CG-CB 4.34Å; R409-C411 VanDerWaalsContact C-N 3.3Å; R409-C411 PolarHBondContact O-N 2.92Å; R409-A459 WeakPolarHBondContact CA-O 3.43Å
410G76.1Confident83Confident24 Ų2460.4 Ų60.425%0.24732%0.32CS..THydrogen-bonded Turntrans75.98.5-177.100000115.6L408 S460L408-G410 PolarHBondContact O-N 3.39Å; L408-G410 VanDerWaalsContact O-N 3.11Å; G410-S460 WeakPolarHBondContact CA-O 3.31Å; G410-S460 PolarHBondContact N-O 3.14Å
411C85.7Confident82.8Confident5 Ų564.6 Ų64.63%0.03433%0.328CS..  trans-72159.7173.181.90000111.5L408 R409 L429 L430 S460L408-C411 VanDerWaalsContact O-CB 3.24Å; L408-C411 WeakPolarHBondContact O-CB 3.23Å; L408-C411 PolarHBondContact O-N 3.41Å; L408-C411 PolarHBondContact O-SG 3.13Å; R409-C411 VanDerWaalsContact C-N 3.3Å; R409-C411 PolarHBondContact O-N 2.92Å; C411-L429 WeakPolarHBondContact CA-O 3.45Å; C411-L429 WeakPolarHBondContact CB-O 3.39Å; C411-L430 HydrophobicContact CB-CD2 3.97Å; C411-S460 VanDerWaalsContact O-CB 3.25Å; C411-S460 WeakPolarHBondContact O-CB 3.43Å
412E79.7Confident82.7Confident51 Ų5163.2 Ų63.224%0.23832%0.319CS..EExtended strand (participates in β ladder)trans-102.4130.8170.3-163172.4151.500110V414 L428 L429 R594E412-V414 HydrophobicContact CG-CG2 4.01Å; E412-L428 WeakPolarHBondContact O-CA 3.38Å; E412-L429 HydrophobicContact CB-CB 3.97Å; E412-L429 HydrophobicContact CB-CD1 4.04Å; E412-L429 HydrophobicContact CB-CG 4.33Å; E412-L429 HydrophobicContact CG-CD1 4.43Å; E412-L429 PolarHBondContact N-O 2.88Å; E412-L429 VanDerWaalsContact N-O 3.15Å; E412-L429 PolarHBondContact O-N 3.4Å; E412-R594 IonicContact OE2-CZ 3.4Å; E412-R594 IonicContact OE2-NH1 2.73Å; E412-R594 IonicContact OE2-NH2 3.46Å; E412-R594 PolarHBondContact OE2-NH2 3.2Å
413V86.7Confident82.6Confident23 Ų2363.4 Ų63.414%0.13932%0.315CS..EExtended strand (participates in β ladder)trans-109.696.8-177.4-172.30000107.7I426 L428 K453 C456 I457V413-I426 HydrophobicContact CG1-CG2 3.69Å; V413-L428 HydrophobicContact CB-CD2 4.39Å; V413-L428 HydrophobicContact CG1-CD2 4.16Å; V413-L428 HydrophobicContact CG2-CD2 3.92Å; V413-K453 HydrophobicContact CG1-CG 4.37Å; V413-C456 HydrophobicContact CB-CB 4.44Å; V413-C456 HydrophobicContact CG1-CB 3.79Å; V413-C456 HydrophobicContact CG2-CB 3.73Å; V413-I457 HydrophobicContact CB-CG1 4.29Å; V413-I457 HydrophobicContact CG1-CG1 4.2Å
414V79.4Confident82.7Confident48 Ų4859.4 Ų59.429%0.29129%0.294SS..EExtended strand (participates in β ladder)trans-97.6124.9-179.5-178.80000108.8E412 K427E412-V414 HydrophobicContact CG-CG2 4.01Å; V414-K427 HydrophobicContact CB-CB 4.15Å; V414-K427 PolarHBondContact N-O 2.96Å; V414-K427 PolarHBondContact O-N 2.86Å
415P85.1Confident82.7Confident61 Ų6156.9 Ų56.940%0.39628%0.283SS..EExtended strand (participates in β ladder)trans-68.5133.2173.227.9-32.1000110.8Y449P415-Y449 WeakPolarHBondContact CB-OH 3.44Å
416D82.5Confident82.9Confident43 Ų4350.6 Ų50.623%0.2326%0.255CS..EExtended strand (participates in β ladder)trans-121.468.5168.1179.122.8000108.5K423 G425D416-K423 WeakPolarHBondContact OD1-CE 3.43Å; D416-K423 IonicContact OD1-NZ 2.67Å; D416-K423 PolarHBondContact OD1-NZ 2.88Å; D416-K423 WeakPolarHBondContact OD2-CE 3.19Å; D416-K423 IonicContact OD2-NZ 2.84Å; D416-K423 PolarHBondContact OD2-NZ 3.37Å; D416-G425 CarbonylContact C-O 3.57Å; D416-G425 WeakPolarHBondContact CA-O 3.42Å; D416-G425 PolarHBondContact N-O 3.24Å; D416-G425 WeakPolarHBondContact O-CA 3.33Å; D416-G425 PolarHBondContact O-N 3.47Å
417V82.6Confident82.9Confident28 Ų2852.2 Ų52.217%0.1726%0.262CS..EExtended strand (participates in β ladder)trans-113.2127.4-172.9179.20000111.8V419 K423 F424 Y449 L481V417-V419 HydrophobicContact CG1-CG2 3.71Å; V417-K423 CarbonylContact C-O 3.38Å; V417-K423 VanDerWaalsContact CA-O 3.24Å; V417-K423 WeakPolarHBondContact CA-O 3.23Å; V417-F424 HydrophobicContact CG1-CD1 3.93Å; V417-F424 HydrophobicContact CG1-CE1 4.28Å; V417-Y449 HydrophobicContact CG2-CD1 4.33Å; V417-Y449 HydrophobicContact CG2-CD2 4.1Å; V417-Y449 HydrophobicContact CG2-CE1 3.64Å; V417-Y449 HydrophobicContact CG2-CE2 3.38Å; V417-Y449 WeakPolarHBondContact CG2-OH 3.22Å; V417-L481 HydrophobicContact CG1-CD2 3.75Å
418N73.2Confident83Confident41 Ų4147.8 Ų47.822%0.21924%0.242CC..EExtended strand (participates in β ladder)trans-124.8108.6160.7-176.7-18.7000108T420 E421 K422 K423N418-T420 PolarHBondContact OD1-N 3.22Å; N418-T420 VanDerWaalsContact OD1-N 3.12Å; N418-T420 PolarHBondContact OD1-OG1 3.42Å; N418-E421 HydrophobicContact CB-CB 4.2Å; N418-E421 VanDerWaalsContact ND2-CG 3.34Å; N418-E421 WeakPolarHBondContact ND2-CG 3.22Å; N418-E421 PolarHBondContact ND2-OE2 3.48Å; N418-E421 PolarHBondContact OD1-N 3.15Å; N418-K422 PolarHBondContact O-N 3.28Å; N418-K423 HydrophobicContact CB-CB 4.04Å; N418-K423 PolarHBondContact N-O 2.58Å; N418-K423 PolarHBondContact O-N 2.98Å
419V74.9Confident82.8Confident14 Ų1448.8 Ų48.89%0.08525%0.247CC..THydrogen-bonded Turntrans-71.1-36-174.5-170.30000111.5V417 E421 K422 F424 E446 L481 K484V417-V419 HydrophobicContact CG1-CG2 3.71Å; V419-E421 PolarHBondContact O-N 3.27Å; V419-K422 PolarHBondContact O-N 3.49Å; V419-K422 VanDerWaalsContact O-N 3.14Å; V419-F424 HydrophobicContact CG1-CE1 4.25Å; V419-F424 HydrophobicContact CG1-CZ 4.37Å; V419-F424 HydrophobicContact CG2-CE1 4.34Å; V419-E446 VanDerWaalsContact CG1-OE1 3.31Å; V419-E446 WeakPolarHBondContact CG1-OE1 3.42Å; V419-L481 HydrophobicContact CG2-CD2 4.06Å; V419-K484 HydrophobicContact CB-CB 4.39Å; V419-K484 HydrophobicContact CG2-CB 3.63Å
420T71.1Confident82.9Confident94 Ų9441 Ų4158%0.57722%0.218SC*.THydrogen-bonded Turntrans-64.7-39.9178.164.70000112.4N418 K422N418-T420 PolarHBondContact OD1-N 3.22Å; N418-T420 VanDerWaalsContact OD1-N 3.12Å; N418-T420 PolarHBondContact OD1-OG1 3.42Å; T420-K422 VanDerWaalsContact C-N 3.26Å; T420-K422 PolarHBondContact O-N 2.93Å
421E73.9Confident82.7Confident134 Ų13442.5 Ų42.563%0.62622%0.223SC*.THydrogen-bonded Turntrans-84.55.7176.9-67.6179.6173.300113.5N418 V419 K423N418-E421 HydrophobicContact CB-CB 4.2Å; N418-E421 VanDerWaalsContact ND2-CG 3.34Å; N418-E421 WeakPolarHBondContact ND2-CG 3.22Å; N418-E421 PolarHBondContact ND2-OE2 3.48Å; N418-E421 PolarHBondContact OD1-N 3.15Å; V419-E421 PolarHBondContact O-N 3.27Å; E421-K423 HydrophobicContact CB-CB 4.44Å; E421-K423 PolarHBondContact O-N 2.84Å; E421-K423 VanDerWaalsContact O-N 3.16Å
422K80.4Confident82.3Confident158 Ų15845.9 Ų45.969%0.68724%0.244SC*.THydrogen-bonded Turntrans49.339-172.7-59.1-177.2178.4-178.30112.1N418 V419 T420 F424N418-K422 PolarHBondContact O-N 3.28Å; V419-K422 PolarHBondContact O-N 3.49Å; V419-K422 VanDerWaalsContact O-N 3.14Å; T420-K422 VanDerWaalsContact C-N 3.26Å; T420-K422 PolarHBondContact O-N 2.93Å; K422-F424 HydrophobicContact CB-CE2 4.14Å
423K85.2Confident81.7Confident55 Ų5546.9 Ų46.924%0.23926%0.261CS..EExtended strand (participates in β ladder)trans-97.6107176.5-171.1-170.1-178.5-161.10108D416 V417 N418 E421D416-K423 WeakPolarHBondContact OD1-CE 3.43Å; D416-K423 IonicContact OD1-NZ 2.67Å; D416-K423 PolarHBondContact OD1-NZ 2.88Å; D416-K423 WeakPolarHBondContact OD2-CE 3.19Å; D416-K423 IonicContact OD2-NZ 2.84Å; D416-K423 PolarHBondContact OD2-NZ 3.37Å; V417-K423 CarbonylContact C-O 3.38Å; V417-K423 VanDerWaalsContact CA-O 3.24Å; V417-K423 WeakPolarHBondContact CA-O 3.23Å; N418-K423 HydrophobicContact CB-CB 4.04Å; N418-K423 PolarHBondContact N-O 2.58Å; N418-K423 PolarHBondContact O-N 2.98Å; E421-K423 HydrophobicContact CB-CB 4.44Å; E421-K423 PolarHBondContact O-N 2.84Å; E421-K423 VanDerWaalsContact O-N 3.16Å
424F91.4Very high80.5Confident6 Ų654 Ų543%0.02630%0.298CS..EExtended strand (participates in β ladder)trans-115.876.7178.2-55.2-70.8000110.5V417 V419 K422 C443 E446 Y449V417-F424 HydrophobicContact CG1-CD1 3.93Å; V417-F424 HydrophobicContact CG1-CE1 4.28Å; V419-F424 HydrophobicContact CG1-CE1 4.25Å; V419-F424 HydrophobicContact CG1-CZ 4.37Å; V419-F424 HydrophobicContact CG2-CE1 4.34Å; K422-F424 HydrophobicContact CB-CE2 4.14Å; F424-C443 HydrophobicContact CB-CB 4.11Å; F424-C443 PolarHBondContact O-N 3.27Å; F424-E446 HydrophobicContact CD1-CG 4.3Å; F424-E446 HydrophobicContact CE1-CB 4.4Å; F424-E446 HydrophobicContact CE1-CG 3.39Å; F424-E446 HydrophobicContact CE2-CG 4.26Å; F424-E446 HydrophobicContact CZ-CB 4.5Å; F424-E446 HydrophobicContact CZ-CG 3.37Å; F424-Y449 HydrophobicContact CB-CD2 4.03Å; F424-Y449 HydrophobicContact CB-CG 3.98Å; F424-Y449 HydrophobicContact CD1-CG 4.49Å
425G89.6Confident80.1Confident3 Ų353.5 Ų53.53%0.03130%0.303CS..EExtended strand (participates in β ladder)trans-97.9144.1-178.400000113D416 I441 Y449D416-G425 CarbonylContact C-O 3.57Å; D416-G425 WeakPolarHBondContact CA-O 3.42Å; D416-G425 PolarHBondContact N-O 3.24Å; D416-G425 WeakPolarHBondContact O-CA 3.33Å; D416-G425 PolarHBondContact O-N 3.47Å; G425-I441 CarbonylContact C-O 3.55Å; G425-I441 WeakPolarHBondContact CA-O 3.44Å; G425-Y449 WeakPolarHBondContact O-CE2 3.48Å
426I93.1Very high79.5Confident1 Ų153.9 Ų53.91%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-119.8115.3168.6-55.9168.4000106.4V413 L428 I441 Y449 W452 K453V413-I426 HydrophobicContact CG1-CG2 3.69Å; I426-L428 HydrophobicContact CG2-CD2 3.79Å; I426-L428 HydrophobicContact CG2-CG 4.16Å; I426-I441 HydrophobicContact CB-CB 4.47Å; I426-I441 PolarHBondContact N-O 3.11Å; I426-I441 PolarHBondContact O-N 3.16Å; I426-Y449 HydrophobicContact CD1-CD2 4.09Å; I426-Y449 HydrophobicContact CD1-CE2 4.24Å; I426-Y449 HydrophobicContact CG1-CD2 3.67Å; I426-Y449 HydrophobicContact CG1-CE2 3.46Å; I426-Y449 VanDerWaalsContact CG1-CE2 3.46Å; I426-W452 HydrophobicContact CD1-CB 3.84Å; I426-K453 HydrophobicContact CD1-CB 4.03Å; I426-K453 HydrophobicContact CG1-CB 4.4Å
427K89.1Confident79.4Confident40 Ų4054.3 Ų54.317%0.17430%0.303CS..EExtended strand (participates in β ladder)trans-90.9115.7170.6179.9-177.3-175.2-178.20108.2V414 L429 E438 Y440V414-K427 HydrophobicContact CB-CB 4.15Å; V414-K427 PolarHBondContact N-O 2.96Å; V414-K427 PolarHBondContact O-N 2.86Å; K427-L429 HydrophobicContact CD-CD2 4.5Å; K427-E438 WeakPolarHBondContact CE-OE1 3.36Å; K427-E438 VanDerWaalsContact NZ-CD 3.28Å; K427-E438 IonicContact NZ-OE1 2.98Å; K427-E438 PolarHBondContact NZ-OE1 3.05Å; K427-E438 IonicContact NZ-OE2 2.75Å; K427-E438 PolarHBondContact NZ-OE2 3.27Å; K427-Y440 HydrophobicContact CB-CD1 4.05Å; K427-Y440 HydrophobicContact CB-CE1 3.98Å; K427-Y440 HydrophobicContact CD-CE1 3.7Å; K427-Y440 HydrophobicContact CD-CE2 4.45Å; K427-Y440 WeakPolarHBondContact CE-OH 3.44Å; K427-Y440 HydrophobicContact CG-CD1 4.13Å; K427-Y440 HydrophobicContact CG-CE1 3.76Å; K427-Y440 HydrophobicContact CG-CE2 4.36Å; K427-Y440 PolarHBondContact NZ-OH 2.58Å
428L90.3Very high79.6Confident0 Ų056 Ų560%031%0.309CS..EExtended strand (participates in β ladder)trans-99.1125.4173.9-60.8177.9000109.5I389 L408 E412 V413 I426 L430 V439 I441 C456I389-L428 HydrophobicContact CD1-CD1 4.11Å; L408-L428 HydrophobicContact CD2-CD1 3.99Å; E412-L428 WeakPolarHBondContact O-CA 3.38Å; V413-L428 HydrophobicContact CB-CD2 4.39Å; V413-L428 HydrophobicContact CG1-CD2 4.16Å; V413-L428 HydrophobicContact CG2-CD2 3.92Å; I426-L428 HydrophobicContact CG2-CD2 3.79Å; I426-L428 HydrophobicContact CG2-CG 4.16Å; L428-L430 HydrophobicContact CB-CD2 4.39Å; L428-L430 HydrophobicContact CB-CG 4.49Å; L428-V439 HydrophobicContact CB-CB 4.35Å; L428-V439 PolarHBondContact N-O 3.37Å; L428-V439 PolarHBondContact O-N 3.2Å; L428-I441 HydrophobicContact CD1-CD1 3.52Å; L428-I441 HydrophobicContact CD1-CG1 4.26Å; L428-I441 HydrophobicContact CG-CD1 4.45Å; L428-C456 HydrophobicContact CD2-CB 4.09Å
429L85.8Confident80.4Confident22 Ų2254.1 Ų54.112%0.11530%0.299CS..EExtended strand (participates in β ladder)trans-102.298.7169.9-59.2175000108.2C411 E412 K427 M436 E438C411-L429 WeakPolarHBondContact CA-O 3.45Å; C411-L429 WeakPolarHBondContact CB-O 3.39Å; E412-L429 HydrophobicContact CB-CB 3.97Å; E412-L429 HydrophobicContact CB-CD1 4.04Å; E412-L429 HydrophobicContact CB-CG 4.33Å; E412-L429 HydrophobicContact CG-CD1 4.43Å; E412-L429 PolarHBondContact N-O 2.88Å; E412-L429 VanDerWaalsContact N-O 3.15Å; E412-L429 PolarHBondContact O-N 3.4Å; K427-L429 HydrophobicContact CD-CD2 4.5Å; L429-M436 HydrophobicContact CB-CE 4.06Å; L429-E438 HydrophobicContact CD2-CB 4.2Å; L429-E438 HydrophobicContact CD2-CG 3.61Å
430L85.6Confident81.1Confident10 Ų1055.5 Ų55.55%0.05230%0.303CS..EExtended strand (participates in β ladder)trans-88.2126.7-176.9-58.3173.7000110.2M406 L408 C411 L428 V432 N437 V439M406-L430 HydrophobicContact CB-CD1 3.87Å; M406-L430 HydrophobicContact CG-CD1 3.78Å; M406-L430 HydrophobicContact SD-CD1 3.66Å; L408-L430 HydrophobicContact CD2-CD2 3.55Å; C411-L430 HydrophobicContact CB-CD2 3.97Å; L428-L430 HydrophobicContact CB-CD2 4.39Å; L428-L430 HydrophobicContact CB-CG 4.49Å; L430-V432 PolarHBondContact O-N 2.88Å; L430-N437 HydrophobicContact CB-CB 4.32Å; L430-N437 PolarHBondContact N-O 3.25Å; L430-N437 PolarHBondContact O-N 3.47Å; L430-V439 HydrophobicContact CD1-CB 4.45Å; L430-V439 HydrophobicContact CD1-CG2 3.65Å; L430-V439 HydrophobicContact CG-CG2 4.34Å
431P71.3Confident82.1Confident55 Ų5551 Ų5136%0.35728%0.275SS..EExtended strand (participates in β ladder)trans-70.5126.7177.228.3-32.4000110.8M436P431-M436 HydrophobicContact CB-SD 4.29Å
432V78Confident83Confident76 Ų7647.5 Ų47.546%0.46126%0.256SS..EExtended strand (participates in β ladder)trans-128.7160.5171.8-65.90000109.5L430 D434 G435 N437L430-V432 PolarHBondContact O-N 2.88Å; V432-D434 PolarHBondContact O-N 2.86Å; V432-D434 VanDerWaalsContact O-N 3.09Å; V432-G435 VanDerWaalsContact CG2-O 3.31Å; V432-G435 WeakPolarHBondContact CG2-O 3.45Å; V432-G435 PolarHBondContact N-O 3.35Å; V432-G435 PolarHBondContact O-N 3.4Å; V432-G435 VanDerWaalsContact O-N 3.1Å; V432-N437 HydrophobicContact CG1-CB 3.99Å; V432-N437 HydrophobicContact CG2-CB 4.23Å
433A66.9Low83.7Confident73 Ų7340 Ų4060%0.60322%0.224SC*.THydrogen-bonded Turntrans-54.4-33.5-173.800000114.1
434D62Low83.9Confident171 Ų17141 Ų4191%0.91423%0.232SC*.THydrogen-bonded Turntrans-10218.3-177.8-67.7-28.2000114.3V432V432-D434 PolarHBondContact O-N 2.86Å; V432-D434 VanDerWaalsContact O-N 3.09Å
435G69.2Low83.8Confident39 Ų3944.4 Ų44.440%0.40225%0.25SS..EExtended strand (participates in β ladder)trans135.8-140.4176.100000114.2V432V432-G435 VanDerWaalsContact CG2-O 3.31Å; V432-G435 WeakPolarHBondContact CG2-O 3.45Å; V432-G435 PolarHBondContact N-O 3.35Å; V432-G435 PolarHBondContact O-N 3.4Å; V432-G435 VanDerWaalsContact O-N 3.1Å
436M72.8Confident83.7Confident68 Ų6847.1 Ų47.134%0.33526%0.262SS..EExtended strand (participates in β ladder)trans-112.6127.2178.9-65.9-62.8-123.700110.4L429 P431L429-M436 HydrophobicContact CB-CE 4.06Å; P431-M436 HydrophobicContact CB-SD 4.29Å
437N81.4Confident83.6Confident53 Ų5350.4 Ų50.428%0.28328%0.282SS..EExtended strand (participates in β ladder)trans-89.4115169-174.316.4000108.7L430 V432L430-N437 HydrophobicContact CB-CB 4.32Å; L430-N437 PolarHBondContact N-O 3.25Å; L430-N437 PolarHBondContact O-N 3.47Å; V432-N437 HydrophobicContact CG1-CB 3.99Å; V432-N437 HydrophobicContact CG2-CB 4.23Å
438E87.2Confident83.8Confident64 Ų6449.3 Ų49.330%0.29928%0.278SS..EExtended strand (participates in β ladder)trans-87.1125.9179.4-51.2-160.4141.300110.7P369 K427 L429 Y440P369-E438 HydrophobicContact CG-CB 3.99Å; K427-E438 WeakPolarHBondContact CE-OE1 3.36Å; K427-E438 VanDerWaalsContact NZ-CD 3.28Å; K427-E438 IonicContact NZ-OE1 2.98Å; K427-E438 PolarHBondContact NZ-OE1 3.05Å; K427-E438 IonicContact NZ-OE2 2.75Å; K427-E438 PolarHBondContact NZ-OE2 3.27Å; L429-E438 HydrophobicContact CD2-CB 4.2Å; L429-E438 HydrophobicContact CD2-CG 3.61Å; E438-Y440 HydrophobicContact CB-CE2 4.17Å
439V89.3Confident84.1Confident0 Ų049.4 Ų49.40%028%0.278CS..EExtended strand (participates in β ladder)trans-129.3126.6179.7-174.40000109.1L366 R368 M406 L428 L430 I441L366-V439 HydrophobicContact CD1-CG1 3.21Å; R368-V439 HydrophobicContact CG-CG2 4.5Å; M406-V439 HydrophobicContact SD-CG1 4.13Å; M406-V439 HydrophobicContact SD-CG2 4.24Å; L428-V439 HydrophobicContact CB-CB 4.35Å; L428-V439 PolarHBondContact N-O 3.37Å; L428-V439 PolarHBondContact O-N 3.2Å; L430-V439 HydrophobicContact CD1-CB 4.45Å; L430-V439 HydrophobicContact CD1-CG2 3.65Å; L430-V439 HydrophobicContact CG-CG2 4.34Å; V439-I441 HydrophobicContact CG1-CG1 4.44Å
440Y89.7Confident84.3Confident43 Ų4348.3 Ų48.317%0.16927%0.273CS..EExtended strand (participates in β ladder)trans-107.4117.2178.6-66.5-103.5000108.6L366 F367 P369 K427 E438L366-Y440 CarbonylContact C-O 3.51Å; L366-Y440 WeakPolarHBondContact CA-O 3.38Å; F367-Y440 AromaticContact CD1-CD2 3.66Å; F367-Y440 HydrophobicContact CD1-CD2 3.66Å; F367-Y440 HydrophobicContact CD1-CE2 4.32Å; F367-Y440 AromaticContact CD1-CG 3.9Å; F367-Y440 HydrophobicContact CD1-CG 3.9Å; F367-Y440 HydrophobicContact CE1-CD2 4.15Å; F367-Y440 HydrophobicContact CE1-CE2 4.37Å; F367-Y440 PolarHBondContact N-O 3.3Å; F367-Y440 PolarHBondContact O-N 2.89Å; P369-Y440 HydrophobicContact CG-CE2 4.05Å; K427-Y440 HydrophobicContact CB-CD1 4.05Å; K427-Y440 HydrophobicContact CB-CE1 3.98Å; K427-Y440 HydrophobicContact CD-CE1 3.7Å; K427-Y440 HydrophobicContact CD-CE2 4.45Å; K427-Y440 WeakPolarHBondContact CE-OH 3.44Å; K427-Y440 HydrophobicContact CG-CD1 4.13Å; K427-Y440 HydrophobicContact CG-CE1 3.76Å; K427-Y440 HydrophobicContact CG-CE2 4.36Å; K427-Y440 PolarHBondContact NZ-OH 2.58Å; E438-Y440 HydrophobicContact CB-CE2 4.17Å
441I92.6Very high84.8Confident1 Ų152 Ų521%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-103.3132.1172.9-58.5-178.6000107.2L364 R365 L366 F382 I389 G425 I426 L428 V439L364-I441 HydrophobicContact CB-CG2 4Å; L364-I441 HydrophobicContact CD1-CG2 3.58Å; L364-I441 HydrophobicContact CG-CG2 4.28Å; R365-I441 CarbonylContact O-C 3.56Å; R365-I441 WeakPolarHBondContact O-CA 3.3Å; L366-I441 HydrophobicContact CD1-CG1 4.4Å; F382-I441 HydrophobicContact CD1-CD1 4.43Å; F382-I441 HydrophobicContact CE1-CD1 3.98Å; F382-I441 HydrophobicContact CE1-CG1 4.32Å; I389-I441 HydrophobicContact CD1-CD1 3.95Å; G425-I441 CarbonylContact C-O 3.55Å; G425-I441 WeakPolarHBondContact CA-O 3.44Å; I426-I441 HydrophobicContact CB-CB 4.47Å; I426-I441 PolarHBondContact N-O 3.11Å; I426-I441 PolarHBondContact O-N 3.16Å; L428-I441 HydrophobicContact CD1-CD1 3.52Å; L428-I441 HydrophobicContact CD1-CG1 4.26Å; L428-I441 HydrophobicContact CG-CD1 4.45Å; V439-I441 HydrophobicContact CG1-CG1 4.44Å
442R92.2Very high85.9Confident59 Ų5949.4 Ų49.422%0.22327%0.271CS..EExtended strand (participates in β ladder)trans-119.2123.4176.3-176.5173.2-173.8166.23.9109.5R365 Y377R365-R442 HydrophobicContact CB-CB 4.09Å; R365-R442 PolarHBondContact N-O 2.87Å; R365-R442 PolarHBondContact O-N 3.47Å; Y377-R442 HydrophobicContact CD1-CB 4.12Å; Y377-R442 HydrophobicContact CE1-CB 3.75Å
443C94.3Very high86.7Confident0 Ų046.9 Ų46.90%025%0.254CS..EExtended strand (participates in β ladder)trans-90.1162.2174.1-55.70000110.1L364 F424 Q448L364-C443 HydrophobicContact CD2-CB 4.34Å; F424-C443 HydrophobicContact CB-CB 4.11Å; F424-C443 PolarHBondContact O-N 3.27Å; C443-Q448 HydrophobicContact CB-CB 4.41Å; C443-Q448 HydrophobicContact CB-CG 4.3Å
444D89.5Confident87.9Confident78 Ų7843.4 Ų43.442%0.41723%0.225SC..SBendtrans-93.2-28.3-176.6-66.4-28.8000113.3R365R365-D444 IonicContact CZ-OD1 3.11Å; R365-D444 IonicContact NE-OD1 3.03Å; R365-D444 PolarHBondContact NE-OD1 3.44Å; R365-D444 IonicContact NH2-OD1 2.71Å; R365-D444 PolarHBondContact NH2-OD1 2.83Å
445N89.6Confident89.4Confident77 Ų7735.3 Ų35.341%0.41218%0.182SC..SBendtrans-145.8167.3-178.762.865.6000112.8T447 Q448 Y449N445-T447 VanDerWaalsContact C-N 3.35Å; N445-T447 PolarHBondContact O-N 2.85Å; N445-T447 PolarHBondContact OD1-N 3.49Å; N445-Q448 PolarHBondContact O-N 2.92Å; N445-Q448 WeakPolarHBondContact OD1-CB 3.49Å; N445-Q448 PolarHBondContact OD1-N 3.47Å; N445-Y449 WeakPolarHBondContact O-CB 3.31Å; N445-Y449 PolarHBondContact O-N 3.26Å
446E88.3Confident90.5Very high59 Ų5933.4 Ų33.428%0.27616%0.163SC..Hα-helixtrans-58.5-42.7-177.8-67.2176.3-168.800112.8V419 F424 Y449 A450 L481V419-E446 VanDerWaalsContact CG1-OE1 3.31Å; V419-E446 WeakPolarHBondContact CG1-OE1 3.42Å; F424-E446 HydrophobicContact CD1-CG 4.3Å; F424-E446 HydrophobicContact CE1-CB 4.4Å; F424-E446 HydrophobicContact CE1-CG 3.39Å; F424-E446 HydrophobicContact CE2-CG 4.26Å; F424-E446 HydrophobicContact CZ-CB 4.5Å; F424-E446 HydrophobicContact CZ-CG 3.37Å; E446-Y449 PolarHBondContact O-N 2.81Å; E446-A450 WeakPolarHBondContact O-CB 3.35Å; E446-A450 PolarHBondContact O-N 3.4Å; E446-L481 HydrophobicContact CB-CD1 4.03Å; E446-L481 HydrophobicContact CG-CD1 4.41Å
447T90.8Very high91.1Very high70 Ų7031.4 Ų31.443%0.42915%0.153SC..Hα-helixtrans-66.3-44.7-178.3-560000111.5N445 A450 K451N445-T447 VanDerWaalsContact C-N 3.35Å; N445-T447 PolarHBondContact O-N 2.85Å; N445-T447 PolarHBondContact OD1-N 3.49Å; T447-A450 PolarHBondContact O-N 3.26Å; T447-K451 WeakPolarHBondContact O-CG 3.46Å; T447-K451 PolarHBondContact O-N 2.97Å
448Q94.2Very high91.3Very high17 Ų1729.2 Ų29.28%0.07914%0.141CC..Hα-helixtrans-63-48175.4-170.2-173.154.300109.8T363 L364 C443 N445 A450 K451 W452T363-Q448 PolarHBondContact O-NE2 3.41Å; L364-Q448 HydrophobicContact CD2-CG 4.13Å; C443-Q448 HydrophobicContact CB-CB 4.41Å; C443-Q448 HydrophobicContact CB-CG 4.3Å; N445-Q448 PolarHBondContact O-N 2.92Å; N445-Q448 WeakPolarHBondContact OD1-CB 3.49Å; N445-Q448 PolarHBondContact OD1-N 3.47Å; Q448-A450 PolarHBondContact O-N 3.4Å; Q448-K451 PolarHBondContact O-N 3.12Å; Q448-W452 PolarHBondContact O-N 3.4Å
449Y94.6Very high91.4Very high2 Ų226.2 Ų26.21%0.00813%0.127CC..Hα-helixtrans-59-43.1177.3169.7-93.5000113.1P415 V417 F424 G425 I426 N445 E446 K451 W452 K453 I477 L481P415-Y449 WeakPolarHBondContact CB-OH 3.44Å; V417-Y449 HydrophobicContact CG2-CD1 4.33Å; V417-Y449 HydrophobicContact CG2-CD2 4.1Å; V417-Y449 HydrophobicContact CG2-CE1 3.64Å; V417-Y449 HydrophobicContact CG2-CE2 3.38Å; V417-Y449 WeakPolarHBondContact CG2-OH 3.22Å; F424-Y449 HydrophobicContact CB-CD2 4.03Å; F424-Y449 HydrophobicContact CB-CG 3.98Å; F424-Y449 HydrophobicContact CD1-CG 4.49Å; G425-Y449 WeakPolarHBondContact O-CE2 3.48Å; I426-Y449 HydrophobicContact CD1-CD2 4.09Å; I426-Y449 HydrophobicContact CD1-CE2 4.24Å; I426-Y449 HydrophobicContact CG1-CD2 3.67Å; I426-Y449 HydrophobicContact CG1-CE2 3.46Å; I426-Y449 VanDerWaalsContact CG1-CE2 3.46Å; N445-Y449 WeakPolarHBondContact O-CB 3.31Å; N445-Y449 PolarHBondContact O-N 3.26Å; E446-Y449 PolarHBondContact O-N 2.81Å; Y449-K451 PolarHBondContact O-N 2.99Å; Y449-W452 PolarHBondContact O-N 2.7Å; Y449-K453 HydrophobicContact CE1-CB 4.35Å; Y449-K453 HydrophobicContact CE1-CD 3.9Å; Y449-K453 HydrophobicContact CE2-CB 4.25Å; Y449-K453 HydrophobicContact CE2-CD 4.41Å; Y449-K453 HydrophobicContact CE2-CG 4.39Å; Y449-K453 WeakPolarHBondContact O-CB 3.44Å; Y449-K453 PolarHBondContact O-N 2.88Å; Y449-K453 VanDerWaalsContact OH-CD 3.24Å; Y449-K453 WeakPolarHBondContact OH-CD 3.27Å; Y449-K453 WeakPolarHBondContact OH-CE 3.31Å; Y449-K453 PolarHBondContact OH-NZ 3.47Å; Y449-I477 HydrophobicContact CD1-CG2 4.31Å; Y449-I477 HydrophobicContact CE1-CG2 3.92Å; Y449-L481 HydrophobicContact CD1-CD1 3.51Å; Y449-L481 HydrophobicContact CD1-CD2 4.09Å; Y449-L481 HydrophobicContact CD1-CG 4.33Å; Y449-L481 HydrophobicContact CE1-CD1 3.93Å; Y449-L481 HydrophobicContact CE1-CD2 3.89Å; Y449-L481 HydrophobicContact CE1-CG 4.31Å
450A91.4Very high91.2Very high0 Ų027.3 Ų27.30%014%0.135CC..Hα-helixtrans-61.9-44179.500000112.3E446 T447 Q448 A454 V474 I477 Q478 L481E446-A450 WeakPolarHBondContact O-CB 3.35Å; E446-A450 PolarHBondContact O-N 3.4Å; T447-A450 PolarHBondContact O-N 3.26Å; Q448-A450 PolarHBondContact O-N 3.4Å; A450-A454 VanDerWaalsContact O-CB 3.24Å; A450-A454 WeakPolarHBondContact O-CB 3.38Å; A450-A454 PolarHBondContact O-N 2.75Å; A450-V474 HydrophobicContact CB-CG1 4.3Å; A450-I477 HydrophobicContact CB-CB 4.18Å; A450-I477 HydrophobicContact CB-CG2 3.83Å; A450-Q478 HydrophobicContact CB-CG 3.49Å; A450-Q478 VanDerWaalsContact CB-CG 3.49Å; A450-L481 HydrophobicContact CB-CD1 4.41Å
451K94.8Very high91Very high87 Ų8731.4 Ų31.438%0.37815%0.154SC..Hα-helixtrans-60.8-53.3175.3-70.3177.9-179.4-176.70111.7L360 T447 Q448 Y449 K453 A454 A455 V474L360-K451 HydrophobicContact CD1-CB 4.41Å; L360-K451 HydrophobicContact CD1-CD 4.35Å; L360-K451 HydrophobicContact CD2-CB 4.2Å; T447-K451 WeakPolarHBondContact O-CG 3.46Å; T447-K451 PolarHBondContact O-N 2.97Å; Q448-K451 PolarHBondContact O-N 3.12Å; Y449-K451 PolarHBondContact O-N 2.99Å; K451-K453 PolarHBondContact O-N 2.75Å; K451-A454 PolarHBondContact O-N 3.42Å; K451-A455 WeakPolarHBondContact O-CB 3.5Å; K451-A455 PolarHBondContact O-N 2.89Å; K451-V474 HydrophobicContact CG-CG1 4.29Å
452W96Very high90.3Very high0 Ų032.7 Ų32.70%017%0.167CC..Hα-helixtrans-66-39.3-177.6-80.185.9000112.6L360 D362 L364 F382 F384 I389 I426 Q448 Y449 A455 C456L360-W452 HydrophobicContact CD2-CD2 3.71Å; L360-W452 HydrophobicContact CD2-CE3 4.37Å; L360-W452 HydrophobicContact CD2-CG 3.8Å; L360-W452 HydrophobicContact CD2-CZ2 4.08Å; L360-W452 HydrophobicContact CG-CD2 4.45Å; L360-W452 HydrophobicContact CG-CZ2 3.92Å; D362-W452 HydrophobicContact CB-CZ2 3.84Å; D362-W452 PolarHBondContact OD2-NE1 2.82Å; L364-W452 HydrophobicContact CD1-CD2 3.49Å; L364-W452 VanDerWaalsContact CD1-CD2 3.49Å; L364-W452 HydrophobicContact CD1-CE3 3.58Å; L364-W452 HydrophobicContact CD1-CG 4.19Å; L364-W452 HydrophobicContact CD1-CH2 3.88Å; L364-W452 HydrophobicContact CD1-CZ2 3.77Å; L364-W452 HydrophobicContact CD1-CZ3 3.77Å; F382-W452 HydrophobicContact CB-CH2 3.45Å; F382-W452 VanDerWaalsContact CB-CH2 3.45Å; F382-W452 HydrophobicContact CB-CZ2 4.06Å; F382-W452 HydrophobicContact CB-CZ3 4.02Å; F382-W452 HydrophobicContact CD1-CZ3 4.5Å; F384-W452 HydrophobicContact CB-CH2 3.9Å; F384-W452 HydrophobicContact CB-CZ3 3.82Å; F384-W452 HydrophobicContact CD2-CE3 4.39Å; F384-W452 HydrophobicContact CD2-CZ3 4.14Å; I389-W452 HydrophobicContact CD1-CE3 4.47Å; I389-W452 HydrophobicContact CD1-CZ3 4.2Å; I389-W452 HydrophobicContact CG1-CZ3 4.34Å; I426-W452 HydrophobicContact CD1-CB 3.84Å; Q448-W452 PolarHBondContact O-N 3.4Å; Y449-W452 PolarHBondContact O-N 2.7Å; W452-A455 PolarHBondContact O-N 2.73Å; W452-C456 WeakPolarHBondContact O-CB 3.28Å; W452-C456 PolarHBondContact O-N 3.41Å; W452-C456 PolarHBondContact O-SG 3Å
453K93.6Very high89.8Confident24 Ų2434.3 Ų34.310%0.10418%0.176CC..Hα-helixtrans-66.6-46.1176.9-167-154.1-165.1-176.60111.3V413 I426 Y449 K451 A455 C456 I457 I477V413-K453 HydrophobicContact CG1-CG 4.37Å; I426-K453 HydrophobicContact CD1-CB 4.03Å; I426-K453 HydrophobicContact CG1-CB 4.4Å; Y449-K453 HydrophobicContact CE1-CB 4.35Å; Y449-K453 HydrophobicContact CE1-CD 3.9Å; Y449-K453 HydrophobicContact CE2-CB 4.25Å; Y449-K453 HydrophobicContact CE2-CD 4.41Å; Y449-K453 HydrophobicContact CE2-CG 4.39Å; Y449-K453 WeakPolarHBondContact O-CB 3.44Å; Y449-K453 PolarHBondContact O-N 2.88Å; Y449-K453 VanDerWaalsContact OH-CD 3.24Å; Y449-K453 WeakPolarHBondContact OH-CD 3.27Å; Y449-K453 WeakPolarHBondContact OH-CE 3.31Å; Y449-K453 PolarHBondContact OH-NZ 3.47Å; K451-K453 PolarHBondContact O-N 2.75Å; K453-A455 VanDerWaalsContact C-N 3.32Å; K453-A455 PolarHBondContact O-N 3.49Å; K453-C456 PolarHBondContact O-N 3.2Å; K453-I457 HydrophobicContact CD-CD1 4.08Å; K453-I457 HydrophobicContact CG-CD1 4.01Å; K453-I457 VanDerWaalsContact O-CG1 3.3Å; K453-I457 WeakPolarHBondContact O-CG1 3.25Å; K453-I457 PolarHBondContact O-N 2.8Å; K453-I477 HydrophobicContact CB-CD1 4.17Å; K453-I477 HydrophobicContact CD-CD1 3.8Å; K453-I477 HydrophobicContact CD-CG1 4.12Å; K453-I477 HydrophobicContact CD-CG2 4.02Å; K453-I477 HydrophobicContact CG-CD1 4.27Å
454A91.6Very high89.3Confident0 Ų036 Ų360%019%0.186CC..Hα-helixtrans-58.2-45.3176.300000111.5A450 K451 C456 I457 L458 Y470 E473 V474 I477A450-A454 VanDerWaalsContact O-CB 3.24Å; A450-A454 WeakPolarHBondContact O-CB 3.38Å; A450-A454 PolarHBondContact O-N 2.75Å; K451-A454 PolarHBondContact O-N 3.42Å; A454-C456 PolarHBondContact O-N 3.15Å; A454-I457 PolarHBondContact O-N 3.11Å; A454-L458 PolarHBondContact O-N 2.98Å; A454-Y470 HydrophobicContact CB-CD2 3.95Å; A454-Y470 HydrophobicContact CB-CE2 3.78Å; A454-E473 HydrophobicContact CB-CB 4.06Å; A454-E473 HydrophobicContact CB-CG 3.86Å; A454-V474 HydrophobicContact CB-CB 4.42Å; A454-V474 HydrophobicContact CB-CG2 3.46Å; A454-V474 VanDerWaalsContact CB-CG2 3.46Å; A454-I477 HydrophobicContact CB-CD1 3.81Å
455A93.5Very high89.2Confident0 Ų033 Ų330%017%0.17CC..Hα-helixtrans-60.5-46.2177.600000111.4F384 K451 W452 K453 I457 L458 A459 M465 Y470F384-A455 HydrophobicContact CD1-CB 4.36Å; F384-A455 HydrophobicContact CD2-CB 4.05Å; F384-A455 HydrophobicContact CE1-CB 4.06Å; F384-A455 HydrophobicContact CE2-CB 3.71Å; F384-A455 HydrophobicContact CG-CB 4.38Å; F384-A455 HydrophobicContact CZ-CB 3.72Å; F384-A455 WeakPolarHBondContact CZ-O 3.37Å; K451-A455 WeakPolarHBondContact O-CB 3.5Å; K451-A455 PolarHBondContact O-N 2.89Å; W452-A455 PolarHBondContact O-N 2.73Å; K453-A455 VanDerWaalsContact C-N 3.32Å; K453-A455 PolarHBondContact O-N 3.49Å; A455-I457 PolarHBondContact O-N 2.78Å; A455-L458 PolarHBondContact O-N 2.91Å; A455-A459 WeakPolarHBondContact O-CB 3.41Å; A455-A459 PolarHBondContact O-N 3.14Å; A455-M465 HydrophobicContact CB-CG 3.97Å; A455-M465 HydrophobicContact CB-SD 3.66Å; A455-Y470 HydrophobicContact CB-CE2 4Å
456C92.3Very high88.6Confident0 Ų032.7 Ų32.70%018%0.178CC..Hα-helixtrans-62.6-42.1176.3-660000112.3L408 V413 L428 W452 K453 A454 A459 S460L408-C456 HydrophobicContact CD1-CB 4.35Å; V413-C456 HydrophobicContact CB-CB 4.44Å; V413-C456 HydrophobicContact CG1-CB 3.79Å; V413-C456 HydrophobicContact CG2-CB 3.73Å; L428-C456 HydrophobicContact CD2-CB 4.09Å; W452-C456 WeakPolarHBondContact O-CB 3.28Å; W452-C456 PolarHBondContact O-N 3.41Å; W452-C456 PolarHBondContact O-SG 3Å; K453-C456 PolarHBondContact O-N 3.2Å; A454-C456 PolarHBondContact O-N 3.15Å; C456-A459 PolarHBondContact O-N 2.66Å; C456-S460 WeakPolarHBondContact O-CB 3.2Å; C456-S460 PolarHBondContact O-N 3.26Å
457I86.2Confident87.9Confident25 Ų2536 Ų3613%0.12819%0.189CC..Hα-helixtrans-61.4-45.2177.9-72.3167.5000110.5V413 K453 A454 A455 S460 K461 I477V413-I457 HydrophobicContact CB-CG1 4.29Å; V413-I457 HydrophobicContact CG1-CG1 4.2Å; K453-I457 HydrophobicContact CD-CD1 4.08Å; K453-I457 HydrophobicContact CG-CD1 4.01Å; K453-I457 VanDerWaalsContact O-CG1 3.3Å; K453-I457 WeakPolarHBondContact O-CG1 3.25Å; K453-I457 PolarHBondContact O-N 2.8Å; A454-I457 PolarHBondContact O-N 3.11Å; A455-I457 PolarHBondContact O-N 2.78Å; I457-S460 PolarHBondContact O-N 3.31Å; I457-S460 PolarHBondContact O-OG 2.97Å; I457-K461 PolarHBondContact O-N 2.79Å; I457-I477 HydrophobicContact CD1-CD1 4.18Å
458L85.4Confident87Confident8 Ų837.8 Ų37.84%0.04220%0.204CC..Hα-helixtrans-66.4-46.3177.8-71.6-175.9000112.1A454 A455 S460 K461 G462 K463 Y470A454-L458 PolarHBondContact O-N 2.98Å; A455-L458 PolarHBondContact O-N 2.91Å; L458-S460 VanDerWaalsContact C-N 3.26Å; L458-S460 PolarHBondContact O-N 3.43Å; L458-K461 CarbonylContact O-C 3.53Å; L458-K461 WeakPolarHBondContact O-CA 3.42Å; L458-K461 WeakPolarHBondContact O-CB 3.44Å; L458-K461 PolarHBondContact O-N 3.19Å; L458-G462 PolarHBondContact O-N 2.9Å; L458-K463 CarbonylContact C-O 3.59Å; L458-K463 HydrophobicContact CB-CB 4.19Å; L458-K463 HydrophobicContact CD2-CB 4.36Å; L458-K463 HydrophobicContact CD2-CD 4.44Å; L458-K463 PolarHBondContact O-N 2.95Å; L458-Y470 HydrophobicContact CD1-CD2 4Å; L458-Y470 HydrophobicContact CD1-CG 4.24Å
459A89.1Confident85.9Confident0 Ų038.9 Ų38.90%021%0.214CC..Hα-helixtrans-65.1-31.1179.400000112.7F384 T387 L408 R409 A455 C456 K461 G462 K463F384-A459 HydrophobicContact CE1-CB 4.42Å; F384-A459 HydrophobicContact CE2-CB 4.46Å; F384-A459 HydrophobicContact CZ-CB 3.61Å; T387-A459 HydrophobicContact CG2-CB 4.09Å; L408-A459 HydrophobicContact CB-CB 3.85Å; L408-A459 HydrophobicContact CD1-CB 4.05Å; R409-A459 WeakPolarHBondContact CA-O 3.43Å; A455-A459 WeakPolarHBondContact O-CB 3.41Å; A455-A459 PolarHBondContact O-N 3.14Å; C456-A459 PolarHBondContact O-N 2.66Å; A459-K461 PolarHBondContact O-N 3.45Å; A459-G462 WeakPolarHBondContact O-CA 3.23Å; A459-G462 PolarHBondContact O-N 3Å; A459-K463 VanDerWaalsContact CA-O 3.31Å; A459-K463 WeakPolarHBondContact CA-O 3.36Å; A459-K463 PolarHBondContact N-O 3.45Å
460S86.6Confident85.4Confident24 Ų2440.4 Ų40.417%0.16822%0.22CC..Hα-helixtrans-58.3-33.9171.178.40000113L408 G410 C411 C456 I457 L458 G462L408-S460 WeakPolarHBondContact O-CA 3.46Å; G410-S460 WeakPolarHBondContact CA-O 3.31Å; G410-S460 PolarHBondContact N-O 3.14Å; C411-S460 VanDerWaalsContact O-CB 3.25Å; C411-S460 WeakPolarHBondContact O-CB 3.43Å; C456-S460 WeakPolarHBondContact O-CB 3.2Å; C456-S460 PolarHBondContact O-N 3.26Å; I457-S460 PolarHBondContact O-N 3.31Å; I457-S460 PolarHBondContact O-OG 2.97Å; L458-S460 VanDerWaalsContact C-N 3.26Å; L458-S460 PolarHBondContact O-N 3.43Å; S460-G462 VanDerWaalsContact C-N 3.3Å
461K84.1Confident84.8Confident128 Ų12848.1 Ų48.156%0.55725%0.253SS*.THydrogen-bonded Turntrans-87.74175.8-60.4174.3-176.4176.40112.8I457 L458 A459 K463I457-K461 PolarHBondContact O-N 2.79Å; L458-K461 CarbonylContact O-C 3.53Å; L458-K461 WeakPolarHBondContact O-CA 3.42Å; L458-K461 WeakPolarHBondContact O-CB 3.44Å; L458-K461 PolarHBondContact O-N 3.19Å; A459-K461 PolarHBondContact O-N 3.45Å; K461-K463 VanDerWaalsContact C-N 3.32Å
462G79.2Confident83.9Confident28 Ų2847.7 Ų47.729%0.28926%0.258SS..THydrogen-bonded Turntrans7514.5-176.400000115L458 A459 S460L458-G462 PolarHBondContact O-N 2.9Å; A459-G462 WeakPolarHBondContact O-CA 3.23Å; A459-G462 PolarHBondContact O-N 3Å; S460-G462 VanDerWaalsContact C-N 3.3Å
463K80.4Confident83.2Confident93 Ų9350.2 Ų50.240%0.40427%0.27SS..  trans-98.4148.7177.3-60.3-174.9179.3-172.40110.5L458 A459 K461 Y467L458-K463 CarbonylContact C-O 3.59Å; L458-K463 HydrophobicContact CB-CB 4.19Å; L458-K463 HydrophobicContact CD2-CB 4.36Å; L458-K463 HydrophobicContact CD2-CD 4.44Å; L458-K463 PolarHBondContact O-N 2.95Å; A459-K463 VanDerWaalsContact CA-O 3.31Å; A459-K463 WeakPolarHBondContact CA-O 3.36Å; A459-K463 PolarHBondContact N-O 3.45Å; K461-K463 VanDerWaalsContact C-N 3.32Å; K463-Y467 HydrophobicContact CB-CD2 4.21Å; K463-Y467 HydrophobicContact CB-CE2 4.39Å
464T84.6Confident82.7Confident35 Ų3549.9 Ų49.922%0.21527%0.27CS..  trans-97.8171.3179.969.60000111.9T387 A466 Y467T387-T464 HydrophobicContact CG2-CG2 4.35Å; T464-A466 PolarHBondContact O-N 3.23Å; T464-A466 PolarHBondContact OG1-N 3.42Å; T464-Y467 WeakPolarHBondContact O-CD2 3.22Å; T464-Y467 PolarHBondContact O-N 2.89Å
465M87.2Confident82Confident17 Ų1756.6 Ų56.68%0.08430%0.299CS..THydrogen-bonded Turntrans-69.6-10.2174.6-64.8-176.2-61.700113.8P358 L360 F384 A455 Y467 Y470P358-M465 HydrophobicContact CG-CB 4.36Å; P358-M465 VanDerWaalsContact O-CE 3.23Å; P358-M465 WeakPolarHBondContact O-CE 3.17Å; L360-M465 HydrophobicContact CB-CE 3.85Å; L360-M465 HydrophobicContact CB-SD 3.94Å; L360-M465 HydrophobicContact CD2-SD 4.46Å; F384-M465 HydrophobicContact CD1-CE 3.61Å; F384-M465 HydrophobicContact CD1-SD 4Å; F384-M465 HydrophobicContact CE1-CE 4.23Å; F384-M465 HydrophobicContact CE1-CG 4.27Å; F384-M465 HydrophobicContact CE1-SD 4.29Å; F384-M465 HydrophobicContact CG-CE 4.42Å; A455-M465 HydrophobicContact CB-CG 3.97Å; A455-M465 HydrophobicContact CB-SD 3.66Å; M465-Y467 PolarHBondContact O-N 3.24Å; M465-Y470 HydrophobicContact CB-CD1 4.09Å; M465-Y470 HydrophobicContact CB-CD2 4.43Å; M465-Y470 HydrophobicContact CB-CE1 4.3Å; M465-Y470 HydrophobicContact CB-CG 4.16Å; M465-Y470 HydrophobicContact CG-CD1 4.44Å; M465-Y470 HydrophobicContact CG-CD2 4.06Å; M465-Y470 HydrophobicContact CG-CE1 4.37Å; M465-Y470 HydrophobicContact CG-CE2 3.98Å; M465-Y470 HydrophobicContact CG-CG 4.29Å; M465-Y470 HydrophobicContact SD-CE1 4.35Å; M465-Y470 HydrophobicContact SD-CE2 4.14Å
466A77.7Confident81.1Confident70 Ų7059.8 Ų59.858%0.57932%0.316SS*.THydrogen-bonded Turntrans-72.3-17.6176.300000112.9P358 T464P358-A466 HydrophobicContact CG-CB 3.88Å; T464-A466 PolarHBondContact O-N 3.23Å; T464-A466 PolarHBondContact OG1-N 3.42Å
467Y72.1Confident80.5Confident128 Ų12860.2 Ų60.250%0.50232%0.318SS..SBendtrans-73140.9178.1-74.7-98.4000111.5K463 T464 M465 S469 Y470K463-Y467 HydrophobicContact CB-CD2 4.21Å; K463-Y467 HydrophobicContact CB-CE2 4.39Å; T464-Y467 WeakPolarHBondContact O-CD2 3.22Å; T464-Y467 PolarHBondContact O-N 2.89Å; M465-Y467 PolarHBondContact O-N 3.24Å; Y467-S469 PolarHBondContact O-N 3.19Å; Y467-Y470 WeakPolarHBondContact O-CB 3.35Å; Y467-Y470 PolarHBondContact O-N 3.18Å
468S72.3Confident80.4Confident108 Ų10861.6 Ų61.676%0.75532%0.324SS*.THydrogen-bonded Turntrans-53.8-31.1177.358.10000113.3Y470 K471S468-Y470 PolarHBondContact O-N 2.69Å; S468-Y470 VanDerWaalsContact O-N 3.14Å; S468-K471 PolarHBondContact O-N 3.43Å
469S72.4Confident79.8Confident39 Ų3963 Ų6327%0.27334%0.335SS..Hα-helixtrans-58.9-22.5175.955.50000114.5Y467 T472 E473Y467-S469 PolarHBondContact O-N 3.19Å; S469-T472 PolarHBondContact O-N 2.73Å; S469-E473 VanDerWaalsContact O-CB 3.31Å; S469-E473 WeakPolarHBondContact O-CB 3.46Å; S469-E473 PolarHBondContact O-N 3Å
470Y82.7Confident79.1Confident34 Ų3465.3 Ų65.313%0.13335%0.345CS..Hα-helixtrans-63.4-48.4179.8175.6-118.6000112A454 A455 L458 M465 Y467 S468 T472 E473 V474A454-Y470 HydrophobicContact CB-CD2 3.95Å; A454-Y470 HydrophobicContact CB-CE2 3.78Å; A455-Y470 HydrophobicContact CB-CE2 4Å; L458-Y470 HydrophobicContact CD1-CD2 4Å; L458-Y470 HydrophobicContact CD1-CG 4.24Å; M465-Y470 HydrophobicContact CB-CD1 4.09Å; M465-Y470 HydrophobicContact CB-CD2 4.43Å; M465-Y470 HydrophobicContact CB-CE1 4.3Å; M465-Y470 HydrophobicContact CB-CG 4.16Å; M465-Y470 HydrophobicContact CG-CD1 4.44Å; M465-Y470 HydrophobicContact CG-CD2 4.06Å; M465-Y470 HydrophobicContact CG-CE1 4.37Å; M465-Y470 HydrophobicContact CG-CE2 3.98Å; M465-Y470 HydrophobicContact CG-CG 4.29Å; M465-Y470 HydrophobicContact SD-CE1 4.35Å; M465-Y470 HydrophobicContact SD-CE2 4.14Å; Y467-Y470 WeakPolarHBondContact O-CB 3.35Å; Y467-Y470 PolarHBondContact O-N 3.18Å; S468-Y470 PolarHBondContact O-N 2.69Å; S468-Y470 VanDerWaalsContact O-N 3.14Å; Y470-T472 VanDerWaalsContact C-N 3.31Å; Y470-T472 PolarHBondContact O-N 3.42Å; Y470-E473 PolarHBondContact O-N 3.44Å; Y470-V474 HydrophobicContact CD2-CG2 4.14Å; Y470-V474 HydrophobicContact CE1-CG2 4.39Å; Y470-V474 HydrophobicContact CE2-CG2 3.72Å; Y470-V474 WeakPolarHBondContact O-CG2 3.43Å; Y470-V474 PolarHBondContact O-N 3.01Å
471K79.9Confident78.5Confident162 Ų16264.1 Ų64.170%0.70434%0.337SS*.Hα-helixtrans-62.4-41179.8-67.2-178.8-179.2175.10111.2S468 K475S468-K471 PolarHBondContact O-N 3.43Å; K471-K475 WeakPolarHBondContact O-CG 3.41Å; K471-K475 PolarHBondContact O-N 2.93Å; K471-K475 VanDerWaalsContact O-N 3.12Å
472T75Confident77.9Confident79 Ų7963.3 Ų63.349%0.48534%0.335SS..Hα-helixtrans-64.2-44.6176.6-49.90000111.5S469 Y470 V474 K475 N476S469-T472 PolarHBondContact O-N 2.73Å; Y470-T472 VanDerWaalsContact C-N 3.31Å; Y470-T472 PolarHBondContact O-N 3.42Å; T472-V474 PolarHBondContact O-N 3.32Å; T472-K475 PolarHBondContact O-N 3.17Å; T472-N476 PolarHBondContact O-N 3.07Å; T472-N476 PolarHBondContact O-ND2 3.27Å; T472-N476 PolarHBondContact O-OD1 3.4Å
473E80.8Confident77.1Confident53 Ų5363.7 Ų63.725%0.24833%0.33CS..Hα-helixtrans-64.2-40.7179-168.165.9-168.300112.1A454 S469 Y470 N476 I477A454-E473 HydrophobicContact CB-CB 4.06Å; A454-E473 HydrophobicContact CB-CG 3.86Å; S469-E473 VanDerWaalsContact O-CB 3.31Å; S469-E473 WeakPolarHBondContact O-CB 3.46Å; S469-E473 PolarHBondContact O-N 3Å; Y470-E473 PolarHBondContact O-N 3.44Å; E473-N476 PolarHBondContact O-N 3.25Å; E473-I477 HydrophobicContact CG-CD1 3.99Å; E473-I477 WeakPolarHBondContact O-CD1 3.4Å; E473-I477 VanDerWaalsContact O-CG1 3.29Å; E473-I477 WeakPolarHBondContact O-CG1 3.42Å; E473-I477 PolarHBondContact O-N 3.37Å
474V84.1Confident76Confident16 Ų1662.2 Ų62.210%0.09732%0.323CS..Hα-helixtrans-59.6-47.7173.9173.50000110.9A450 K451 A454 Y470 T472 N476 I477 Q478A450-V474 HydrophobicContact CB-CG1 4.3Å; K451-V474 HydrophobicContact CG-CG1 4.29Å; A454-V474 HydrophobicContact CB-CB 4.42Å; A454-V474 HydrophobicContact CB-CG2 3.46Å; A454-V474 VanDerWaalsContact CB-CG2 3.46Å; Y470-V474 HydrophobicContact CD2-CG2 4.14Å; Y470-V474 HydrophobicContact CE1-CG2 4.39Å; Y470-V474 HydrophobicContact CE2-CG2 3.72Å; Y470-V474 WeakPolarHBondContact O-CG2 3.43Å; Y470-V474 PolarHBondContact O-N 3.01Å; T472-V474 PolarHBondContact O-N 3.32Å; V474-N476 PolarHBondContact O-N 3.4Å; V474-I477 PolarHBondContact O-N 3.48Å; V474-Q478 HydrophobicContact CG1-CG 4.41Å; V474-Q478 WeakPolarHBondContact O-CG 3.31Å; V474-Q478 PolarHBondContact O-N 3.09Å
475K76.9Confident74.6Confident142 Ų14262.8 Ų62.862%0.61733%0.329SS*.Hα-helixtrans-59.9-45.2176.8-73-178.1-179.8-178.50111.3K471 T472 I477 Q478 S479K471-K475 WeakPolarHBondContact O-CG 3.41Å; K471-K475 PolarHBondContact O-N 2.93Å; K471-K475 VanDerWaalsContact O-N 3.12Å; T472-K475 PolarHBondContact O-N 3.17Å; K475-I477 VanDerWaalsContact C-N 3.34Å; K475-I477 PolarHBondContact O-N 3.08Å; K475-Q478 PolarHBondContact O-N 3.18Å; K475-S479 PolarHBondContact O-N 2.91Å; K475-S479 PolarHBondContact O-OG 2.64Å; K475-S479 VanDerWaalsContact O-OG 3.14Å
476N74.9Confident72.6Confident67 Ų6766.4 Ų66.436%0.35835%0.348SS..Hα-helixtrans-57.5-45.7177.8-69.9-17.9000112T472 E473 V474 F480T472-N476 PolarHBondContact O-N 3.07Å; T472-N476 PolarHBondContact O-ND2 3.27Å; T472-N476 PolarHBondContact O-OD1 3.4Å; E473-N476 PolarHBondContact O-N 3.25Å; V474-N476 PolarHBondContact O-N 3.4Å; N476-F480 WeakPolarHBondContact O-CB 3.38Å; N476-F480 PolarHBondContact O-N 3.37Å
477I79Confident71Confident8 Ų866 Ų664%0.04134%0.344CS..Hα-helixtrans-68.5-40.2178.9-64.9158.7000111.1Y449 A450 K453 A454 I457 E473 V474 K475 F480 L481Y449-I477 HydrophobicContact CD1-CG2 4.31Å; Y449-I477 HydrophobicContact CE1-CG2 3.92Å; A450-I477 HydrophobicContact CB-CB 4.18Å; A450-I477 HydrophobicContact CB-CG2 3.83Å; K453-I477 HydrophobicContact CB-CD1 4.17Å; K453-I477 HydrophobicContact CD-CD1 3.8Å; K453-I477 HydrophobicContact CD-CG1 4.12Å; K453-I477 HydrophobicContact CD-CG2 4.02Å; K453-I477 HydrophobicContact CG-CD1 4.27Å; A454-I477 HydrophobicContact CB-CD1 3.81Å; I457-I477 HydrophobicContact CD1-CD1 4.18Å; E473-I477 HydrophobicContact CG-CD1 3.99Å; E473-I477 WeakPolarHBondContact O-CD1 3.4Å; E473-I477 VanDerWaalsContact O-CG1 3.29Å; E473-I477 WeakPolarHBondContact O-CG1 3.42Å; E473-I477 PolarHBondContact O-N 3.37Å; V474-I477 PolarHBondContact O-N 3.48Å; K475-I477 VanDerWaalsContact C-N 3.34Å; K475-I477 PolarHBondContact O-N 3.08Å; I477-F480 WeakPolarHBondContact O-CB 3.29Å; I477-F480 PolarHBondContact O-N 3.26Å; I477-L481 HydrophobicContact CG2-CD1 4.1Å; I477-L481 HydrophobicContact CG2-CG 4.42Å; I477-L481 VanDerWaalsContact O-CG 3.32Å; I477-L481 WeakPolarHBondContact O-CG 3.46Å; I477-L481 PolarHBondContact O-N 2.83Å
478Q83.5Confident69.6Low54 Ų5463 Ų6325%0.25234%0.341SS..Hα-helixtrans-61.5-46.8175.7-75176.5-33.400111.6A450 V474 K475 F480 L481 Q482A450-Q478 HydrophobicContact CB-CG 3.49Å; A450-Q478 VanDerWaalsContact CB-CG 3.49Å; V474-Q478 HydrophobicContact CG1-CG 4.41Å; V474-Q478 WeakPolarHBondContact O-CG 3.31Å; V474-Q478 PolarHBondContact O-N 3.09Å; K475-Q478 PolarHBondContact O-N 3.18Å; Q478-F480 VanDerWaalsContact C-N 3.27Å; Q478-F480 PolarHBondContact O-N 3.44Å; Q478-L481 PolarHBondContact O-N 3.45Å; Q478-Q482 WeakPolarHBondContact O-CG 3.05Å; Q478-Q482 PolarHBondContact O-N 2.89Å
479S73.4Confident68.1Low39 Ų3963.1 Ų63.127%0.27334%0.339SS..Hα-helixtrans-60.8-37175.2-58.50000112.1K475 M483K475-S479 PolarHBondContact O-N 2.91Å; K475-S479 PolarHBondContact O-OG 2.64Å; K475-S479 VanDerWaalsContact O-OG 3.14Å; S479-M483 PolarHBondContact O-N 3.02Å; S479-M483 VanDerWaalsContact O-N 3.08Å
480F73.8Confident66.2Low47 Ų4767.8 Ų67.821%0.20637%0.368CS..Hα-helixtrans-65.4-40.9175179.3-96.3000113N476 I477 Q478 M483 K484N476-F480 WeakPolarHBondContact O-CB 3.38Å; N476-F480 PolarHBondContact O-N 3.37Å; I477-F480 WeakPolarHBondContact O-CB 3.29Å; I477-F480 PolarHBondContact O-N 3.26Å; Q478-F480 VanDerWaalsContact C-N 3.27Å; Q478-F480 PolarHBondContact O-N 3.44Å; F480-M483 PolarHBondContact O-N 2.97Å; F480-K484 HydrophobicContact CE1-CD 3.79Å; F480-K484 HydrophobicContact CE1-CG 4.43Å; F480-K484 HydrophobicContact CZ-CD 4.05Å; F480-K484 PolarHBondContact O-N 2.96Å
481L74.8Confident64.5Low0 Ų069.7 Ų69.70%040%0.398CS..Hα-helixtrans-68.2-39.9176.9-67.7167.1000112.1V417 V419 E446 Y449 A450 I477 Q478 M483 K484 S485V417-L481 HydrophobicContact CG1-CD2 3.75Å; V419-L481 HydrophobicContact CG2-CD2 4.06Å; E446-L481 HydrophobicContact CB-CD1 4.03Å; E446-L481 HydrophobicContact CG-CD1 4.41Å; Y449-L481 HydrophobicContact CD1-CD1 3.51Å; Y449-L481 HydrophobicContact CD1-CD2 4.09Å; Y449-L481 HydrophobicContact CD1-CG 4.33Å; Y449-L481 HydrophobicContact CE1-CD1 3.93Å; Y449-L481 HydrophobicContact CE1-CD2 3.89Å; Y449-L481 HydrophobicContact CE1-CG 4.31Å; A450-L481 HydrophobicContact CB-CD1 4.41Å; I477-L481 HydrophobicContact CG2-CD1 4.1Å; I477-L481 HydrophobicContact CG2-CG 4.42Å; I477-L481 VanDerWaalsContact O-CG 3.32Å; I477-L481 WeakPolarHBondContact O-CG 3.46Å; I477-L481 PolarHBondContact O-N 2.83Å; Q478-L481 PolarHBondContact O-N 3.45Å; L481-M483 VanDerWaalsContact C-N 3.3Å; L481-M483 PolarHBondContact O-N 2.98Å; L481-K484 CarbonylContact O-C 3.56Å; L481-K484 WeakPolarHBondContact O-CA 3.43Å; L481-K484 PolarHBondContact O-N 3.07Å; L481-S485 PolarHBondContact O-N 2.81Å
482Q71.9Confident62.3Low110 Ų11071.1 Ų71.151%0.51441%0.407SS..Hα-helixtrans-60.9-39.5174.3-72.8172.8-6.400111.6Q478 K484 S485 L486Q478-Q482 WeakPolarHBondContact O-CG 3.05Å; Q478-Q482 PolarHBondContact O-N 2.89Å; Q482-K484 VanDerWaalsContact C-N 3.27Å; Q482-K484 PolarHBondContact O-N 3.43Å; Q482-S485 PolarHBondContact O-N 2.83Å; Q482-S485 PolarHBondContact O-OG 3.17Å; Q482-L486 WeakPolarHBondContact O-CD1 3.35Å; Q482-L486 WeakPolarHBondContact O-CG 3.4Å; Q482-L486 PolarHBondContact O-N 3.01Å
483M62.1Low60.4Low37 Ų3772.2 Ų72.218%0.18242%0.424CS..Hα-helixtrans-64-31172.7-79.3-170.4-81.900113.1S479 F480 L481 I532 R543S479-M483 PolarHBondContact O-N 3.02Å; S479-M483 VanDerWaalsContact O-N 3.08Å; F480-M483 PolarHBondContact O-N 2.97Å; L481-M483 VanDerWaalsContact C-N 3.3Å; L481-M483 PolarHBondContact O-N 2.98Å; M483-I532 HydrophobicContact SD-CG2 4.2Å; M483-R543 VanDerWaalsContact CE-CZ 3.47Å
484K57.8Low58.1Low62 Ų6273.6 Ų73.627%0.2744%0.444SS..Hα-helixtrans-84.2-23.9176.5-76.1-163.5168-166.50114.2V419 F480 L481 Q482V419-K484 HydrophobicContact CB-CB 4.39Å; V419-K484 HydrophobicContact CG2-CB 3.63Å; F480-K484 HydrophobicContact CE1-CD 3.79Å; F480-K484 HydrophobicContact CE1-CG 4.43Å; F480-K484 HydrophobicContact CZ-CD 4.05Å; F480-K484 PolarHBondContact O-N 2.96Å; L481-K484 CarbonylContact O-C 3.56Å; L481-K484 WeakPolarHBondContact O-CA 3.43Å; L481-K484 PolarHBondContact O-N 3.07Å; Q482-K484 VanDerWaalsContact C-N 3.27Å; Q482-K484 PolarHBondContact O-N 3.43Å
485S55.3Low55.8Low47 Ų4777.7 Ų77.733%0.32947%0.472SS..Hα-helixtrans-78.9-19.4-179.275.40000113.3L481 Q482 A487L481-S485 PolarHBondContact O-N 2.81Å; Q482-S485 PolarHBondContact O-N 2.83Å; Q482-S485 PolarHBondContact O-OG 3.17Å; S485-A487 VanDerWaalsContact C-N 3.25Å; S485-A487 PolarHBondContact O-N 3.25Å
486L44.8Very low54.2Low93 Ų9378.7 Ų78.749%0.48748%0.483SS..  trans-89.432.1-177.2-65.2167000113.5Q482 P488 N531Q482-L486 WeakPolarHBondContact O-CD1 3.35Å; Q482-L486 WeakPolarHBondContact O-CG 3.4Å; Q482-L486 PolarHBondContact O-N 3.01Å; L486-P488 WeakPolarHBondContact O-CD 3.33Å; L486-N531 VanDerWaalsContact CB-CG 3.46Å; L486-N531 WeakPolarHBondContact CB-ND2 3.38Å; L486-N531 WeakPolarHBondContact CB-OD1 3.41Å; L486-N531 PolarHBondContact O-ND2 3.42Å
487A43.5Very low52.4Low61 Ų6182.8 Ų82.850%0.50450%0.504SS..PPolyproline II helixtrans-80.9120.3161.500000108.7S485S485-A487 VanDerWaalsContact C-N 3.25Å; S485-A487 PolarHBondContact O-N 3.25Å
488P42.9Very low50.5Low65 Ų6589.8 Ų89.842%0.42254%0.542SS..PPolyproline II helixtrans-71.8155.3-175.5-19.733.3000114.7L486 E527L486-P488 WeakPolarHBondContact O-CD 3.33Å; P488-E527 WeakPolarHBondContact CB-OE1 3.3Å; P488-E527 WeakPolarHBondContact CD-OE1 3.28Å; P488-E527 HydrophobicContact CG-CG 3.78Å; P488-E527 WeakPolarHBondContact CG-OE1 3.31Å
489P39.8Very low48.5Very low111 Ų11192.2 Ų92.272%0.72157%0.571SS**PPolyproline II helixtrans-65.4152153.5-521.3000110.2G491P489-G491 PolarHBondContact O-N 3.48Å
490P34.4Very low47.2Very low137 Ų13796.4 Ų96.489%0.8959%0.588SS**SBendtrans-65.2124-178.325.9-32.1000111.1
491G45.1Very low46.3Very low73 Ų73103.2 Ų103.275%0.75362%0.621SS**  trans127.243.1157.300000118.8P489P489-G491 PolarHBondContact O-N 3.48Å
492Q35.1Very low45.9Very low193 Ų193104.5 Ų104.590%0.90263%0.627SS**  trans-123.5128159.4-72.1-175.20.900110.8
493A35.6Very low46.2Very low102 Ų102103 Ų10384%0.84362%0.623SS**PPolyproline II helixtrans-69.2137.8-17800000110.7
494A32.2Very low47.1Very low81 Ų81101.3 Ų101.367%0.66961%0.614SS**PPolyproline II helixtrans-63.7144.1177.100000111.5
495P34.6Very low48.3Very low103 Ų103100.9 Ų100.967%0.66961%0.613SS**PPolyproline II helixtrans-70.2136159.2-3.120.2000109L497P495-L497 PolarHBondContact O-N 2.86Å
496D43.7Very low49.8Very low162 Ų16299.3 Ų99.387%0.86660%0.602SS**PPolyproline II helixtrans-69.4119.3176-158.99.2000109.5
497L38Very low51.9Low153 Ų15395.7 Ų95.780%0.80158%0.582SS**  trans-140.5102.7174.6-74.9174.9000109.4P495P495-L497 PolarHBondContact O-N 2.86Å
498D39.4Very low54.2Low155 Ų15592.8 Ų92.883%0.82956%0.558SS**  trans30.9115.2161.3-70.5-40.9000119.5M500D498-M500 PolarHBondContact O-N 2.95Å
499A41.3Very low56.5Low105 Ų10589.8 Ų89.887%0.86854%0.539SS*.  trans-64.297.4-176.100000113.3
500M45.6Very low58.8Low127 Ų12785 Ų8563%0.62651%0.508SS*.  trans-94.7119.5133.8-163.5165.7178.900106.2M315 D498 M502M315-M500 HydrophobicContact CE-CE 4.37Å; M315-M500 HydrophobicContact SD-CE 3.88Å; D498-M500 PolarHBondContact O-N 2.95Å; M500-M502 PolarHBondContact O-N 2.94Å
501E54.2Low61.3Low191 Ų19183.3 Ų83.389%0.89348%0.484SS*.  trans-60.797.5175.7-77.7-169.3150.400109.2N503E501-N503 PolarHBondContact O-N 3.14Å
502M67.4Low63.1Low26 Ų2680.2 Ų80.213%0.12845%0.449CS..  trans-68.3106.6-179.3-176.7178.270.400109.7Y308 M500 A504 F507 T522 I525 L526Y308-M502 HydrophobicContact CD1-SD 4.25Å; Y308-M502 HydrophobicContact CD2-CG 3.89Å; Y308-M502 HydrophobicContact CD2-SD 3.52Å; Y308-M502 VanDerWaalsContact CD2-SD 3.52Å; Y308-M502 HydrophobicContact CE1-SD 4.31Å; Y308-M502 HydrophobicContact CE2-CB 4.29Å; Y308-M502 HydrophobicContact CE2-CG 3.78Å; Y308-M502 HydrophobicContact CE2-SD 3.59Å; Y308-M502 VanDerWaalsContact CE2-SD 3.59Å; Y308-M502 HydrophobicContact CG-SD 3.87Å; M500-M502 PolarHBondContact O-N 2.94Å; M502-A504 VanDerWaalsContact C-N 3.28Å; M502-A504 HydrophobicContact CE-CB 4.3Å; M502-A504 PolarHBondContact O-N 3.36Å; M502-F507 HydrophobicContact CG-CE2 4.14Å; M502-T522 HydrophobicContact CE-CG2 3.33Å; M502-T522 WeakPolarHBondContact CE-O 3.47Å; M502-I525 HydrophobicContact CE-CB 4.01Å; M502-I525 HydrophobicContact CE-CG2 4.01Å; M502-I525 HydrophobicContact SD-CG2 3.9Å; M502-L526 HydrophobicContact CE-CD1 4.23Å; M502-L526 HydrophobicContact CE-CD2 4Å; M502-L526 HydrophobicContact CE-CG 3.68Å; M502-L526 HydrophobicContact SD-CD2 3.98Å; M502-L526 HydrophobicContact SD-CG 4.33Å
503N76.4Confident65.5Low80 Ų8072.1 Ų72.143%0.42841%0.414SS..  trans-75.982169.9-169.5-14.5000110.2E501 E505 C506 F507E501-N503 PolarHBondContact O-N 3.14Å; N503-E505 PolarHBondContact O-N 3.02Å; N503-E505 VanDerWaalsContact O-N 3.11Å; N503-C506 PolarHBondContact ND2-SG 3.12Å; N503-C506 VanDerWaalsContact ND2-SG 3.43Å; N503-C506 WeakPolarHBondContact O-CB 3.25Å; N503-C506 PolarHBondContact O-N 3.45Å; N503-C506 VanDerWaalsContact O-N 3.1Å; N503-F507 WeakPolarHBondContact O-CD2 3.23Å; N503-F507 WeakPolarHBondContact O-CE2 3.1Å
504A81.1Confident67.8Low0 Ų075.7 Ų75.70%041%0.411CS..G310 helixtrans-55.1-29-175.100000114.2M502 C506 F507 L521 T522 I525M502-A504 VanDerWaalsContact C-N 3.28Å; M502-A504 HydrophobicContact CE-CB 4.3Å; M502-A504 PolarHBondContact O-N 3.36Å; A504-C506 PolarHBondContact O-N 2.84Å; A504-F507 PolarHBondContact O-N 2.82Å; A504-L521 HydrophobicContact CB-CB 4.36Å; A504-L521 HydrophobicContact CB-CD2 3.95Å; A504-L521 HydrophobicContact CB-CG 3.96Å; A504-T522 WeakPolarHBondContact CB-OG1 3.27Å; A504-I525 HydrophobicContact CB-CD1 4.01Å
505E84.7Confident70.3Confident54 Ų5477.2 Ų77.225%0.25240%0.402SS..G310 helixtrans-70.5-17.7-178.2-66.3173.1-164.600113.2P216 N503 F507 T518 L521P216-E505 HydrophobicContact CG-CB 3.64Å; N503-E505 PolarHBondContact O-N 3.02Å; N503-E505 VanDerWaalsContact O-N 3.11Å; E505-F507 VanDerWaalsContact C-N 3.27Å; E505-F507 PolarHBondContact O-N 2.78Å; E505-T518 HydrophobicContact CG-CG2 4.3Å; E505-T518 WeakPolarHBondContact OE1-CG2 3.44Å; E505-T518 PolarHBondContact OE1-OG1 3.1Å; E505-L521 HydrophobicContact CG-CD2 4.48Å
506C86.3Confident72.6Confident13 Ų1373.7 Ų73.79%0.08838%0.378CS..G310 helixtrans-77.1-12.8176.7-59.90000113.1N213 M289 N503 A504N213-C506 HydrophobicContact CB-CB 3.88Å; N213-C506 WeakPolarHBondContact CB-O 3.47Å; N213-C506 VanDerWaalsContact CG-O 3.32Å; N213-C506 PolarHBondContact ND2-O 3.26Å; M289-C506 VanDerWaalsContact CE-O 3.23Å; M289-C506 WeakPolarHBondContact CE-O 3.41Å; N503-C506 PolarHBondContact ND2-SG 3.12Å; N503-C506 VanDerWaalsContact ND2-SG 3.43Å; N503-C506 WeakPolarHBondContact O-CB 3.25Å; N503-C506 PolarHBondContact O-N 3.45Å; N503-C506 VanDerWaalsContact O-N 3.1Å; A504-C506 PolarHBondContact O-N 2.84Å
507F89Confident74.6Confident18 Ų1874.2 Ų74.28%0.07937%0.372CS..G310 helixtrans-103.90.5-172.9-60.6-80.7000113.6N213 A304 Q307 Y308 C311 M502 N503 A504 E505 I525N213-F507 WeakPolarHBondContact ND2-CD1 3.44Å; N213-F507 WeakPolarHBondContact ND2-CE1 3.19Å; A304-F507 WeakPolarHBondContact CA-O 3.03Å; A304-F507 HydrophobicContact CB-CB 3.89Å; A304-F507 WeakPolarHBondContact CB-O 3.42Å; Q307-F507 HydrophobicContact CB-CD1 3.73Å; Q307-F507 HydrophobicContact CB-CE1 4.41Å; Q307-F507 PolarHBondContact NE2-O 2.98Å; Q307-F507 VanDerWaalsContact NE2-O 3.09Å; Y308-F507 VanDerWaalsContact CA-CE1 3.46Å; Y308-F507 HydrophobicContact CD2-CE1 4.41Å; Y308-F507 HydrophobicContact CD2-CE2 4.22Å; Y308-F507 AromaticContact CD2-CZ 3.92Å; Y308-F507 HydrophobicContact CD2-CZ 3.92Å; C311-F507 HydrophobicContact CB-CE1 4.29Å; M502-F507 HydrophobicContact CG-CE2 4.14Å; N503-F507 WeakPolarHBondContact O-CD2 3.23Å; N503-F507 WeakPolarHBondContact O-CE2 3.1Å; A504-F507 PolarHBondContact O-N 2.82Å; E505-F507 VanDerWaalsContact C-N 3.27Å; E505-F507 PolarHBondContact O-N 2.78Å; F507-I525 HydrophobicContact CB-CD1 4.4Å
508V91.3Very high76.8Confident0 Ų069.9 Ų69.90%035%0.352CS..SBendtrans-133.3159.3-176.7-62.70000111.8M289 M300 A304 Y512 L521M289-V508 VanDerWaalsContact CE-O 3.29Å; M289-V508 WeakPolarHBondContact CE-O 3.42Å; M300-V508 HydrophobicContact CG-CB 4.32Å; M300-V508 HydrophobicContact CG-CG1 4.1Å; M300-V508 HydrophobicContact SD-CB 4.12Å; M300-V508 HydrophobicContact SD-CG1 4.2Å; A304-V508 HydrophobicContact CB-CG1 3.71Å; V508-Y512 HydrophobicContact CB-CD1 3.99Å; V508-Y512 HydrophobicContact CG1-CD1 3.9Å; V508-Y512 HydrophobicContact CG2-CD1 4.3Å; V508-L521 HydrophobicContact CG1-CD1 4.13Å; V508-L521 HydrophobicContact CG1-CD2 4.47Å; V508-L521 HydrophobicContact CG2-CD2 3.72Å
509S91.3Very high79Confident1 Ų171.4 Ų71.41%0.00735%0.351CS..  trans-62.4155.8178.177.10000112.6E291 R511 Y512 S513E291-S509 WeakPolarHBondContact OE1-CB 3.42Å; E291-S509 PolarHBondContact OE1-OG 3.14Å; S509-R511 PolarHBondContact O-N 3.35Å; S509-R511 VanDerWaalsContact O-N 3.12Å; S509-Y512 PolarHBondContact O-N 2.82Å; S509-Y512 PolarHBondContact OG-N 2.78Å; S509-S513 PolarHBondContact O-N 3.36Å; S509-S513 PolarHBondContact O-OG 2.92Å
510P88.3Confident81.1Confident12 Ų1270.7 Ų70.78%0.07833%0.33CS..Hα-helixtrans-58-25.4177.7-29.939.4000115.1L219 Y223 M289 S513 K514L219-P510 HydrophobicContact CD2-CG 3.97Å; L219-P510 HydrophobicContact CG-CG 3.96Å; Y223-P510 HydrophobicContact CD1-CB 4.07Å; Y223-P510 HydrophobicContact CD1-CG 4.1Å; Y223-P510 HydrophobicContact CD2-CB 4.47Å; Y223-P510 HydrophobicContact CD2-CG 3.87Å; Y223-P510 HydrophobicContact CE1-CB 4.32Å; Y223-P510 HydrophobicContact CE2-CG 4.46Å; Y223-P510 HydrophobicContact CG-CB 4.14Å; Y223-P510 HydrophobicContact CG-CG 3.66Å; M289-P510 WeakPolarHBondContact O-CD 3.36Å; P510-S513 WeakPolarHBondContact CA-OG 3.5Å; P510-S513 PolarHBondContact O-OG 3.46Å; P510-S513 VanDerWaalsContact O-OG 3.1Å; P510-K514 WeakPolarHBondContact O-CG 3.19Å
511R86.3Confident83.1Confident101 Ų10164.7 Ų64.738%0.38130%0.3SS..Hα-helixtrans-72.9-41.2174.5-173.9176.759.7149-0.4111.1E291 D294 S509 K514 K515E291-R511 WeakPolarHBondContact OE1-CB 3.29Å; E291-R511 IonicContact OE1-CZ 3.59Å; E291-R511 IonicContact OE1-NE 3.63Å; E291-R511 PolarHBondContact OE1-NE 3.4Å; E291-R511 IonicContact OE1-NH2 3.53Å; E291-R511 IonicContact OE2-NE 3.59Å; D294-R511 IonicContact OD1-NH2 3.88Å; S509-R511 PolarHBondContact O-N 3.35Å; S509-R511 VanDerWaalsContact O-N 3.12Å; R511-K514 PolarHBondContact O-N 3.4Å; R511-K515 PolarHBondContact O-N 3.28Å
512Y83.4Confident84.7Confident7 Ų757.2 Ų57.23%0.02727%0.268CS..Hα-helixtrans-75.9-37.9-175.8-156.3-108.8000112.3D297 M300 L301 V508 S509 K514 K515 L516 L521D297-Y512 HydrophobicContact CB-CE2 3.72Å; D297-Y512 PolarHBondContact O-OH 3.05Å; D297-Y512 VanDerWaalsContact O-OH 3.11Å; D297-Y512 VanDerWaalsContact OD1-CE2 3.32Å; D297-Y512 WeakPolarHBondContact OD1-CE2 3.43Å; M300-Y512 HydrophobicContact CG-CD1 3.84Å; M300-Y512 HydrophobicContact CG-CD2 4.4Å; M300-Y512 HydrophobicContact CG-CE1 4.17Å; M300-Y512 HydrophobicContact CG-CG 3.94Å; L301-Y512 HydrophobicContact CD2-CE1 3.97Å; L301-Y512 HydrophobicContact CG-CE1 4.19Å; V508-Y512 HydrophobicContact CB-CD1 3.99Å; V508-Y512 HydrophobicContact CG1-CD1 3.9Å; V508-Y512 HydrophobicContact CG2-CD1 4.3Å; S509-Y512 PolarHBondContact O-N 2.82Å; S509-Y512 PolarHBondContact OG-N 2.78Å; Y512-K514 PolarHBondContact O-N 3.49Å; Y512-K515 HydrophobicContact CD2-CD 4.16Å; Y512-K515 PolarHBondContact O-N 2.89Å; Y512-L516 HydrophobicContact CD1-CD1 4.42Å; Y512-L516 HydrophobicContact CE1-CD1 3.66Å; Y512-L516 HydrophobicContact CE2-CD1 4.49Å; Y512-L516 PolarHBondContact O-N 3.49Å; Y512-L521 HydrophobicContact CD1-CD1 4.07Å; Y512-L521 HydrophobicContact CE1-CD1 3.88Å
513S84.7Confident85.6Confident23 Ų2358.8 Ų58.816%0.16129%0.285CS..Hα-helixtrans-58.9-30.4172.553.90000112.9S509 P510S509-S513 PolarHBondContact O-N 3.36Å; S509-S513 PolarHBondContact O-OG 2.92Å; P510-S513 WeakPolarHBondContact CA-OG 3.5Å; P510-S513 PolarHBondContact O-OG 3.46Å; P510-S513 VanDerWaalsContact O-OG 3.1Å
514K85.6Confident86.1Confident178 Ų17859.7 Ų59.777%0.77428%0.282SS*.Hα-helixtrans-78.2-22.5175.1-68.3175.7-168.1178.50114.2P510 R511 Y512P510-K514 WeakPolarHBondContact O-CG 3.19Å; R511-K514 PolarHBondContact O-N 3.4Å; Y512-K514 PolarHBondContact O-N 3.49Å
515K84.8Confident86.4Confident112 Ų11259.7 Ų59.749%0.48728%0.282SS..Hα-helixtrans-79.2-38.3-177.3-76.3-178-179.7-177.70112.8D297 R511 Y512D297-K515 IonicContact OD1-NZ 3.06Å; D297-K515 PolarHBondContact OD1-NZ 3.07Å; D297-K515 IonicContact OD2-NZ 3.69Å; R511-K515 PolarHBondContact O-N 3.28Å; Y512-K515 HydrophobicContact CD2-CD 4.16Å; Y512-K515 PolarHBondContact O-N 2.89Å
516L81.5Confident86.4Confident30 Ų3060.5 Ų60.516%0.15729%0.288CS..SBendtrans-113.8143-173.4-67.5172000110.9Y512 L521Y512-L516 HydrophobicContact CD1-CD1 4.42Å; Y512-L516 HydrophobicContact CE1-CD1 3.66Å; Y512-L516 HydrophobicContact CE2-CD1 4.49Å; Y512-L516 PolarHBondContact O-N 3.49Å; L516-L521 HydrophobicContact CB-CB 4.36Å; L516-L521 HydrophobicContact CD1-CD1 4.13Å
517K85.3Confident86.3Confident172 Ų17263.4 Ų63.475%0.74830%0.3SS*.  trans-67.5142.2171.4-66-176.7-179.7179.40109.6K519 Q520 L521K517-K519 VanDerWaalsContact C-N 3.31Å; K517-K519 PolarHBondContact O-N 3.06Å; K517-K519 VanDerWaalsContact O-N 3.14Å; K517-Q520 WeakPolarHBondContact O-CB 3.36Å; K517-Q520 PolarHBondContact O-N 3.32Å; K517-L521 PolarHBondContact O-N 3.35Å
518T85.4Confident85.8Confident62 Ų6263.8 Ų63.838%0.3831%0.306SS..Hα-helixtrans-46.2-49.8-177.5-37.40000112.7E505 Q520 L521 T522E505-T518 HydrophobicContact CG-CG2 4.3Å; E505-T518 WeakPolarHBondContact OE1-CG2 3.44Å; E505-T518 PolarHBondContact OE1-OG1 3.1Å; T518-Q520 VanDerWaalsContact C-N 3.34Å; T518-Q520 PolarHBondContact O-N 3.19Å; T518-L521 WeakPolarHBondContact O-CB 3.21Å; T518-L521 PolarHBondContact O-N 3.42Å; T518-T522 PolarHBondContact O-N 3.3Å; T518-T522 PolarHBondContact O-OG1 2.99Å
519K84.7Confident85.5Confident187 Ų18764.8 Ų64.881%0.81331%0.311SS*.Hα-helixtrans-58.8-40.5179.4-68.7-171.2176.5-1730114K517 A523K517-K519 VanDerWaalsContact C-N 3.31Å; K517-K519 PolarHBondContact O-N 3.06Å; K517-K519 VanDerWaalsContact O-N 3.14Å; K519-A523 PolarHBondContact O-N 3.03Å; K519-A523 VanDerWaalsContact O-N 3.14Å
520Q86.6Confident84.8Confident91 Ų9170.5 Ų70.543%0.42534%0.338SS..Hα-helixtrans-71.8-39.3179.7-175.3-179.19.100110.7K517 T518 A523 R524K517-Q520 WeakPolarHBondContact O-CB 3.36Å; K517-Q520 PolarHBondContact O-N 3.32Å; T518-Q520 VanDerWaalsContact C-N 3.34Å; T518-Q520 PolarHBondContact O-N 3.19Å; Q520-A523 PolarHBondContact O-N 3.23Å; Q520-R524 WeakPolarHBondContact O-CG 3.48Å; Q520-R524 PolarHBondContact O-N 3.24Å; Q520-R524 VanDerWaalsContact O-N 3.11Å
521L86.3Confident84.3Confident0 Ų072.6 Ų72.60%035%0.348CS..Hα-helixtrans-62.8-47.2175.5-177.864.7000111L301 A504 E505 V508 Y512 L516 K517 T518 A523 R524 I525L301-L521 HydrophobicContact CD2-CD1 4.01Å; A504-L521 HydrophobicContact CB-CB 4.36Å; A504-L521 HydrophobicContact CB-CD2 3.95Å; A504-L521 HydrophobicContact CB-CG 3.96Å; E505-L521 HydrophobicContact CG-CD2 4.48Å; V508-L521 HydrophobicContact CG1-CD1 4.13Å; V508-L521 HydrophobicContact CG1-CD2 4.47Å; V508-L521 HydrophobicContact CG2-CD2 3.72Å; Y512-L521 HydrophobicContact CD1-CD1 4.07Å; Y512-L521 HydrophobicContact CE1-CD1 3.88Å; L516-L521 HydrophobicContact CB-CB 4.36Å; L516-L521 HydrophobicContact CD1-CD1 4.13Å; K517-L521 PolarHBondContact O-N 3.35Å; T518-L521 WeakPolarHBondContact O-CB 3.21Å; T518-L521 PolarHBondContact O-N 3.42Å; L521-A523 VanDerWaalsContact C-N 3.34Å; L521-A523 PolarHBondContact O-N 2.99Å; L521-R524 PolarHBondContact O-N 2.96Å; L521-I525 HydrophobicContact CD1-CD1 4.08Å; L521-I525 HydrophobicContact CD1-CG1 4.38Å; L521-I525 HydrophobicContact CG-CD1 3.91Å; L521-I525 WeakPolarHBondContact O-CG1 3.3Å; L521-I525 PolarHBondContact O-N 2.63Å
522T87.5Confident84Confident35 Ų3568.1 Ų68.122%0.21533%0.332CS..Hα-helixtrans-53.5-50.3175-57.80000111.3M502 A504 T518 R524 I525 L526M502-T522 HydrophobicContact CE-CG2 3.33Å; M502-T522 WeakPolarHBondContact CE-O 3.47Å; A504-T522 WeakPolarHBondContact CB-OG1 3.27Å; T518-T522 PolarHBondContact O-N 3.3Å; T518-T522 PolarHBondContact O-OG1 2.99Å; T522-R524 PolarHBondContact O-N 3.01Å; T522-I525 PolarHBondContact O-N 2.83Å; T522-L526 HydrophobicContact CG2-CD1 4.12Å; T522-L526 WeakPolarHBondContact O-CG 3.43Å; T522-L526 PolarHBondContact O-N 3.03Å
523A86.9Confident83.8Confident58 Ų5870.2 Ų70.248%0.47935%0.35SS..Hα-helixtrans-59.5-45.3-179.900000112.3K519 Q520 L521 L526 E527K519-A523 PolarHBondContact O-N 3.03Å; K519-A523 VanDerWaalsContact O-N 3.14Å; Q520-A523 PolarHBondContact O-N 3.23Å; L521-A523 VanDerWaalsContact C-N 3.34Å; L521-A523 PolarHBondContact O-N 2.99Å; A523-L526 PolarHBondContact O-N 2.97Å; A523-E527 WeakPolarHBondContact O-CB 3.48Å; A523-E527 PolarHBondContact O-N 3.44Å
524R86.8Confident83.6Confident100 Ų10078.9 Ų78.938%0.37739%0.385SS..Hα-helixtrans-66.6-37179.6-73.6-174.2171-167-3.5113.4L301 Q520 L521 T522 A528L301-R524 HydrophobicContact CD1-CB 4.27Å; L301-R524 HydrophobicContact CD2-CB 3.87Å; Q520-R524 WeakPolarHBondContact O-CG 3.48Å; Q520-R524 PolarHBondContact O-N 3.24Å; Q520-R524 VanDerWaalsContact O-N 3.11Å; L521-R524 PolarHBondContact O-N 2.96Å; T522-R524 PolarHBondContact O-N 3.01Å; R524-A528 WeakPolarHBondContact O-CB 3.33Å; R524-A528 PolarHBondContact O-N 3.25Å
525I87.8Confident83.4Confident0 Ų071.9 Ų71.90%036%0.356CS..Hα-helixtrans-66.9-44.2176.6-69.3171.8000110.4L301 A304 M502 A504 F507 L521 T522 E527 A528 H529L301-I525 HydrophobicContact CD2-CG1 4.28Å; A304-I525 HydrophobicContact CB-CD1 3.86Å; A304-I525 HydrophobicContact CB-CG1 3.91Å; M502-I525 HydrophobicContact CE-CB 4.01Å; M502-I525 HydrophobicContact CE-CG2 4.01Å; M502-I525 HydrophobicContact SD-CG2 3.9Å; A504-I525 HydrophobicContact CB-CD1 4.01Å; F507-I525 HydrophobicContact CB-CD1 4.4Å; L521-I525 HydrophobicContact CD1-CD1 4.08Å; L521-I525 HydrophobicContact CD1-CG1 4.38Å; L521-I525 HydrophobicContact CG-CD1 3.91Å; L521-I525 WeakPolarHBondContact O-CG1 3.3Å; L521-I525 PolarHBondContact O-N 2.63Å; T522-I525 PolarHBondContact O-N 2.83Å; I525-E527 VanDerWaalsContact C-N 3.34Å; I525-A528 PolarHBondContact O-N 3.49Å; I525-H529 WeakPolarHBondContact O-CB 3.27Å; I525-H529 PolarHBondContact O-N 2.79Å
526L85.6Confident83.5Confident71 Ų7168.9 Ų68.937%0.37235%0.349SS..Hα-helixtrans-66.2-37178.1-69.1174.9000112.3Y308 M502 T522 A523 H529 Q530Y308-L526 HydrophobicContact CE1-CD2 4.07Å; M502-L526 HydrophobicContact CE-CD1 4.23Å; M502-L526 HydrophobicContact CE-CD2 4Å; M502-L526 HydrophobicContact CE-CG 3.68Å; M502-L526 HydrophobicContact SD-CD2 3.98Å; M502-L526 HydrophobicContact SD-CG 4.33Å; T522-L526 HydrophobicContact CG2-CD1 4.12Å; T522-L526 WeakPolarHBondContact O-CG 3.43Å; T522-L526 PolarHBondContact O-N 3.03Å; A523-L526 PolarHBondContact O-N 2.97Å; L526-H529 WeakPolarHBondContact O-CB 3.38Å; L526-H529 PolarHBondContact O-N 3.43Å; L526-Q530 PolarHBondContact O-N 2.75Å
527E82.8Confident83.6Confident74 Ų7470.3 Ų70.335%0.34636%0.357SS..Hα-helixtrans-62.2-48.1174-175.6174.5-148.800111.5P488 A523 I525 H529 Q530P488-E527 WeakPolarHBondContact CB-OE1 3.3Å; P488-E527 WeakPolarHBondContact CD-OE1 3.28Å; P488-E527 HydrophobicContact CG-CG 3.78Å; P488-E527 WeakPolarHBondContact CG-OE1 3.31Å; A523-E527 WeakPolarHBondContact O-CB 3.48Å; A523-E527 PolarHBondContact O-N 3.44Å; I525-E527 VanDerWaalsContact C-N 3.34Å; E527-H529 VanDerWaalsContact C-N 3.28Å; E527-H529 PolarHBondContact O-N 3.01Å; E527-Q530 PolarHBondContact O-N 3.04Å
528A79.9Confident83.6Confident25 Ų2564.1 Ų64.121%0.20733%0.331CS..Hα-helixtrans-64.8-31.7174.800000112.7R524 I525 Q530 N531R524-A528 WeakPolarHBondContact O-CB 3.33Å; R524-A528 PolarHBondContact O-N 3.25Å; I525-A528 PolarHBondContact O-N 3.49Å; A528-Q530 VanDerWaalsContact C-N 3.32Å; A528-Q530 PolarHBondContact O-N 3.44Å; A528-N531 PolarHBondContact O-N 3.29Å
529H83.2Confident83.6Confident21 Ų2165.7 Ų65.710%0.09733%0.334CS..Hα-helixtrans-63.2-33.9178.8179-105000113Y308 H309 I525 L526 E527 N531 I532 A533Y308-H529 HydrophobicContact CD1-CB 4.4Å; Y308-H529 AromaticContact CD1-CD2 3.8Å; Y308-H529 AromaticContact CD1-CG 3.92Å; H309-H529 AromaticContact CG-NE2 3.63Å; H309-H529 AromaticContact ND1-NE2 3.3Å; H309-H529 PolarHBondContact ND1-NE2 3.45Å; I525-H529 WeakPolarHBondContact O-CB 3.27Å; I525-H529 PolarHBondContact O-N 2.79Å; L526-H529 WeakPolarHBondContact O-CB 3.38Å; L526-H529 PolarHBondContact O-N 3.43Å; E527-H529 VanDerWaalsContact C-N 3.28Å; E527-H529 PolarHBondContact O-N 3.01Å; H529-N531 PolarHBondContact O-N 3.47Å; H529-N531 VanDerWaalsContact O-N 3.1Å; H529-I532 CarbonylContact O-C 3.54Å; H529-I532 VanDerWaalsContact O-CG1 3.22Å; H529-I532 WeakPolarHBondContact O-CG1 3.29Å; H529-I532 PolarHBondContact O-N 3.05Å; H529-A533 PolarHBondContact O-N 2.84Å
530Q78.3Confident83.7Confident122 Ų12256.8 Ų56.857%0.5730%0.296SS*.Hα-helixtrans-55.4-33.1179.3-67.9179.83.300112.8L526 E527 A528 I532L526-Q530 PolarHBondContact O-N 2.75Å; E527-Q530 PolarHBondContact O-N 3.04Å; A528-Q530 VanDerWaalsContact C-N 3.32Å; A528-Q530 PolarHBondContact O-N 3.44Å; Q530-I532 VanDerWaalsContact C-N 3.28Å; Q530-I532 PolarHBondContact O-N 3.24Å
531N76.3Confident84Confident55 Ų5552.7 Ų52.729%0.29428%0.276SS..THydrogen-bonded Turntrans-75.5-16.6-178.5-63.4-30000113.8L486 A528 H529L486-N531 VanDerWaalsContact CB-CG 3.46Å; L486-N531 WeakPolarHBondContact CB-ND2 3.38Å; L486-N531 WeakPolarHBondContact CB-OD1 3.41Å; L486-N531 PolarHBondContact O-ND2 3.42Å; A528-N531 PolarHBondContact O-N 3.29Å; H529-N531 PolarHBondContact O-N 3.47Å; H529-N531 VanDerWaalsContact O-N 3.1Å
532I81.4Confident84.1Confident8 Ų854 Ų544%0.04128%0.283CS..THydrogen-bonded Turntrans-122.10.6-175.258.8165.7000113S305 L306 H309 M483 H529 Q530 K534 L535S305-I532 VanDerWaalsContact C-CD1 3.46Å; S305-I532 WeakPolarHBondContact O-CD1 3.32Å; L306-I532 HydrophobicContact CB-CD1 4.44Å; L306-I532 HydrophobicContact CD2-CD1 3.75Å; L306-I532 HydrophobicContact CD2-CG2 4.34Å; L306-I532 HydrophobicContact CG-CD1 3.97Å; H309-I532 HydrophobicContact CB-CD1 4.09Å; H309-I532 PolarHBondContact CD2-O 3.38Å; H309-I532 PolarHBondContact NE2-O 2.88Å; H309-I532 VanDerWaalsContact NE2-O 3.16Å; M483-I532 HydrophobicContact SD-CG2 4.2Å; H529-I532 CarbonylContact O-C 3.54Å; H529-I532 VanDerWaalsContact O-CG1 3.22Å; H529-I532 WeakPolarHBondContact O-CG1 3.29Å; H529-I532 PolarHBondContact O-N 3.05Å; Q530-I532 VanDerWaalsContact C-N 3.28Å; Q530-I532 PolarHBondContact O-N 3.24Å; I532-K534 PolarHBondContact O-N 3.47Å; I532-L535 HydrophobicContact CB-CD1 3.83Å; I532-L535 HydrophobicContact CB-CG 4.31Å; I532-L535 HydrophobicContact CG2-CD1 3.99Å; I532-L535 WeakPolarHBondContact O-CB 3.47Å; I532-L535 WeakPolarHBondContact O-CG 3.42Å; I532-L535 PolarHBondContact O-N 3.23Å
533A77.9Confident84.1Confident50 Ų5055.2 Ų55.241%0.41328%0.284SS..THydrogen-bonded Turntrans-60.8-16.3-173.300000115.1H529H529-A533 PolarHBondContact O-N 2.84Å
534K81.4Confident84.6Confident205 Ų20552.5 Ų52.589%0.89126%0.261SS*.THydrogen-bonded Turntrans-94.1-5.7178.9-62.3-175.4-179.4-177.30114.1I532I532-K534 PolarHBondContact O-N 3.47Å
535L82.1Confident84.9Confident32 Ų3247.8 Ų47.817%0.16824%0.243CC..  trans-69.6145.6-178.1-64.2-179.3000110.3L306 H309 I532 E539 A540 R543L306-L535 HydrophobicContact CD2-CD1 4.29Å; H309-L535 PolarHBondContact NE2-O 3.11Å; I532-L535 HydrophobicContact CB-CD1 3.83Å; I532-L535 HydrophobicContact CB-CG 4.31Å; I532-L535 HydrophobicContact CG2-CD1 3.99Å; I532-L535 WeakPolarHBondContact O-CB 3.47Å; I532-L535 WeakPolarHBondContact O-CG 3.42Å; I532-L535 PolarHBondContact O-N 3.23Å; L535-E539 HydrophobicContact CB-CB 4.31Å; L535-E539 HydrophobicContact CD2-CB 4.4Å; L535-A540 HydrophobicContact CB-CB 4.33Å; L535-R543 HydrophobicContact CD1-CG 3.9Å
536S85.7Confident85.1Confident49 Ų4951.5 Ų51.534%0.34326%0.261SS..  trans-71.4166.3166.4770000111I538 E539 A540S536-I538 VanDerWaalsContact C-N 3.32Å; S536-I538 PolarHBondContact O-N 2.91Å; S536-E539 PolarHBondContact N-OE2 3.46Å; S536-E539 PolarHBondContact O-N 3.3Å; S536-E539 WeakPolarHBondContact OG-CB 3.35Å; S536-E539 WeakPolarHBondContact OG-CG 3.34Å; S536-E539 PolarHBondContact OG-N 3.05Å; S536-E539 PolarHBondContact OG-OE2 3.33Å; S536-A540 WeakPolarHBondContact O-CB 3.26Å; S536-A540 PolarHBondContact O-N 2.92Å
537L84.2Confident85.3Confident60 Ų6048.4 Ų48.431%0.31425%0.246SC..Hα-helixtrans-57.2-45.5179.1177.161.8000111.9I310 L313 K541I310-L537 HydrophobicContact CB-CD1 4.34Å; I310-L537 HydrophobicContact CG1-CD1 4.45Å; I310-L537 HydrophobicContact CG2-CD1 3.89Å; L313-L537 HydrophobicContact CB-CB 4.43Å; L313-L537 HydrophobicContact CB-CD1 4.11Å; L313-L537 HydrophobicContact CD1-CB 4.14Å; L537-K541 WeakPolarHBondContact O-CG 3.35Å; L537-K541 PolarHBondContact O-N 2.95Å
538I85.1Confident85.9Confident41 Ų4145.5 Ų45.521%0.2123%0.231CC..Hα-helixtrans-73.2-36.3-177.9-162.863.3000111.6P270 I277 S536 K541 M542P270-I538 HydrophobicContact CB-CG1 3.77Å; P270-I538 HydrophobicContact CB-CG2 4.03Å; P270-I538 HydrophobicContact CG-CG1 4.42Å; I277-I538 HydrophobicContact CB-CD1 3.95Å; I277-I538 HydrophobicContact CD1-CD1 3.89Å; I277-I538 HydrophobicContact CD1-CG1 4.2Å; I277-I538 HydrophobicContact CG2-CD1 3.56Å; S536-I538 VanDerWaalsContact C-N 3.32Å; S536-I538 PolarHBondContact O-N 2.91Å; I538-K541 HydrophobicContact CD1-CD 4.36Å; I538-K541 PolarHBondContact O-N 2.8Å; I538-M542 WeakPolarHBondContact O-CB 3.38Å; I538-M542 VanDerWaalsContact O-CG 3.31Å; I538-M542 WeakPolarHBondContact O-CG 3.37Å; I538-M542 PolarHBondContact O-N 2.92Å
539E85.1Confident86.5Confident96 Ų9647.8 Ų47.845%0.44924%0.238SC..Hα-helixtrans-63.6-43.6174-74176.2151.800111.4L535 S536 K541 M542 R543L535-E539 HydrophobicContact CB-CB 4.31Å; L535-E539 HydrophobicContact CD2-CB 4.4Å; S536-E539 PolarHBondContact N-OE2 3.46Å; S536-E539 PolarHBondContact O-N 3.3Å; S536-E539 WeakPolarHBondContact OG-CB 3.35Å; S536-E539 WeakPolarHBondContact OG-CG 3.34Å; S536-E539 PolarHBondContact OG-N 3.05Å; S536-E539 PolarHBondContact OG-OE2 3.33Å; E539-K541 VanDerWaalsContact C-N 3.34Å; E539-K541 PolarHBondContact O-N 3.05Å; E539-M542 PolarHBondContact O-N 3.26Å; E539-R543 VanDerWaalsContact O-CG 3.31Å; E539-R543 WeakPolarHBondContact O-CG 3.47Å; E539-R543 PolarHBondContact O-N 2.85Å
540A86.9Confident86.8Confident0 Ų049.5 Ų49.50%025%0.252CS..Hα-helixtrans-60.6-43177.100000111.7L306 I310 L535 S536 R543 F544L306-A540 HydrophobicContact CD2-CB 4.37Å; I310-A540 HydrophobicContact CD1-CB 4.18Å; I310-A540 HydrophobicContact CG1-CB 3.67Å; L535-A540 HydrophobicContact CB-CB 4.33Å; S536-A540 WeakPolarHBondContact O-CB 3.26Å; S536-A540 PolarHBondContact O-N 2.92Å; A540-R543 PolarHBondContact O-N 2.92Å; A540-F544 PolarHBondContact O-N 3.44Å
541K92.9Very high87.5Confident4 Ų444 Ų442%0.01723%0.227CC..Hα-helixtrans-59.7-46172.5-71.7174.3176.3178.60111.5A208 S210 I277 T278 Y281 I310 L537 I538 E539 F544 I545A208-K541 PolarHBondContact O-NZ 2.99Å; S210-K541 WeakPolarHBondContact OG-CE 3.23Å; S210-K541 PolarHBondContact OG-NZ 2.91Å; I277-K541 HydrophobicContact CG2-CB 3.93Å; T278-K541 PolarHBondContact OG1-NZ 3.08Å; Y281-K541 HydrophobicContact CD1-CG 4.15Å; Y281-K541 HydrophobicContact CD2-CG 4.45Å; Y281-K541 HydrophobicContact CG-CB 4.34Å; Y281-K541 HydrophobicContact CG-CG 4.01Å; I310-K541 HydrophobicContact CD1-CG 3.95Å; I310-K541 HydrophobicContact CG1-CG 4.32Å; L537-K541 WeakPolarHBondContact O-CG 3.35Å; L537-K541 PolarHBondContact O-N 2.95Å; I538-K541 HydrophobicContact CD1-CD 4.36Å; I538-K541 PolarHBondContact O-N 2.8Å; E539-K541 VanDerWaalsContact C-N 3.34Å; E539-K541 PolarHBondContact O-N 3.05Å; K541-F544 WeakPolarHBondContact O-CB 3.31Å; K541-F544 PolarHBondContact O-N 3.05Å; K541-I545 WeakPolarHBondContact O-CG1 3.16Å; K541-I545 PolarHBondContact O-N 3.29Å
542M88.8Confident88.1Confident29 Ų2946.4 Ų46.414%0.14325%0.245CC..Hα-helixtrans-63.7-41.2177.9-73.8-65.2-75.100112.5L268 P270 I277 I538 E539 F544 I545 Q546L268-M542 HydrophobicContact CB-CE 3.77Å; L268-M542 HydrophobicContact CB-SD 4.28Å; L268-M542 HydrophobicContact CD1-CE 4.33Å; L268-M542 HydrophobicContact CD1-SD 4.43Å; P270-M542 HydrophobicContact CG-CG 4.49Å; I277-M542 HydrophobicContact CD1-CG 4.4Å; I277-M542 HydrophobicContact CD1-SD 3.83Å; I277-M542 HydrophobicContact CG1-SD 3.88Å; I277-M542 HydrophobicContact CG2-CG 4.22Å; I277-M542 HydrophobicContact CG2-SD 3.92Å; I538-M542 WeakPolarHBondContact O-CB 3.38Å; I538-M542 VanDerWaalsContact O-CG 3.31Å; I538-M542 WeakPolarHBondContact O-CG 3.37Å; I538-M542 PolarHBondContact O-N 2.92Å; E539-M542 PolarHBondContact O-N 3.26Å; M542-F544 VanDerWaalsContact C-N 3.32Å; M542-F544 PolarHBondContact O-N 3.34Å; M542-I545 PolarHBondContact O-N 2.84Å; M542-I545 HydrophobicContact SD-CD1 4.42Å; M542-Q546 WeakPolarHBondContact O-CB 3.47Å; M542-Q546 VanDerWaalsContact O-CG 3.25Å; M542-Q546 WeakPolarHBondContact O-CG 3.07Å; M542-Q546 PolarHBondContact O-N 2.87Å
543R87.7Confident88.5Confident60 Ų6049.3 Ų49.323%0.22626%0.259CS..Hα-helixtrans-62.8-38.9174.3-68.7-56.3-170.5158.22.8111.8L306 M483 L535 E539 A540 Q546 A547L306-R543 HydrophobicContact CD1-CB 4.37Å; L306-R543 HydrophobicContact CD2-CB 4.09Å; M483-R543 VanDerWaalsContact CE-CZ 3.47Å; L535-R543 HydrophobicContact CD1-CG 3.9Å; E539-R543 VanDerWaalsContact O-CG 3.31Å; E539-R543 WeakPolarHBondContact O-CG 3.47Å; E539-R543 PolarHBondContact O-N 2.85Å; A540-R543 PolarHBondContact O-N 2.92Å; R543-Q546 PolarHBondContact O-N 3.47Å; R543-A547 WeakPolarHBondContact O-CB 3.4Å; R543-A547 PolarHBondContact O-N 3.34Å
544F95.8Very high89.3Confident0 Ų048.3 Ų48.30%025%0.245CC..Hα-helixtrans-60.5-48.8174.4-167.9-72.8000110.9Y281 A284 R285 I288 F303 L306 Q307 A540 K541 M542 Q546 A547 W548Y281-F544 HydrophobicContact CD2-CB 3.91Å; Y281-F544 AromaticContact CD2-CD1 3.81Å; Y281-F544 HydrophobicContact CD2-CD1 3.81Å; Y281-F544 HydrophobicContact CD2-CD2 4.27Å; Y281-F544 HydrophobicContact CD2-CE1 4.46Å; Y281-F544 AromaticContact CD2-CG 3.72Å; Y281-F544 HydrophobicContact CD2-CG 3.72Å; Y281-F544 HydrophobicContact CE2-CB 4.19Å; Y281-F544 HydrophobicContact CE2-CD1 4.1Å; Y281-F544 AromaticContact CE2-CD2 3.81Å; Y281-F544 HydrophobicContact CE2-CD2 3.81Å; Y281-F544 HydrophobicContact CE2-CE2 4.24Å; Y281-F544 AromaticContact CE2-CG 3.76Å; Y281-F544 HydrophobicContact CE2-CG 3.76Å; A284-F544 HydrophobicContact CB-CD1 4.08Å; A284-F544 HydrophobicContact CB-CE1 3.85Å; R285-F544 HydrophobicContact CB-CE1 4.35Å; R285-F544 HydrophobicContact CB-CZ 4.2Å; R285-F544 HydrophobicContact CG-CZ 4.49Å; I288-F544 HydrophobicContact CG1-CE1 4.48Å; I288-F544 HydrophobicContact CG1-CZ 4.35Å; F303-F544 HydrophobicContact CB-CE2 3.73Å; F303-F544 HydrophobicContact CB-CZ 4.13Å; F303-F544 HydrophobicContact CD1-CD1 4.17Å; F303-F544 AromaticContact CD1-CD2 3.73Å; F303-F544 HydrophobicContact CD1-CD2 3.73Å; F303-F544 AromaticContact CD1-CE1 3.86Å; F303-F544 HydrophobicContact CD1-CE1 3.86Å; F303-F544 AromaticContact CD1-CE2 3.39Å; F303-F544 HydrophobicContact CD1-CE2 3.39Å; F303-F544 HydrophobicContact CD1-CG 4.09Å; F303-F544 AromaticContact CD1-CZ 3.46Å; F303-F544 HydrophobicContact CD1-CZ 3.46Å; F303-F544 VanDerWaalsContact CD1-CZ 3.46Å; F303-F544 HydrophobicContact CE1-CD1 4.27Å; F303-F544 HydrophobicContact CE1-CE1 4.08Å; F303-F544 HydrophobicContact CE1-CE2 4.36Å; F303-F544 HydrophobicContact CE1-CG 4.47Å; F303-F544 HydrophobicContact CE1-CZ 4.13Å; F303-F544 AromaticContact CG-CE2 3.95Å; F303-F544 HydrophobicContact CG-CE2 3.95Å; F303-F544 HydrophobicContact CG-CZ 4.04Å; L306-F544 HydrophobicContact CB-CD2 3.92Å; L306-F544 HydrophobicContact CD1-CB 4.18Å; L306-F544 HydrophobicContact CD1-CD2 4.32Å; Q307-F544 HydrophobicContact CG-CD2 4.3Å; Q307-F544 HydrophobicContact CG-CE2 3.68Å; Q307-F544 HydrophobicContact CG-CZ 4.49Å; A540-F544 PolarHBondContact O-N 3.44Å; K541-F544 WeakPolarHBondContact O-CB 3.31Å; K541-F544 PolarHBondContact O-N 3.05Å; M542-F544 VanDerWaalsContact C-N 3.32Å; M542-F544 PolarHBondContact O-N 3.34Å; F544-Q546 PolarHBondContact O-N 2.91Å; F544-A547 PolarHBondContact O-N 3.07Å; F544-W548 WeakPolarHBondContact O-CB 3.44Å; F544-W548 PolarHBondContact O-N 3.46Å
545I94.9Very high89.9Confident1 Ų139 Ų391%0.00521%0.207CC..Hα-helixtrans-60.8-44.6177.8-65.9161000110.7I277 L280 K541 M542 A547 W548 Q549I277-I545 HydrophobicContact CG2-CD1 4Å; L280-I545 HydrophobicContact CB-CD1 4.15Å; L280-I545 HydrophobicContact CD2-CD1 4.02Å; L280-I545 HydrophobicContact CD2-CG1 4.49Å; L280-I545 HydrophobicContact CD2-CG2 3.99Å; L280-I545 HydrophobicContact CG-CD1 3.96Å; L280-I545 HydrophobicContact CG-CG1 4.21Å; L280-I545 HydrophobicContact CG-CG2 4.35Å; K541-I545 WeakPolarHBondContact O-CG1 3.16Å; K541-I545 PolarHBondContact O-N 3.29Å; M542-I545 PolarHBondContact O-N 2.84Å; M542-I545 HydrophobicContact SD-CD1 4.42Å; I545-A547 PolarHBondContact O-N 3.34Å; I545-W548 HydrophobicContact CG2-CE3 4.43Å; I545-W548 WeakPolarHBondContact O-CB 3.44Å; I545-W548 PolarHBondContact O-N 2.86Å; I545-Q549 HydrophobicContact CG2-CG 4.39Å; I545-Q549 VanDerWaalsContact O-CG 3.28Å; I545-Q549 WeakPolarHBondContact O-CG 3.37Å; I545-Q549 PolarHBondContact O-N 2.88Å
546Q90.6Very high90.5Very high78 Ų7838.6 Ų38.636%0.36421%0.205SC..Hα-helixtrans-62.5-41.5178-73.1170.20.700112.6M542 R543 F544 Q549 S550M542-Q546 WeakPolarHBondContact O-CB 3.47Å; M542-Q546 VanDerWaalsContact O-CG 3.25Å; M542-Q546 WeakPolarHBondContact O-CG 3.07Å; M542-Q546 PolarHBondContact O-N 2.87Å; R543-Q546 PolarHBondContact O-N 3.47Å; F544-Q546 PolarHBondContact O-N 2.91Å; Q546-Q549 PolarHBondContact O-N 2.75Å; Q546-S550 PolarHBondContact O-N 3.08Å
547A89.4Confident91Very high7 Ų736.9 Ų36.96%0.05819%0.192CC..Hα-helixtrans-63.8-43.2175.100000111M302 F303 R543 F544 I545 Q549 S550M302-A547 HydrophobicContact SD-CB 4.06Å; F303-A547 HydrophobicContact CD1-CB 4.44Å; F303-A547 HydrophobicContact CE1-CB 3.59Å; F303-A547 HydrophobicContact CZ-CB 3.93Å; R543-A547 WeakPolarHBondContact O-CB 3.4Å; R543-A547 PolarHBondContact O-N 3.34Å; F544-A547 PolarHBondContact O-N 3.07Å; I545-A547 PolarHBondContact O-N 3.34Å; A547-Q549 PolarHBondContact O-N 2.83Å; A547-S550 WeakPolarHBondContact O-CB 3.46Å; A547-S550 PolarHBondContact O-N 2.57Å; A547-S550 VanDerWaalsContact O-N 3.11Å; A547-S550 PolarHBondContact O-OG 3.43Å
548W96Very high91.6Very high13 Ų1334.7 Ų34.75%0.04918%0.179CC..Hα-helixtrans-60.3-42.4174172.561.3000112.6F265 L280 A284 F303 F544 I545 S550 L551 F554F265-W548 HydrophobicContact CE2-CH2 4.4Å; F265-W548 AromaticContact CE2-CZ3 3.72Å; F265-W548 HydrophobicContact CE2-CZ3 3.72Å; F265-W548 HydrophobicContact CZ-CH2 4.1Å; F265-W548 AromaticContact CZ-CZ3 3.83Å; F265-W548 HydrophobicContact CZ-CZ3 3.83Å; L280-W548 HydrophobicContact CD1-CH2 4.36Å; L280-W548 HydrophobicContact CD1-CZ3 3.88Å; A284-W548 HydrophobicContact CB-CB 4.16Å; A284-W548 HydrophobicContact CB-CD2 3.51Å; A284-W548 HydrophobicContact CB-CE3 3.57Å; A284-W548 HydrophobicContact CB-CG 3.78Å; A284-W548 HydrophobicContact CB-CZ3 4.08Å; F303-W548 HydrophobicContact CE1-CB 4.28Å; F303-W548 HydrophobicContact CZ-CB 4.36Å; F544-W548 WeakPolarHBondContact O-CB 3.44Å; F544-W548 PolarHBondContact O-N 3.46Å; I545-W548 HydrophobicContact CG2-CE3 4.43Å; I545-W548 WeakPolarHBondContact O-CB 3.44Å; I545-W548 PolarHBondContact O-N 2.86Å; W548-S550 PolarHBondContact O-N 2.68Å; W548-L551 WeakPolarHBondContact O-CB 3.41Å; W548-L551 WeakPolarHBondContact O-CG 3.4Å; W548-L551 PolarHBondContact O-N 2.78Å; W548-F554 AromaticContact CD2-CD2 3.79Å; W548-F554 HydrophobicContact CD2-CD2 3.79Å; W548-F554 AromaticContact CD2-CE2 3.65Å; W548-F554 HydrophobicContact CD2-CE2 3.65Å; W548-F554 AromaticContact CE2-CD2 3.67Å; W548-F554 AromaticContact CE2-CE2 3.67Å; W548-F554 HydrophobicContact CE3-CD2 4.16Å; W548-F554 AromaticContact CE3-CE2 3.54Å; W548-F554 HydrophobicContact CE3-CE2 3.54Å; W548-F554 HydrophobicContact CE3-CZ 4.49Å; W548-F554 HydrophobicContact CG-CD2 4.27Å; W548-F554 HydrophobicContact CH2-CD2 4.38Å; W548-F554 AromaticContact CH2-CE2 3.58Å; W548-F554 HydrophobicContact CH2-CE2 3.58Å; W548-F554 HydrophobicContact CH2-CZ 4.49Å; W548-F554 AromaticContact CZ2-CD2 3.97Å; W548-F554 HydrophobicContact CZ2-CD2 3.97Å; W548-F554 AromaticContact CZ2-CE2 3.64Å; W548-F554 HydrophobicContact CZ2-CE2 3.64Å; W548-F554 HydrophobicContact CZ3-CD2 4.45Å; W548-F554 AromaticContact CZ3-CE2 3.53Å; W548-F554 HydrophobicContact CZ3-CE2 3.53Å; W548-F554 HydrophobicContact CZ3-CZ 4.31Å
549Q92.6Very high92.1Very high73 Ų7332.7 Ų32.734%0.34117%0.169SC..Hα-helixtrans-62.7-23.1175.2-73.5179.9-44.800113.9F265 I545 Q546 A547 L551 F554F265-Q549 VanDerWaalsContact CD2-NE2 3.28Å; I545-Q549 HydrophobicContact CG2-CG 4.39Å; I545-Q549 VanDerWaalsContact O-CG 3.28Å; I545-Q549 WeakPolarHBondContact O-CG 3.37Å; I545-Q549 PolarHBondContact O-N 2.88Å; Q546-Q549 PolarHBondContact O-N 2.75Å; A547-Q549 PolarHBondContact O-N 2.83Å; Q549-L551 VanDerWaalsContact C-N 3.34Å; Q549-F554 HydrophobicContact CB-CD1 4.3Å; Q549-F554 HydrophobicContact CB-CE1 4.16Å; Q549-F554 HydrophobicContact CB-CE2 4.46Å; Q549-F554 HydrophobicContact CB-CZ 4.25Å; Q549-F554 HydrophobicContact CG-CD1 4.44Å; Q549-F554 HydrophobicContact CG-CD2 4.46Å; Q549-F554 HydrophobicContact CG-CE1 3.86Å; Q549-F554 HydrophobicContact CG-CE2 3.86Å; Q549-F554 HydrophobicContact CG-CZ 3.54Å; Q549-F554 WeakPolarHBondContact O-CD1 3.49Å
550S90.2Very high92.7Very high57 Ų5728.9 Ų28.940%0.39915%0.152SC..THydrogen-bonded Turntrans-84.3-8.8-179.278.10000114Q546 A547 W548Q546-S550 PolarHBondContact O-N 3.08Å; A547-S550 WeakPolarHBondContact O-CB 3.46Å; A547-S550 PolarHBondContact O-N 2.57Å; A547-S550 VanDerWaalsContact O-N 3.11Å; A547-S550 PolarHBondContact O-OG 3.43Å; W548-S550 PolarHBondContact O-N 2.68Å
551L92.4Very high93.1Very high6 Ų628.9 Ų28.93%0.03115%0.152CC..SBendtrans-68.4144.4180-64.2177.3000111.4I288 I293 C295 F303 W548 Q549 E553 F554I288-L551 HydrophobicContact CD1-CD1 3.61Å; I293-L551 HydrophobicContact CD1-CB 3.85Å; I293-L551 HydrophobicContact CD1-CD1 3.84Å; I293-L551 HydrophobicContact CG1-CB 4.45Å; I293-L551 HydrophobicContact CG1-CD1 4.03Å; I293-L551 HydrophobicContact CG2-CD1 4.14Å; C295-L551 HydrophobicContact CB-CD1 4.16Å; C295-L551 HydrophobicContact CB-CD2 3.71Å; F303-L551 HydrophobicContact CE2-CD1 4.23Å; F303-L551 HydrophobicContact CE2-CD2 4.45Å; F303-L551 HydrophobicContact CZ-CD1 4.16Å; W548-L551 WeakPolarHBondContact O-CB 3.41Å; W548-L551 WeakPolarHBondContact O-CG 3.4Å; W548-L551 PolarHBondContact O-N 2.78Å; Q549-L551 VanDerWaalsContact C-N 3.34Å; L551-E553 VanDerWaalsContact C-N 3.32Å; L551-E553 PolarHBondContact O-N 2.82Å; L551-F554 HydrophobicContact CB-CB 4.45Å; L551-F554 WeakPolarHBondContact O-CB 3.44Å; L551-F554 PolarHBondContact O-N 2.79Å
552P89.3Confident93.3Very high106 Ų10634 Ų3469%0.68817%0.171SC*.THydrogen-bonded Turntrans-59.9-35.9-174.3-26.135000115F554P552-F554 VanDerWaalsContact C-N 3.34Å
553E90.3Very high93.6Very high69 Ų6933.2 Ų33.232%0.32217%0.167SC..THydrogen-bonded Turntrans-915.9180-63.2-163.6178.600113.4K231 I293 L551 G555 I556 Y558K231-E553 IonicContact NZ-OE2 2.79Å; I293-E553 HydrophobicContact CD1-CB 4.43Å; I293-E553 HydrophobicContact CG1-CB 4.24Å; L551-E553 VanDerWaalsContact C-N 3.32Å; L551-E553 PolarHBondContact O-N 2.82Å; E553-G555 PolarHBondContact O-N 2.73Å; E553-I556 PolarHBondContact O-N 3Å; E553-Y558 PolarHBondContact OE2-OH 3.36Å
554F94.2Very high93.9Very high28 Ų2837.8 Ų37.812%0.12319%0.188CC..THydrogen-bonded Turntrans-59.3130-178.6172.7-98.9000111.6N263 F265 I293 W548 Q549 L551 P552 I556N263-F554 HydrophobicContact CB-CE1 4.02Å; N263-F554 HydrophobicContact CB-CE2 4.24Å; N263-F554 HydrophobicContact CB-CZ 3.64Å; F265-F554 HydrophobicContact CE2-CE2 4.4Å; F265-F554 AromaticContact CE2-CZ 3.9Å; F265-F554 HydrophobicContact CE2-CZ 3.9Å; F265-F554 HydrophobicContact CZ-CZ 4.38Å; I293-F554 HydrophobicContact CD1-CB 4.23Å; W548-F554 AromaticContact CD2-CD2 3.79Å; W548-F554 HydrophobicContact CD2-CD2 3.79Å; W548-F554 AromaticContact CD2-CE2 3.65Å; W548-F554 HydrophobicContact CD2-CE2 3.65Å; W548-F554 AromaticContact CE2-CD2 3.67Å; W548-F554 AromaticContact CE2-CE2 3.67Å; W548-F554 HydrophobicContact CE3-CD2 4.16Å; W548-F554 AromaticContact CE3-CE2 3.54Å; W548-F554 HydrophobicContact CE3-CE2 3.54Å; W548-F554 HydrophobicContact CE3-CZ 4.49Å; W548-F554 HydrophobicContact CG-CD2 4.27Å; W548-F554 HydrophobicContact CH2-CD2 4.38Å; W548-F554 AromaticContact CH2-CE2 3.58Å; W548-F554 HydrophobicContact CH2-CE2 3.58Å; W548-F554 HydrophobicContact CH2-CZ 4.49Å; W548-F554 AromaticContact CZ2-CD2 3.97Å; W548-F554 HydrophobicContact CZ2-CD2 3.97Å; W548-F554 AromaticContact CZ2-CE2 3.64Å; W548-F554 HydrophobicContact CZ2-CE2 3.64Å; W548-F554 HydrophobicContact CZ3-CD2 4.45Å; W548-F554 AromaticContact CZ3-CE2 3.53Å; W548-F554 HydrophobicContact CZ3-CE2 3.53Å; W548-F554 HydrophobicContact CZ3-CZ 4.31Å; Q549-F554 HydrophobicContact CB-CD1 4.3Å; Q549-F554 HydrophobicContact CB-CE1 4.16Å; Q549-F554 HydrophobicContact CB-CE2 4.46Å; Q549-F554 HydrophobicContact CB-CZ 4.25Å; Q549-F554 HydrophobicContact CG-CD1 4.44Å; Q549-F554 HydrophobicContact CG-CD2 4.46Å; Q549-F554 HydrophobicContact CG-CE1 3.86Å; Q549-F554 HydrophobicContact CG-CE2 3.86Å; Q549-F554 HydrophobicContact CG-CZ 3.54Å; Q549-F554 WeakPolarHBondContact O-CD1 3.49Å; L551-F554 HydrophobicContact CB-CB 4.45Å; L551-F554 WeakPolarHBondContact O-CB 3.44Å; L551-F554 PolarHBondContact O-N 2.79Å; P552-F554 VanDerWaalsContact C-N 3.34Å; F554-I556 PolarHBondContact O-N 3.07Å
555G93.3Very high93.5Very high9 Ų941.9 Ų41.99%0.09323%0.23CC..THydrogen-bonded Turntrans6732.817400000114.3E553 S575E553-G555 PolarHBondContact O-N 2.73Å; G555-S575 VanDerWaalsContact O-CA 3.23Å; G555-S575 WeakPolarHBondContact O-CA 3.46Å; G555-S575 WeakPolarHBondContact O-CB 3.45Å; G555-S575 PolarHBondContact O-OG 3.36Å
556I95.4Very high93.3Very high24 Ų2443.3 Ų43.312%0.12324%0.24CC..  trans-106.6116.9169.3-52.7177.4000108.9E553 F554 Y558 I580E553-I556 PolarHBondContact O-N 3Å; F554-I556 PolarHBondContact O-N 3.07Å; I556-Y558 HydrophobicContact CB-CE1 4.32Å; I556-Y558 HydrophobicContact CG2-CD1 3.97Å; I556-Y558 HydrophobicContact CG2-CE1 3.43Å; I556-Y558 VanDerWaalsContact CG2-CE1 3.43Å; I556-Y558 HydrophobicContact CG2-CE2 4.38Å; I556-I580 HydrophobicContact CD1-CD1 4.04Å
557N95.6Very high93.3Very high14 Ų1449.2 Ų49.28%0.07527%0.265CS..EExtended strand (participates in β ladder)trans-97.7122.2173.7-67.4-74.5000109.6Y559 G573 I574 F635 Y639N557-Y559 HydrophobicContact CB-CE2 3.89Å; N557-G573 CarbonylContact O-C 3.59Å; N557-G573 WeakPolarHBondContact O-CA 3.41Å; N557-I574 PolarHBondContact N-O 2.72Å; N557-I574 PolarHBondContact O-N 3.48Å; N557-F635 HydrophobicContact CB-CE1 4.18Å; N557-Y639 PolarHBondContact ND2-OH 3.3Å; N557-Y639 VanDerWaalsContact ND2-OH 3.14Å
558Y96.1Very high93.5Very high13 Ų1356.1 Ų56.15%0.05129%0.294CS..EExtended strand (participates in β ladder)trans-94.5143-175.6-57.1-72.6000111.8L228 K231 A232 N235 E553 I556 I571 L572 I582L228-Y558 HydrophobicContact CD2-CD1 4.35Å; L228-Y558 HydrophobicContact CD2-CD2 4.15Å; L228-Y558 HydrophobicContact CD2-CE1 4.02Å; L228-Y558 HydrophobicContact CD2-CE2 3.81Å; L228-Y558 HydrophobicContact CD2-CG 4.4Å; K231-Y558 HydrophobicContact CB-CD2 4.11Å; K231-Y558 HydrophobicContact CD-CD2 4.26Å; K231-Y558 HydrophobicContact CD-CE2 4.21Å; A232-Y558 VanDerWaalsContact CA-O 3.26Å; A232-Y558 WeakPolarHBondContact CA-O 3.46Å; N235-Y558 PolarHBondContact ND2-N 2.72Å; N235-Y558 PolarHBondContact ND2-O 3.43Å; E553-Y558 PolarHBondContact OE2-OH 3.36Å; I556-Y558 HydrophobicContact CB-CE1 4.32Å; I556-Y558 HydrophobicContact CG2-CD1 3.97Å; I556-Y558 HydrophobicContact CG2-CE1 3.43Å; I556-Y558 VanDerWaalsContact CG2-CE1 3.43Å; I556-Y558 HydrophobicContact CG2-CE2 4.38Å; Y558-I571 HydrophobicContact CD1-CG2 3.77Å; Y558-I571 HydrophobicContact CG-CG2 4.31Å; Y558-L572 CarbonylContact C-O 3.54Å; Y558-L572 WeakPolarHBondContact CA-O 3.23Å; Y558-I582 HydrophobicContact CD1-CD1 4.02Å; Y558-I582 HydrophobicContact CE1-CD1 3.63Å
559Y96.9Very high93.5Very high0 Ų058 Ų580%031%0.305CS..EExtended strand (participates in β ladder)trans-140144.2174.4-59.5-81.4000110.5N235 N557 I571 L572 I574 C627 V631 V632 F635N235-Y559 HydrophobicContact CB-CD1 4.39Å; N235-Y559 HydrophobicContact CB-CE1 3.77Å; N557-Y559 HydrophobicContact CB-CE2 3.89Å; Y559-I571 CarbonylContact O-C 3.56Å; Y559-I571 WeakPolarHBondContact O-CA 3.21Å; Y559-L572 PolarHBondContact N-O 3.04Å; Y559-L572 PolarHBondContact O-N 3.3Å; Y559-I574 HydrophobicContact CD2-CD1 3.81Å; Y559-I574 HydrophobicContact CD2-CG1 4.12Å; Y559-I574 HydrophobicContact CE2-CB 4.5Å; Y559-I574 HydrophobicContact CE2-CD1 3.79Å; Y559-I574 HydrophobicContact CE2-CG1 4.19Å; Y559-C627 VanDerWaalsContact CD1-SG 3.55Å; Y559-V631 HydrophobicContact CE1-CG1 3.82Å; Y559-V632 HydrophobicContact CD1-CG2 4.03Å; Y559-V632 HydrophobicContact CD2-CG2 3.99Å; Y559-V632 HydrophobicContact CE1-CG2 4.47Å; Y559-V632 HydrophobicContact CE2-CG2 4.45Å; Y559-V632 HydrophobicContact CG-CG2 3.78Å; Y559-F635 WeakPolarHBondContact OH-CD2 3.39Å; Y559-F635 WeakPolarHBondContact OH-CE2 3.32Å; Y559-F635 WeakPolarHBondContact OH-CZ 3.24Å
560I96.7Very high93.7Very high15 Ų1555.1 Ų55.18%0.07729%0.291CS..EExtended strand (participates in β ladder)trans-85.2123.2173.1-52.2175.5000108.3V229 A232 E233 D569 M584 V625 S626V229-I560 HydrophobicContact CG1-CD1 3.89Å; A232-I560 HydrophobicContact CB-CG1 3.84Å; E233-I560 HydrophobicContact CG-CD1 4.5Å; I560-D569 HydrophobicContact CG2-CB 3.99Å; I560-M584 HydrophobicContact CB-CE 4.22Å; I560-M584 HydrophobicContact CD1-CE 4.13Å; I560-M584 HydrophobicContact CG1-CE 3.91Å; I560-M584 HydrophobicContact CG2-CE 3.43Å; I560-M584 VanDerWaalsContact CG2-CE 3.43Å; I560-V625 HydrophobicContact CB-CB 4.3Å; I560-V625 HydrophobicContact CG2-CB 3.9Å; I560-V625 HydrophobicContact CG2-CG1 4.28Å; I560-V625 HydrophobicContact CG2-CG2 4.48Å; I560-V625 PolarHBondContact O-N 2.98Å; I560-S626 PolarHBondContact N-OG 3.03Å; I560-S626 PolarHBondContact O-N 2.67Å
561V96.7Very high94Very high0 Ų052.4 Ų52.40%027%0.272CS..EExtended strand (participates in β ladder)trans-133.5158.9-178.8-560000111.3F563 E570 L572 F622 C623V561-F563 HydrophobicContact CG2-CD2 4.03Å; V561-F563 HydrophobicContact CG2-CE2 3.55Å; V561-F563 HydrophobicContact CG2-CZ 3.96Å; V561-E570 PolarHBondContact N-O 3.32Å; V561-E570 PolarHBondContact O-N 2.96Å; V561-E570 VanDerWaalsContact O-O 3.08Å; V561-L572 HydrophobicContact CB-CB 4.42Å; V561-L572 HydrophobicContact CG1-CB 3.78Å; V561-L572 HydrophobicContact CG1-CD2 3.99Å; V561-L572 HydrophobicContact CG2-CB 3.72Å; V561-F622 HydrophobicContact CB-CB 4.31Å; V561-F622 HydrophobicContact CB-CD2 3.94Å; V561-F622 HydrophobicContact CB-CG 4.39Å; V561-F622 HydrophobicContact CG1-CD2 3.76Å; V561-F622 HydrophobicContact CG1-CE2 4.12Å; V561-F622 HydrophobicContact CG2-CB 4.45Å; V561-F622 HydrophobicContact CG2-CD2 4.5Å; V561-C623 CarbonylContact C-O 3.57Å; V561-C623 VanDerWaalsContact CA-O 3.29Å; V561-C623 WeakPolarHBondContact CA-O 3.4Å
562R96.1Very high94.2Very high113 Ų11352.1 Ų52.143%0.42627%0.271SS..EExtended strand (participates in β ladder)trans-116.8110.7168.9-171.8171.7-65.1168.51.6109.7D569 F622 C623 V625R562-D569 IonicContact CZ-OD1 3.01Å; R562-D569 IonicContact NE-OD1 2.67Å; R562-D569 PolarHBondContact NE-OD1 2.73Å; R562-D569 VanDerWaalsContact NH2-CG 3.26Å; R562-D569 IonicContact NH2-OD1 3.74Å; R562-D569 PolarHBondContact NH2-OD1 3.12Å; R562-D569 IonicContact NH2-OD2 2.88Å; R562-D569 PolarHBondContact NH2-OD2 2.9Å; R562-F622 VanDerWaalsContact O-CA 3.28Å; R562-F622 WeakPolarHBondContact O-CA 3.21Å; R562-C623 PolarHBondContact N-O 3.4Å; R562-C623 PolarHBondContact O-N 3.15Å; R562-V625 HydrophobicContact CB-CG2 4.21Å
563F95.8Very high94.6Very high12 Ų1247.1 Ų47.15%0.05324%0.238CC..EExtended strand (participates in β ladder)trans-69143.9176.7-72.4-84.5000111.4V561 G565 S566 E570 L572 R581 W593 F622V561-F563 HydrophobicContact CG2-CD2 4.03Å; V561-F563 HydrophobicContact CG2-CE2 3.55Å; V561-F563 HydrophobicContact CG2-CZ 3.96Å; F563-G565 PolarHBondContact O-N 3.44Å; F563-S566 WeakPolarHBondContact O-CB 3.36Å; F563-S566 PolarHBondContact O-N 2.78Å; F563-E570 HydrophobicContact CD2-CB 4.18Å; F563-E570 HydrophobicContact CE2-CB 4.22Å; F563-L572 HydrophobicContact CZ-CD1 4.12Å; F563-R581 HydrophobicContact CD2-CG 4.29Å; F563-R581 HydrophobicContact CE2-CB 4.14Å; F563-R581 HydrophobicContact CE2-CG 3.58Å; F563-R581 HydrophobicContact CZ-CB 3.94Å; F563-R581 HydrophobicContact CZ-CG 3.87Å; F563-W593 AromaticContact CE1-CH2 3.7Å; F563-W593 HydrophobicContact CE1-CH2 3.7Å; F563-W593 HydrophobicContact CE1-CZ3 4.11Å; F563-W593 AromaticContact CZ-CH2 3.9Å; F563-W593 HydrophobicContact CZ-CH2 3.9Å; F563-W593 HydrophobicContact CZ-CZ3 4.07Å; F563-F622 HydrophobicContact CD1-CB 3.92Å; F563-F622 HydrophobicContact CD1-CD1 4.44Å; F563-F622 HydrophobicContact CE1-CB 4.25Å; F563-F622 HydrophobicContact CE1-CD1 4.09Å; F563-F622 HydrophobicContact CE1-CG 4.45Å; F563-F622 HydrophobicContact CG-CB 4.32Å
564K93.1Very high94.9Very high156 Ų15643.8 Ų43.868%0.67822%0.223SC*.THydrogen-bonded Turntrans-57.5125.8175.5-174175.1-178.7175.50110S566 A621K564-S566 VanDerWaalsContact C-N 3.31Å; K564-A621 HydrophobicContact CB-CB 3.96Å; K564-A621 WeakPolarHBondContact CB-O 3.28Å; K564-A621 HydrophobicContact CD-CB 3.93Å; K564-A621 PolarHBondContact N-O 3.44Å
565G88.3Confident95Very high85 Ų8542.5 Ų42.588%0.87622%0.217SC*.THydrogen-bonded Turntrans86.9-11-175.900000114.8F563F563-G565 PolarHBondContact O-N 3.44Å
566S91Very high95Very high31 Ų3146.9 Ų46.922%0.21723%0.231CC..  trans-87.3140170.3-166.90000110.6F563 K564 K568 E570F563-S566 WeakPolarHBondContact O-CB 3.36Å; F563-S566 PolarHBondContact O-N 2.78Å; K564-S566 VanDerWaalsContact C-N 3.31Å; S566-K568 PolarHBondContact OG-N 2.66Å; S566-K568 PolarHBondContact OG-O 2.94Å; S566-E570 WeakPolarHBondContact CB-OE1 3.32Å; S566-E570 PolarHBondContact OG-OE1 2.91Å
567K89.8Confident94.8Very high202 Ų20247.6 Ų47.688%0.87824%0.236SC*.SBendtrans-94.6-9171.6-68-173.7179.1-178.70112.8
568K94.1Very high94.7Very high153 Ų15348 Ų4867%0.66524%0.236SC*.SBendtrans-107149.1-177.1-65.2-176178.7-177.30109.6S566S566-K568 PolarHBondContact OG-N 2.66Å; S566-K568 PolarHBondContact OG-O 2.94Å
569D95.9Very high94.7Very high52 Ų5247.4 Ų47.428%0.27823%0.234SC..  trans-78.4140.5169.4-62.1-29.3000109.3I560 R562 M584I560-D569 HydrophobicContact CG2-CB 3.99Å; R562-D569 IonicContact CZ-OD1 3.01Å; R562-D569 IonicContact NE-OD1 2.67Å; R562-D569 PolarHBondContact NE-OD1 2.73Å; R562-D569 VanDerWaalsContact NH2-CG 3.26Å; R562-D569 IonicContact NH2-OD1 3.74Å; R562-D569 PolarHBondContact NH2-OD1 3.12Å; R562-D569 IonicContact NH2-OD2 2.88Å; R562-D569 PolarHBondContact NH2-OD2 2.9Å; D569-M584 HydrophobicContact CB-CE 4.22Å; D569-M584 HydrophobicContact CB-SD 4.46Å
570E95.9Very high94.7Very high12 Ų1248 Ų486%0.05624%0.237CC..EExtended strand (participates in β ladder)trans-135.7169-174-65.4178.4-115.300108.9V561 F563 S566 R581V561-E570 PolarHBondContact N-O 3.32Å; V561-E570 PolarHBondContact O-N 2.96Å; V561-E570 VanDerWaalsContact O-O 3.08Å; F563-E570 HydrophobicContact CD2-CB 4.18Å; F563-E570 HydrophobicContact CE2-CB 4.22Å; S566-E570 WeakPolarHBondContact CB-OE1 3.32Å; S566-E570 PolarHBondContact OG-OE1 2.91Å; E570-R581 VanDerWaalsContact CD-NH2 3.26Å; E570-R581 IonicContact OE1-CZ 2.78Å; E570-R581 IonicContact OE1-NE 3.68Å; E570-R581 IonicContact OE1-NH2 3.63Å; E570-R581 PolarHBondContact OE1-NH2 3.39Å; E570-R581 IonicContact OE2-CZ 2.65Å; E570-R581 VanDerWaalsContact OE2-CZ 3.25Å; E570-R581 IonicContact OE2-NE 2.72Å; E570-R581 PolarHBondContact OE2-NE 3Å; E570-R581 IonicContact OE2-NH2 3.25Å; E570-R581 PolarHBondContact OE2-NH2 2.99Å
571I96.9Very high94.7Very high1 Ų150.2 Ų50.21%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-104.2132.8-179.6-62.8-179000109.2L228 Y558 Y559 I582 M584L228-I571 HydrophobicContact CB-CD1 3.55Å; L228-I571 HydrophobicContact CD1-CD1 4.3Å; Y558-I571 HydrophobicContact CD1-CG2 3.77Å; Y558-I571 HydrophobicContact CG-CG2 4.31Å; Y559-I571 CarbonylContact O-C 3.56Å; Y559-I571 WeakPolarHBondContact O-CA 3.21Å; I571-I582 HydrophobicContact CB-CB 4.02Å; I571-I582 HydrophobicContact CB-CG2 4.44Å; I571-I582 HydrophobicContact CG2-CB 4.3Å; I571-I582 HydrophobicContact CG2-CD1 4.35Å; I571-I582 PolarHBondContact N-O 3.49Å; I571-I582 PolarHBondContact O-N 3.17Å; I571-M584 HydrophobicContact CD1-CG 4.33Å; I571-M584 HydrophobicContact CG1-CB 4.23Å; I571-M584 HydrophobicContact CG1-CE 3.93Å; I571-M584 HydrophobicContact CG1-CG 4.32Å
572L97.6Very high94.6Very high0 Ų050.7 Ų50.70%025%0.247CC..EExtended strand (participates in β ladder)trans-105.2111.5169.2-176.568.3000108.6Y558 Y559 V561 F563 I574 M579 I580 W593 F622 V632Y558-L572 CarbonylContact C-O 3.54Å; Y558-L572 WeakPolarHBondContact CA-O 3.23Å; Y559-L572 PolarHBondContact N-O 3.04Å; Y559-L572 PolarHBondContact O-N 3.3Å; V561-L572 HydrophobicContact CB-CB 4.42Å; V561-L572 HydrophobicContact CG1-CB 3.78Å; V561-L572 HydrophobicContact CG1-CD2 3.99Å; V561-L572 HydrophobicContact CG2-CB 3.72Å; F563-L572 HydrophobicContact CZ-CD1 4.12Å; L572-I574 HydrophobicContact CD2-CD1 4.2Å; L572-I574 HydrophobicContact CD2-CG1 4.25Å; L572-I574 HydrophobicContact CG-CG1 4.13Å; L572-M579 HydrophobicContact CD1-CB 4.24Å; L572-M579 HydrophobicContact CD1-CE 4.04Å; L572-M579 HydrophobicContact CD2-CE 3.7Å; L572-M579 HydrophobicContact CG-CE 4.22Å; L572-I580 CarbonylContact C-O 3.59Å; L572-I580 WeakPolarHBondContact CA-O 3.45Å; L572-W593 HydrophobicContact CD1-CZ3 4.44Å; L572-F622 HydrophobicContact CD2-CD2 4.31Å; L572-F622 HydrophobicContact CD2-CE1 4.07Å; L572-F622 HydrophobicContact CD2-CE2 3.65Å; L572-F622 HydrophobicContact CD2-CZ 3.51Å; L572-V632 HydrophobicContact CD2-CG1 4.27Å
573G97Very high94.5Very high0 Ų047.4 Ų47.40%024%0.237CC..EExtended strand (participates in β ladder)trans-86.612816700000110.3N557 M579 I580N557-G573 CarbonylContact O-C 3.59Å; N557-G573 WeakPolarHBondContact O-CA 3.41Å; G573-M579 CarbonylContact O-C 3.57Å; G573-M579 VanDerWaalsContact O-CA 3.26Å; G573-M579 WeakPolarHBondContact O-CA 3.45Å; G573-I580 PolarHBondContact N-O 3.37Å; G573-I580 PolarHBondContact O-N 3.14Å
574I97Very high94.3Very high0 Ų049.7 Ų49.70%025%0.249CC..EExtended strand (participates in β ladder)trans-114.3123.8174.7-53.2179.1000108.1N557 Y559 L572 M579 F595 V632 F635 Y639N557-I574 PolarHBondContact N-O 2.72Å; N557-I574 PolarHBondContact O-N 3.48Å; Y559-I574 HydrophobicContact CD2-CD1 3.81Å; Y559-I574 HydrophobicContact CD2-CG1 4.12Å; Y559-I574 HydrophobicContact CE2-CB 4.5Å; Y559-I574 HydrophobicContact CE2-CD1 3.79Å; Y559-I574 HydrophobicContact CE2-CG1 4.19Å; L572-I574 HydrophobicContact CD2-CD1 4.2Å; L572-I574 HydrophobicContact CD2-CG1 4.25Å; L572-I574 HydrophobicContact CG-CG1 4.13Å; I574-M579 HydrophobicContact CD1-CE 4.31Å; I574-M579 HydrophobicContact CG1-CE 4.3Å; I574-F595 HydrophobicContact CG2-CZ 4.07Å; I574-V632 HydrophobicContact CD1-CB 4.37Å; I574-V632 HydrophobicContact CD1-CG1 3.71Å; I574-V632 HydrophobicContact CD1-CG2 4.27Å; I574-F635 HydrophobicContact CD1-CB 4.33Å; I574-F635 HydrophobicContact CG2-CB 4.46Å; I574-Y639 HydrophobicContact CG2-CD2 4.06Å; I574-Y639 HydrophobicContact CG2-CE2 3.98Å
575S95.4Very high94.2Very high1 Ų147.5 Ų47.51%0.00725%0.253CS..EExtended strand (participates in β ladder)trans-123.8174.2173.8-1700000109.5G555 N577 R578 F595G555-S575 VanDerWaalsContact O-CA 3.23Å; G555-S575 WeakPolarHBondContact O-CA 3.46Å; G555-S575 WeakPolarHBondContact O-CB 3.45Å; G555-S575 PolarHBondContact O-OG 3.36Å; S575-N577 PolarHBondContact O-N 2.9Å; S575-R578 PolarHBondContact N-O 3.06Å; S575-R578 PolarHBondContact O-N 3.21Å; S575-F595 WeakPolarHBondContact O-CE2 3.36Å
576Y92.8Very high94.3Very high100 Ų10046.8 Ų46.839%0.39224%0.235SC..THydrogen-bonded Turntrans-60.3-23.6-171.578.8-83.1000115.7V264 F595 Y639V264-Y576 HydrophobicContact CG2-CD2 4.16Å; V264-Y576 HydrophobicContact CG2-CG 3.79Å; Y576-F595 WeakPolarHBondContact O-CD2 3.43Å; Y576-Y639 VanDerWaalsContact CA-CD1 3.48Å
577N91.6Very high94.1Very high40 Ų4046.7 Ų46.721%0.21424%0.239CC..THydrogen-bonded Turntrans-126.6-0.5-17665.6-2.6000113.8S575 F595S575-N577 PolarHBondContact O-N 2.9Å; N577-F595 PolarHBondContact O-N 3.33Å
578R93.9Very high94.1Very high22 Ų2242.9 Ų42.98%0.08323%0.226CC..EExtended strand (participates in β ladder)trans-159.6157.5-169.873.8-172.1178.2-75.95.2113.4S575 I580 T592 W593S575-R578 PolarHBondContact N-O 3.06Å; S575-R578 PolarHBondContact O-N 3.21Å; R578-I580 HydrophobicContact CG-CD1 4.44Å; R578-I580 HydrophobicContact CG-CG1 4.13Å; R578-T592 HydrophobicContact CB-CG2 4.11Å; R578-T592 HydrophobicContact CG-CG2 4.33Å; R578-W593 CarbonylContact C-O 3.59Å; R578-W593 WeakPolarHBondContact CA-O 3.29Å; R578-W593 VanDerWaalsContact CB-O 3.29Å; R578-W593 WeakPolarHBondContact CB-O 3.5Å
579M96.2Very high94.1Very high0 Ų039.5 Ų39.50%022%0.22CC..EExtended strand (participates in β ladder)trans-116.4141.2167.1-56.3174.784.200109L572 G573 I574 T592 W593 F595 I612 F622 I636L572-M579 HydrophobicContact CD1-CB 4.24Å; L572-M579 HydrophobicContact CD1-CE 4.04Å; L572-M579 HydrophobicContact CD2-CE 3.7Å; L572-M579 HydrophobicContact CG-CE 4.22Å; G573-M579 CarbonylContact O-C 3.57Å; G573-M579 VanDerWaalsContact O-CA 3.26Å; G573-M579 WeakPolarHBondContact O-CA 3.45Å; I574-M579 HydrophobicContact CD1-CE 4.31Å; I574-M579 HydrophobicContact CG1-CE 4.3Å; M579-T592 CarbonylContact O-C 3.56Å; M579-T592 WeakPolarHBondContact O-CA 2.92Å; M579-W593 HydrophobicContact CB-CE3 4.15Å; M579-W593 PolarHBondContact N-O 3.22Å; M579-W593 PolarHBondContact O-N 2.67Å; M579-F595 HydrophobicContact CG-CD1 4.33Å; M579-F595 HydrophobicContact CG-CE1 3.49Å; M579-F595 VanDerWaalsContact CG-CE1 3.49Å; M579-F595 HydrophobicContact CG-CZ 4.12Å; M579-F595 HydrophobicContact SD-CE1 3.82Å; M579-I612 HydrophobicContact CE-CD1 3.64Å; M579-I612 HydrophobicContact SD-CD1 3.46Å; M579-I612 WeakPolarHBondContact SD-CD1 3.37Å; M579-F622 HydrophobicContact CE-CE1 4.18Å; M579-F622 HydrophobicContact CE-CZ 4.06Å; M579-I636 HydrophobicContact CE-CD1 3.89Å; M579-I636 HydrophobicContact CE-CG1 4.29Å; M579-I636 HydrophobicContact SD-CD1 4.38Å
580I96.3Very high93.9Very high13 Ų1340.8 Ų40.87%0.06723%0.229CC..EExtended strand (participates in β ladder)trans-127.3120.3-175.1-46.5172.9000107.8I556 L572 G573 R578 I582 P589 T591 T592I556-I580 HydrophobicContact CD1-CD1 4.04Å; L572-I580 CarbonylContact C-O 3.59Å; L572-I580 WeakPolarHBondContact CA-O 3.45Å; G573-I580 PolarHBondContact N-O 3.37Å; G573-I580 PolarHBondContact O-N 3.14Å; R578-I580 HydrophobicContact CG-CD1 4.44Å; R578-I580 HydrophobicContact CG-CG1 4.13Å; I580-I582 HydrophobicContact CB-CD1 4.5Å; I580-I582 HydrophobicContact CB-CG1 4.31Å; I580-I582 HydrophobicContact CG2-CD1 4.27Å; I580-I582 HydrophobicContact CG2-CG1 3.75Å; I580-P589 HydrophobicContact CG2-CB 3.76Å; I580-T591 CarbonylContact C-O 3.53Å; I580-T591 WeakPolarHBondContact CA-O 3.12Å; I580-T592 HydrophobicContact CG1-CG2 4.33Å
581R96.4Very high93.8Very high62 Ų6242.9 Ų42.923%0.23424%0.243CC..EExtended strand (participates in β ladder)trans-81.2123.3165.8175.9175.9-174179.27108.5F563 E570 V590 T591 W593F563-R581 HydrophobicContact CD2-CG 4.29Å; F563-R581 HydrophobicContact CE2-CB 4.14Å; F563-R581 HydrophobicContact CE2-CG 3.58Å; F563-R581 HydrophobicContact CZ-CB 3.94Å; F563-R581 HydrophobicContact CZ-CG 3.87Å; E570-R581 VanDerWaalsContact CD-NH2 3.26Å; E570-R581 IonicContact OE1-CZ 2.78Å; E570-R581 IonicContact OE1-NE 3.68Å; E570-R581 IonicContact OE1-NH2 3.63Å; E570-R581 PolarHBondContact OE1-NH2 3.39Å; E570-R581 IonicContact OE2-CZ 2.65Å; E570-R581 VanDerWaalsContact OE2-CZ 3.25Å; E570-R581 IonicContact OE2-NE 2.72Å; E570-R581 PolarHBondContact OE2-NE 3Å; E570-R581 IonicContact OE2-NH2 3.25Å; E570-R581 PolarHBondContact OE2-NH2 2.99Å; R581-V590 HydrophobicContact CG-CB 4.19Å; R581-V590 PolarHBondContact O-N 2.9Å; R581-T591 PolarHBondContact N-O 2.62Å; R581-T591 PolarHBondContact O-N 3.31Å; R581-W593 HydrophobicContact CB-CH2 3.5Å; R581-W593 VanDerWaalsContact CB-CH2 3.5Å; R581-W593 HydrophobicContact CB-CZ3 3.54Å; R581-W593 HydrophobicContact CG-CH2 4.32Å
582I95.6Very high93.7Very high10 Ų1045.3 Ų45.35%0.05126%0.258CS..EExtended strand (participates in β ladder)trans-122.2131.6-176.4-59.9170.2000107.5L228 Y558 I571 I580 M584 G587 M588L228-I582 HydrophobicContact CD1-CG2 4.4Å; Y558-I582 HydrophobicContact CD1-CD1 4.02Å; Y558-I582 HydrophobicContact CE1-CD1 3.63Å; I571-I582 HydrophobicContact CB-CB 4.02Å; I571-I582 HydrophobicContact CB-CG2 4.44Å; I571-I582 HydrophobicContact CG2-CB 4.3Å; I571-I582 HydrophobicContact CG2-CD1 4.35Å; I571-I582 PolarHBondContact N-O 3.49Å; I571-I582 PolarHBondContact O-N 3.17Å; I580-I582 HydrophobicContact CB-CD1 4.5Å; I580-I582 HydrophobicContact CB-CG1 4.31Å; I580-I582 HydrophobicContact CG2-CD1 4.27Å; I580-I582 HydrophobicContact CG2-CG1 3.75Å; I582-M584 PolarHBondContact O-N 3.27Å; I582-G587 WeakPolarHBondContact CG2-O 3.35Å; I582-M588 WeakPolarHBondContact CA-O 3.36Å
583D93.4Very high93.6Very high43 Ų4346.8 Ų46.823%0.2326%0.263CS..  trans-71123.517517376.6000109.3S585 S586 G587 M588 V590D583-S585 PolarHBondContact O-N 2.91Å; D583-S585 PolarHBondContact OD2-N 3.22Å; D583-S585 VanDerWaalsContact OD2-N 3.15Å; D583-S585 PolarHBondContact OD2-OG 2.88Å; D583-S586 WeakPolarHBondContact CB-OG 3.48Å; D583-S586 WeakPolarHBondContact OD2-CB 3.47Å; D583-S586 PolarHBondContact OD2-N 3.19Å; D583-S586 PolarHBondContact OD2-OG 3.36Å; D583-G587 WeakPolarHBondContact O-CA 3.36Å; D583-G587 PolarHBondContact O-N 2.99Å; D583-M588 PolarHBondContact N-O 3.11Å; D583-V590 HydrophobicContact CB-CG2 3.79Å
584M92.4Very high93.3Very high60 Ų6047.7 Ų47.730%0.29627%0.267SS..THydrogen-bonded Turntrans-64.8-28.1-173.8-178.3178-81.600112.8V229 I560 D569 I571 I582V229-M584 HydrophobicContact CG2-CE 4.29Å; V229-M584 HydrophobicContact CG2-CG 4.13Å; V229-M584 HydrophobicContact CG2-SD 4.27Å; I560-M584 HydrophobicContact CB-CE 4.22Å; I560-M584 HydrophobicContact CD1-CE 4.13Å; I560-M584 HydrophobicContact CG1-CE 3.91Å; I560-M584 HydrophobicContact CG2-CE 3.43Å; I560-M584 VanDerWaalsContact CG2-CE 3.43Å; D569-M584 HydrophobicContact CB-CE 4.22Å; D569-M584 HydrophobicContact CB-SD 4.46Å; I571-M584 HydrophobicContact CD1-CG 4.33Å; I571-M584 HydrophobicContact CG1-CB 4.23Å; I571-M584 HydrophobicContact CG1-CE 3.93Å; I571-M584 HydrophobicContact CG1-CG 4.32Å; I582-M584 PolarHBondContact O-N 3.27Å
585S90.1Very high93.1Very high110 Ų11048.8 Ų48.877%0.76927%0.271SS*.THydrogen-bonded Turntrans-82.4-36.8-176.568.60000113.7D583D583-S585 PolarHBondContact O-N 2.91Å; D583-S585 PolarHBondContact OD2-N 3.22Å; D583-S585 VanDerWaalsContact OD2-N 3.15Å; D583-S585 PolarHBondContact OD2-OG 2.88Å
586S90.3Very high92.8Very high71 Ų7152.8 Ų52.850%0.49731%0.305SS..THydrogen-bonded Turntrans-98.2-19.3-178.559.40000113.4D583 M588D583-S586 WeakPolarHBondContact CB-OG 3.48Å; D583-S586 WeakPolarHBondContact OD2-CB 3.47Å; D583-S586 PolarHBondContact OD2-N 3.19Å; D583-S586 PolarHBondContact OD2-OG 3.36Å; S586-M588 PolarHBondContact O-N 3.44Å; S586-M588 PolarHBondContact OG-N 2.95Å
587G88.5Confident92.9Very high29 Ų2951.3 Ų51.330%0.29930%0.304SS..  trans69.58-172.800000113.7I582 D583I582-G587 WeakPolarHBondContact CG2-O 3.35Å; D583-G587 WeakPolarHBondContact O-CA 3.36Å; D583-G587 PolarHBondContact O-N 2.99Å
588M89.6Confident93Very high121 Ų12150.8 Ų50.860%0.59630%0.3SS*.  trans-92.1142.1-175-64.5-60.6-67.100111.8I582 D583 S586 V590I582-M588 WeakPolarHBondContact CA-O 3.36Å; D583-M588 PolarHBondContact N-O 3.11Å; S586-M588 PolarHBondContact O-N 3.44Å; S586-M588 PolarHBondContact OG-N 2.95Å; M588-V590 PolarHBondContact O-N 3.31Å
589P92.8Very high93Very high83 Ų8355.4 Ų55.454%0.53932%0.321SS..EExtended strand (participates in β ladder)trans-66.9130.2175.228-34.1000110.9I580I580-P589 HydrophobicContact CG2-CB 3.76Å
590V93.1Very high92.8Very high79 Ų7960.6 Ų60.648%0.47935%0.345SS..EExtended strand (participates in β ladder)trans-98.8-46.8179.7-178.50000110.8R581 D583 M588R581-V590 HydrophobicContact CG-CB 4.19Å; R581-V590 PolarHBondContact O-N 2.9Å; D583-V590 HydrophobicContact CB-CG2 3.79Å; M588-V590 PolarHBondContact O-N 3.31Å
591T93.6Very high92.7Very high55 Ų5562.5 Ų62.534%0.33735%0.351SS..EExtended strand (participates in β ladder)trans-150.6145.4-176.5-51.30000109.9I580 R581 W593I580-T591 CarbonylContact C-O 3.53Å; I580-T591 WeakPolarHBondContact CA-O 3.12Å; R581-T591 PolarHBondContact N-O 2.62Å; R581-T591 PolarHBondContact O-N 3.31Å; T591-W593 HydrophobicContact CG2-CD2 4.42Å; T591-W593 HydrophobicContact CG2-CH2 4.45Å; T591-W593 HydrophobicContact CG2-CZ2 3.76Å
592T95Very high92.5Very high53 Ų5364.4 Ų64.433%0.32537%0.367SS..EExtended strand (participates in β ladder)trans-127.1129.5179.7-59.90000109.7R578 M579 I580R578-T592 HydrophobicContact CB-CG2 4.11Å; R578-T592 HydrophobicContact CG-CG2 4.33Å; M579-T592 CarbonylContact O-C 3.56Å; M579-T592 WeakPolarHBondContact O-CA 2.92Å; I580-T592 HydrophobicContact CG1-CG2 4.33Å
593W95.2Very high92.4Very high30 Ų3064.6 Ų64.611%0.11437%0.368CS..EExtended strand (participates in β ladder)trans-112.3138.7174.3-54.9-84.2000109.9F563 L572 R578 M579 R581 T591 F614 I620F563-W593 AromaticContact CE1-CH2 3.7Å; F563-W593 HydrophobicContact CE1-CH2 3.7Å; F563-W593 HydrophobicContact CE1-CZ3 4.11Å; F563-W593 AromaticContact CZ-CH2 3.9Å; F563-W593 HydrophobicContact CZ-CH2 3.9Å; F563-W593 HydrophobicContact CZ-CZ3 4.07Å; L572-W593 HydrophobicContact CD1-CZ3 4.44Å; R578-W593 CarbonylContact C-O 3.59Å; R578-W593 WeakPolarHBondContact CA-O 3.29Å; R578-W593 VanDerWaalsContact CB-O 3.29Å; R578-W593 WeakPolarHBondContact CB-O 3.5Å; M579-W593 HydrophobicContact CB-CE3 4.15Å; M579-W593 PolarHBondContact N-O 3.22Å; M579-W593 PolarHBondContact O-N 2.67Å; R581-W593 HydrophobicContact CB-CH2 3.5Å; R581-W593 VanDerWaalsContact CB-CH2 3.5Å; R581-W593 HydrophobicContact CB-CZ3 3.54Å; R581-W593 HydrophobicContact CG-CH2 4.32Å; T591-W593 HydrophobicContact CG2-CD2 4.42Å; T591-W593 HydrophobicContact CG2-CH2 4.45Å; T591-W593 HydrophobicContact CG2-CZ2 3.76Å; W593-F614 HydrophobicContact CB-CD1 4.42Å; W593-F614 HydrophobicContact CB-CE1 3.7Å; W593-F614 HydrophobicContact CB-CE2 3.99Å; W593-F614 HydrophobicContact CB-CZ 3.45Å; W593-F614 VanDerWaalsContact CB-CZ 3.45Å; W593-F614 HydrophobicContact CG-CE2 4.02Å; W593-F614 AromaticContact CG-CZ 3.98Å; W593-F614 HydrophobicContact CG-CZ 3.98Å; W593-I620 HydrophobicContact CD2-CD1 3.97Å; W593-I620 HydrophobicContact CD2-CG2 4.42Å; W593-I620 HydrophobicContact CE3-CD1 4.04Å; W593-I620 HydrophobicContact CG-CD1 4.41Å; W593-I620 HydrophobicContact CH2-CD1 4.41Å; W593-I620 HydrophobicContact CZ2-CD1 4.42Å; W593-I620 HydrophobicContact CZ2-CG2 3.71Å; W593-I620 HydrophobicContact CZ3-CD1 4.25Å
594R90.4Very high92.3Very high19 Ų1965.3 Ų65.37%0.07237%0.372CS..EExtended strand (participates in β ladder)trans-101.9137.3-177.5-63.5-71.6177.7175.1-7.4109.9E412 A596 N597 F614E412-R594 IonicContact OE2-CZ 3.4Å; E412-R594 IonicContact OE2-NH1 2.73Å; E412-R594 IonicContact OE2-NH2 3.46Å; E412-R594 PolarHBondContact OE2-NH2 3.2Å; R594-A596 PolarHBondContact O-N 3.35Å; R594-N597 PolarHBondContact O-N 3.08Å; R594-N597 VanDerWaalsContact O-N 3.15Å; R594-F614 WeakPolarHBondContact O-CE1 3.31Å
595F92Very high92.1Very high23 Ų2366.9 Ų66.910%0.10138%0.375CS..G310 helixtrans-62.6-28.8175.2-73-16.8000112.8I574 S575 Y576 N577 M579 N597 M598 I636 Y639I574-F595 HydrophobicContact CG2-CZ 4.07Å; S575-F595 WeakPolarHBondContact O-CE2 3.36Å; Y576-F595 WeakPolarHBondContact O-CD2 3.43Å; N577-F595 PolarHBondContact O-N 3.33Å; M579-F595 HydrophobicContact CG-CD1 4.33Å; M579-F595 HydrophobicContact CG-CE1 3.49Å; M579-F595 VanDerWaalsContact CG-CE1 3.49Å; M579-F595 HydrophobicContact CG-CZ 4.12Å; M579-F595 HydrophobicContact SD-CE1 3.82Å; F595-N597 PolarHBondContact O-N 3.34Å; F595-N597 VanDerWaalsContact O-N 3.14Å; F595-M598 HydrophobicContact CD1-CE 4.16Å; F595-M598 HydrophobicContact CD1-SD 4.3Å; F595-M598 VanDerWaalsContact O-CB 3.26Å; F595-M598 WeakPolarHBondContact O-CB 3.19Å; F595-M598 PolarHBondContact O-N 2.63Å; F595-I636 HydrophobicContact CE1-CG1 4.45Å; F595-I636 HydrophobicContact CE1-CG2 4.44Å; F595-I636 HydrophobicContact CZ-CG1 4.33Å; F595-Y639 HydrophobicContact CE2-CD2 4.18Å; F595-Y639 HydrophobicContact CE2-CG 4.34Å
596A90.6Very high92Very high85 Ų8570.2 Ų70.270%0.70238%0.378SS*.G310 helixtrans-59.4-25.3175.900000113.9R594R594-A596 PolarHBondContact O-N 3.35Å
597N93Very high91.9Very high70 Ų7071.3 Ų71.337%0.37438%0.377SS..G310 helixtrans-991.8179-60.72000111.7R594 F595 F614 D615R594-N597 PolarHBondContact O-N 3.08Å; R594-N597 VanDerWaalsContact O-N 3.15Å; F595-N597 PolarHBondContact O-N 3.34Å; F595-N597 VanDerWaalsContact O-N 3.14Å; N597-F614 HydrophobicContact CB-CD1 4.34Å; N597-F614 CarbonylContact O-C 3.55Å; N597-F614 WeakPolarHBondContact O-CA 3.43Å; N597-F614 WeakPolarHBondContact O-CB 3.08Å; N597-D615 HydrophobicContact CB-CB 4.29Å; N597-D615 PolarHBondContact O-N 2.87Å
598M93.7Very high92Very high28 Ų2877.3 Ų77.314%0.13839%0.391CS..EExtended strand (participates in β ladder)trans-80.7127.8-177.8-175.2171.466.100109.4F595 W601 I612 F614 I636 I640F595-M598 HydrophobicContact CD1-CE 4.16Å; F595-M598 HydrophobicContact CD1-SD 4.3Å; F595-M598 VanDerWaalsContact O-CB 3.26Å; F595-M598 WeakPolarHBondContact O-CB 3.19Å; F595-M598 PolarHBondContact O-N 2.63Å; M598-W601 HydrophobicContact CE-CE3 4.01Å; M598-W601 HydrophobicContact CE-CZ3 4.24Å; M598-W601 HydrophobicContact SD-CE3 4.3Å; M598-I612 HydrophobicContact CG-CG2 3.66Å; M598-I612 HydrophobicContact SD-CG2 3.54Å; M598-I612 VanDerWaalsContact SD-CG2 3.54Å; M598-F614 HydrophobicContact CB-CD1 3.98Å; M598-F614 HydrophobicContact CB-CE1 3.89Å; M598-F614 HydrophobicContact CG-CE1 4.31Å; M598-I636 HydrophobicContact CE-CG2 3.8Å; M598-I636 HydrophobicContact SD-CG2 4.08Å; M598-I640 HydrophobicContact CE-CD1 3.29Å; M598-I640 HydrophobicContact CE-CG1 4Å
599K93.8Very high92.2Very high120 Ų12073 Ų7352%0.52237%0.37SS..EExtended strand (participates in β ladder)trans-90.4-49.1176.9-65.3-175.9177.8178.40111.4E613 D615K599-E613 PolarHBondContact N-O 2.96Å; K599-D615 WeakPolarHBondContact CE-OD1 3.37Å; K599-D615 IonicContact NZ-OD1 2.98Å
600Q92.7Very high92.3Very high108 Ų10869.1 Ų69.151%0.50534%0.344SS..EExtended strand (participates in β ladder)trans-161.2160.5-177.559-179.22.400110.5E613Q600-E613 HydrophobicContact CG-CB 4.09Å; Q600-E613 HydrophobicContact CG-CG 4.34Å; Q600-E613 VanDerWaalsContact NE2-CD 3.33Å; Q600-E613 PolarHBondContact NE2-OE2 3.34Å; Q600-E613 PolarHBondContact O-N 2.9Å
601W94.3Very high92.5Very high53 Ų5366.9 Ų66.920%0.20133%0.33CS..EExtended strand (participates in β ladder)trans-132.1147.416671.6107.2000109.6M598 T611 I612 H633 I636 I640 L661M598-W601 HydrophobicContact CE-CE3 4.01Å; M598-W601 HydrophobicContact CE-CZ3 4.24Å; M598-W601 HydrophobicContact SD-CE3 4.3Å; W601-T611 CarbonylContact C-O 3.53Å; W601-T611 VanDerWaalsContact CA-O 3.27Å; W601-T611 WeakPolarHBondContact CA-O 3.22Å; W601-I612 HydrophobicContact CB-CB 4.34Å; W601-I612 HydrophobicContact CB-CG1 3.87Å; W601-I612 HydrophobicContact CB-CG2 4.26Å; W601-H633 AromaticContact CD1-ND1 3.6Å; W601-H633 AromaticContact NE1-CE1 3.35Å; W601-H633 PolarHBondContact NE1-CE1 2.96Å; W601-H633 VanDerWaalsContact NE1-CE1 3.35Å; W601-H633 AromaticContact NE1-CG 3.96Å; W601-H633 AromaticContact NE1-ND1 2.94Å; W601-H633 PolarHBondContact NE1-ND1 2.94Å; W601-I636 HydrophobicContact CD2-CG2 3.97Å; W601-I636 HydrophobicContact CE3-CG2 4.19Å; W601-I636 HydrophobicContact CG-CG2 4.37Å; W601-I636 HydrophobicContact CZ2-CG2 4.41Å; W601-I640 HydrophobicContact CE3-CD1 4.08Å; W601-I640 HydrophobicContact CH2-CD1 3.47Å; W601-I640 VanDerWaalsContact CH2-CD1 3.47Å; W601-I640 HydrophobicContact CZ2-CD1 4.42Å; W601-I640 HydrophobicContact CZ3-CD1 3.25Å; W601-L661 HydrophobicContact CH2-CD2 3.89Å; W601-L661 WeakPolarHBondContact CZ2-O 3.3Å
602N92.9Very high92.6Very high103 Ų10364.2 Ų64.255%0.55131%0.314SS*.EExtended strand (participates in β ladder)trans-128.8140.6177.1-178.673000109.2T611N602-T611 PolarHBondContact N-O 3.11Å; N602-T611 PolarHBondContact O-N 2.99Å
603V92.8Very high92.7Very high13 Ų1365.4 Ų65.48%0.07932%0.316CS..EExtended strand (participates in β ladder)trans-111.8121173.5-170.40000108W605 Q609 V610 C629 H633V603-W605 HydrophobicContact CB-CD2 4.31Å; V603-W605 HydrophobicContact CB-CE3 4.5Å; V603-W605 HydrophobicContact CB-CH2 4.05Å; V603-W605 HydrophobicContact CB-CZ2 3.85Å; V603-W605 HydrophobicContact CB-CZ3 4.38Å; V603-W605 HydrophobicContact CG1-CD2 3.8Å; V603-W605 HydrophobicContact CG1-CE3 3.61Å; V603-W605 HydrophobicContact CG1-CH2 3.75Å; V603-W605 HydrophobicContact CG1-CZ2 3.95Å; V603-W605 HydrophobicContact CG1-CZ3 3.59Å; V603-W605 HydrophobicContact CG2-CH2 4.27Å; V603-W605 HydrophobicContact CG2-CZ2 4.3Å; V603-Q609 WeakPolarHBondContact CA-O 3.45Å; V603-V610 HydrophobicContact CG1-CG2 4.39Å; V603-V610 HydrophobicContact CG2-CG2 4.29Å; V603-C629 HydrophobicContact CG1-CB 4.17Å; V603-H633 HydrophobicContact CG2-CB 3.9Å; V603-H633 WeakPolarHBondContact CG2-ND1 3.42Å
604N91.6Very high92.7Very high59 Ų5964.4 Ų64.432%0.31631%0.312SS..EExtended strand (participates in β ladder)trans-90.3105.1166.8-175.6-35.8000108E606 I607 R608 Q609N604-E606 VanDerWaalsContact C-N 3.34Å; N604-E606 WeakPolarHBondContact OD1-CB 3.4Å; N604-E606 PolarHBondContact OD1-N 3.49Å; N604-I607 HydrophobicContact CB-CD1 4.28Å; N604-I607 HydrophobicContact CB-CG1 3.81Å; N604-I607 PolarHBondContact OD1-N 3.02Å; N604-R608 VanDerWaalsContact O-CA 3.27Å; N604-R608 WeakPolarHBondContact O-CA 3.45Å; N604-R608 PolarHBondContact O-N 3.3Å; N604-Q609 PolarHBondContact N-O 3.21Å; N604-Q609 PolarHBondContact O-N 3.09Å
605W88Confident92.7Very high93 Ų9366.7 Ų66.735%0.35233%0.326SS..THydrogen-bonded Turntrans-69-29.3-177.3-56.2114.9000113.2V603 K630V603-W605 HydrophobicContact CB-CD2 4.31Å; V603-W605 HydrophobicContact CB-CE3 4.5Å; V603-W605 HydrophobicContact CB-CH2 4.05Å; V603-W605 HydrophobicContact CB-CZ2 3.85Å; V603-W605 HydrophobicContact CB-CZ3 4.38Å; V603-W605 HydrophobicContact CG1-CD2 3.8Å; V603-W605 HydrophobicContact CG1-CE3 3.61Å; V603-W605 HydrophobicContact CG1-CH2 3.75Å; V603-W605 HydrophobicContact CG1-CZ2 3.95Å; V603-W605 HydrophobicContact CG1-CZ3 3.59Å; V603-W605 HydrophobicContact CG2-CH2 4.27Å; V603-W605 HydrophobicContact CG2-CZ2 4.3Å; W605-K630 HydrophobicContact CH2-CB 4.2Å; W605-K630 HydrophobicContact CH2-CD 3.62Å; W605-K630 HydrophobicContact CZ2-CD 4.49Å; W605-K630 HydrophobicContact CZ3-CB 3.92Å; W605-K630 HydrophobicContact CZ3-CD 4.15Å
606E87.4Confident92.6Very high179 Ų17972 Ų7284%0.83635%0.352SS*.THydrogen-bonded Turntrans-66.1-45.8179.7-61.1-176.4164.700111.6N604N604-E606 VanDerWaalsContact C-N 3.34Å; N604-E606 WeakPolarHBondContact OD1-CB 3.4Å; N604-E606 PolarHBondContact OD1-N 3.49Å
607I88.4Confident92.4Very high95 Ų9575 Ų7549%0.48736%0.356SS..THydrogen-bonded Turntrans-98.13179.267.4170.6000113.2N604 Q609N604-I607 HydrophobicContact CB-CD1 4.28Å; N604-I607 HydrophobicContact CB-CG1 3.81Å; N604-I607 PolarHBondContact OD1-N 3.02Å; I607-Q609 HydrophobicContact CD1-CB 3.72Å; I607-Q609 HydrophobicContact CD1-CG 4.44Å; I607-Q609 HydrophobicContact CG1-CB 3.7Å; I607-Q609 PolarHBondContact O-N 3.46Å
608R90.6Very high92.4Very high154 Ų15474.7 Ų74.758%0.58136%0.356SS*.THydrogen-bonded Turntrans47.656.4-176.8-57.4-178.8-179.4-163.2-3.9111.9N604 C623 C629N604-R608 VanDerWaalsContact O-CA 3.27Å; N604-R608 WeakPolarHBondContact O-CA 3.45Å; N604-R608 PolarHBondContact O-N 3.3Å; R608-C623 WeakPolarHBondContact O-CA 3.47Å; R608-C623 WeakPolarHBondContact O-CB 3.29Å; R608-C623 PolarHBondContact O-SG 3.01Å; R608-C629 PolarHBondContact O-SG 3.32Å
609Q93.9Very high92.4Very high32 Ų3277.3 Ų77.315%0.1537%0.374CS..EExtended strand (participates in β ladder)trans-124.9127.9-178.4-177.1167.498.900110.6V603 N604 I607 A621 F622V603-Q609 WeakPolarHBondContact CA-O 3.45Å; N604-Q609 PolarHBondContact N-O 3.21Å; N604-Q609 PolarHBondContact O-N 3.09Å; I607-Q609 HydrophobicContact CD1-CB 3.72Å; I607-Q609 HydrophobicContact CD1-CG 4.44Å; I607-Q609 HydrophobicContact CG1-CB 3.7Å; I607-Q609 PolarHBondContact O-N 3.46Å; Q609-A621 HydrophobicContact CG-CB 4.28Å; Q609-F622 WeakPolarHBondContact CA-O 3.25Å
610V96.1Very high92.5Very high0 Ų072.3 Ų72.30%035%0.352CS..EExtended strand (participates in β ladder)trans-93.3128.5169.7-174.40000107.9V603 I612 A621 F622 C629V603-V610 HydrophobicContact CG1-CG2 4.39Å; V603-V610 HydrophobicContact CG2-CG2 4.29Å; V610-I612 HydrophobicContact CG1-CD1 4.28Å; V610-I612 HydrophobicContact CG1-CG1 3.98Å; V610-A621 CarbonylContact O-C 3.48Å; V610-A621 VanDerWaalsContact O-CA 3.25Å; V610-A621 WeakPolarHBondContact O-CA 3.31Å; V610-F622 HydrophobicContact CB-CD2 4.38Å; V610-F622 HydrophobicContact CB-CE1 4.23Å; V610-F622 HydrophobicContact CB-CE2 3.83Å; V610-F622 HydrophobicContact CB-CZ 3.74Å; V610-F622 HydrophobicContact CG1-CE1 4.29Å; V610-F622 HydrophobicContact CG1-CE2 4.44Å; V610-F622 HydrophobicContact CG1-CZ 3.88Å; V610-F622 HydrophobicContact CG2-CE2 4.05Å; V610-F622 HydrophobicContact CG2-CZ 4.31Å; V610-F622 PolarHBondContact N-O 3.13Å; V610-F622 PolarHBondContact O-N 3.04Å; V610-C629 HydrophobicContact CG2-CB 3.91Å
611T96.3Very high92.7Very high32 Ų3267.8 Ų67.820%0.19633%0.333CS..EExtended strand (participates in β ladder)trans-119.1130.4173.1-57.50000108.8W601 N602 V619 I620 A621W601-T611 CarbonylContact C-O 3.53Å; W601-T611 VanDerWaalsContact CA-O 3.27Å; W601-T611 WeakPolarHBondContact CA-O 3.22Å; N602-T611 PolarHBondContact N-O 3.11Å; N602-T611 PolarHBondContact O-N 2.99Å; T611-V619 HydrophobicContact CG2-CG1 3.68Å; T611-I620 CarbonylContact C-O 3.58Å; T611-I620 VanDerWaalsContact CA-O 3.31Å; T611-I620 WeakPolarHBondContact CA-O 3.36Å; T611-A621 HydrophobicContact CG2-CB 4.38Å
612I96.4Very high92.8Very high0 Ų065.3 Ų65.30%032%0.324CS..EExtended strand (participates in β ladder)trans-125.9128.9-178-48.2-179.1000108.7M579 M598 W601 V610 F614 V619 I620 F622 I636M579-I612 HydrophobicContact CE-CD1 3.64Å; M579-I612 HydrophobicContact SD-CD1 3.46Å; M579-I612 WeakPolarHBondContact SD-CD1 3.37Å; M598-I612 HydrophobicContact CG-CG2 3.66Å; M598-I612 HydrophobicContact SD-CG2 3.54Å; M598-I612 VanDerWaalsContact SD-CG2 3.54Å; W601-I612 HydrophobicContact CB-CB 4.34Å; W601-I612 HydrophobicContact CB-CG1 3.87Å; W601-I612 HydrophobicContact CB-CG2 4.26Å; V610-I612 HydrophobicContact CG1-CD1 4.28Å; V610-I612 HydrophobicContact CG1-CG1 3.98Å; I612-F614 HydrophobicContact CB-CE2 3.91Å; I612-F614 HydrophobicContact CB-CZ 4.28Å; I612-F614 HydrophobicContact CG2-CD2 4.19Å; I612-F614 HydrophobicContact CG2-CE1 4.22Å; I612-F614 HydrophobicContact CG2-CE2 3.53Å; I612-F614 HydrophobicContact CG2-CZ 3.54Å; I612-V619 WeakPolarHBondContact O-CA 3.5Å; I612-I620 HydrophobicContact CB-CD1 4.32Å; I612-I620 HydrophobicContact CB-CG1 3.85Å; I612-I620 HydrophobicContact CD1-CD1 4.28Å; I612-I620 HydrophobicContact CG1-CG1 4.32Å; I612-I620 PolarHBondContact N-O 3.19Å; I612-I620 PolarHBondContact O-N 3.04Å; I612-F622 HydrophobicContact CD1-CE1 4.07Å; I612-F622 HydrophobicContact CD1-CZ 4.44Å; I612-I636 HydrophobicContact CD1-CD1 3.71Å
613E96.3Very high92.9Very high77 Ų7762.2 Ų62.236%0.3631%0.31SS..EExtended strand (participates in β ladder)trans-104126.5177.2-62.1-175.2179.700109.9K599 Q600 V619K599-E613 PolarHBondContact N-O 2.96Å; Q600-E613 HydrophobicContact CG-CB 4.09Å; Q600-E613 HydrophobicContact CG-CG 4.34Å; Q600-E613 VanDerWaalsContact NE2-CD 3.33Å; Q600-E613 PolarHBondContact NE2-OE2 3.34Å; Q600-E613 PolarHBondContact O-N 2.9Å; E613-V619 HydrophobicContact CG-CG1 4.34Å; E613-V619 HydrophobicContact CG-CG2 4.11Å
614F94.7Very high93Very high9 Ų962.6 Ų62.64%0.03931%0.313CS..EExtended strand (participates in β ladder)trans-110.2171.7174.7-60.9-90.3000110.8W593 R594 N597 M598 I612 V618 I620W593-F614 HydrophobicContact CB-CD1 4.42Å; W593-F614 HydrophobicContact CB-CE1 3.7Å; W593-F614 HydrophobicContact CB-CE2 3.99Å; W593-F614 HydrophobicContact CB-CZ 3.45Å; W593-F614 VanDerWaalsContact CB-CZ 3.45Å; W593-F614 HydrophobicContact CG-CE2 4.02Å; W593-F614 AromaticContact CG-CZ 3.98Å; W593-F614 HydrophobicContact CG-CZ 3.98Å; R594-F614 WeakPolarHBondContact O-CE1 3.31Å; N597-F614 HydrophobicContact CB-CD1 4.34Å; N597-F614 CarbonylContact O-C 3.55Å; N597-F614 WeakPolarHBondContact O-CA 3.43Å; N597-F614 WeakPolarHBondContact O-CB 3.08Å; M598-F614 HydrophobicContact CB-CD1 3.98Å; M598-F614 HydrophobicContact CB-CE1 3.89Å; M598-F614 HydrophobicContact CG-CE1 4.31Å; I612-F614 HydrophobicContact CB-CE2 3.91Å; I612-F614 HydrophobicContact CB-CZ 4.28Å; I612-F614 HydrophobicContact CG2-CD2 4.19Å; I612-F614 HydrophobicContact CG2-CE1 4.22Å; I612-F614 HydrophobicContact CG2-CE2 3.53Å; I612-F614 HydrophobicContact CG2-CZ 3.54Å; F614-V618 HydrophobicContact CB-CB 4.16Å; F614-V618 HydrophobicContact CD2-CG1 4.4Å; F614-V618 PolarHBondContact N-O 3.42Å; F614-I620 HydrophobicContact CE2-CD1 3.67Å; F614-I620 HydrophobicContact CE2-CG1 3.86Å; F614-I620 HydrophobicContact CE2-CG2 4.45Å; F614-I620 HydrophobicContact CZ-CD1 4.19Å
615D91.6Very high93Very high68 Ų6863.3 Ų63.336%0.36432%0.32SS..G310 helixtrans-54.6161.9167.4-71.5-33.7000112.7N597 K599 N617 V618N597-D615 HydrophobicContact CB-CB 4.29Å; N597-D615 PolarHBondContact O-N 2.87Å; K599-D615 WeakPolarHBondContact CE-OD1 3.37Å; K599-D615 IonicContact NZ-OD1 2.98Å; D615-N617 PolarHBondContact O-N 2.97Å; D615-V618 PolarHBondContact O-N 2.75Å
616Q89.1Confident93.1Very high135 Ų13560.3 Ų60.363%0.63131%0.312SS*.G310 helixtrans60.626.8-179.5-51.9176.9-0.300113.8V618Q616-V618 PolarHBondContact O-N 2.84Å
617N87.1Confident93.2Very high148 Ų14852.7 Ų52.779%0.79128%0.279SS*.G310 helixtrans6026.1179.6-56.7-30.8000113.7D615 V619D615-N617 PolarHBondContact O-N 2.97Å; N617-V619 PolarHBondContact O-N 3.2Å
618V92.4Very high93.3Very high62 Ų6251.6 Ų51.638%0.37627%0.274SS..  trans-79.2119.3173.1176.20000108.7F614 D615 Q616F614-V618 HydrophobicContact CB-CB 4.16Å; F614-V618 HydrophobicContact CD2-CG1 4.4Å; F614-V618 PolarHBondContact N-O 3.42Å; D615-V618 PolarHBondContact O-N 2.75Å; Q616-V618 PolarHBondContact O-N 2.84Å
619V94.4Very high93.4Very high84 Ų8444.4 Ų44.451%0.50925%0.247SC..EExtended strand (participates in β ladder)trans-122129.3177.2-175.80000109.3T611 I612 E613 N617T611-V619 HydrophobicContact CG2-CG1 3.68Å; I612-V619 WeakPolarHBondContact O-CA 3.5Å; E613-V619 HydrophobicContact CG-CG1 4.34Å; E613-V619 HydrophobicContact CG-CG2 4.11Å; N617-V619 PolarHBondContact O-N 3.2Å
620I95.4Very high93.3Very high15 Ų1544 Ų448%0.07725%0.245CC..EExtended strand (participates in β ladder)trans-116145.3172.671.3178.6000109.7W593 T611 I612 F614 F622W593-I620 HydrophobicContact CD2-CD1 3.97Å; W593-I620 HydrophobicContact CD2-CG2 4.42Å; W593-I620 HydrophobicContact CE3-CD1 4.04Å; W593-I620 HydrophobicContact CG-CD1 4.41Å; W593-I620 HydrophobicContact CH2-CD1 4.41Å; W593-I620 HydrophobicContact CZ2-CD1 4.42Å; W593-I620 HydrophobicContact CZ2-CG2 3.71Å; W593-I620 HydrophobicContact CZ3-CD1 4.25Å; T611-I620 CarbonylContact C-O 3.58Å; T611-I620 VanDerWaalsContact CA-O 3.31Å; T611-I620 WeakPolarHBondContact CA-O 3.36Å; I612-I620 HydrophobicContact CB-CD1 4.32Å; I612-I620 HydrophobicContact CB-CG1 3.85Å; I612-I620 HydrophobicContact CD1-CD1 4.28Å; I612-I620 HydrophobicContact CG1-CG1 4.32Å; I612-I620 PolarHBondContact N-O 3.19Å; I612-I620 PolarHBondContact O-N 3.04Å; F614-I620 HydrophobicContact CE2-CD1 3.67Å; F614-I620 HydrophobicContact CE2-CG1 3.86Å; F614-I620 HydrophobicContact CE2-CG2 4.45Å; F614-I620 HydrophobicContact CZ-CD1 4.19Å; I620-F622 HydrophobicContact CD1-CE1 4.4Å
621A96.3Very high93.2Very high13 Ų1344.7 Ų44.711%0.10725%0.249CC..EExtended strand (participates in β ladder)trans-139.4138.8173.600000109.9K564 Q609 V610 T611K564-A621 HydrophobicContact CB-CB 3.96Å; K564-A621 WeakPolarHBondContact CB-O 3.28Å; K564-A621 HydrophobicContact CD-CB 3.93Å; K564-A621 PolarHBondContact N-O 3.44Å; Q609-A621 HydrophobicContact CG-CB 4.28Å; V610-A621 CarbonylContact O-C 3.48Å; V610-A621 VanDerWaalsContact O-CA 3.25Å; V610-A621 WeakPolarHBondContact O-CA 3.31Å; T611-A621 HydrophobicContact CG2-CB 4.38Å
622F96.5Very high93.1Very high0 Ų043.1 Ų43.10%024%0.24CC..EExtended strand (participates in β ladder)trans-152.4155179.359.6-92.5000111.6V561 R562 F563 L572 M579 Q609 V610 I612 I620 V632V561-F622 HydrophobicContact CB-CB 4.31Å; V561-F622 HydrophobicContact CB-CD2 3.94Å; V561-F622 HydrophobicContact CB-CG 4.39Å; V561-F622 HydrophobicContact CG1-CD2 3.76Å; V561-F622 HydrophobicContact CG1-CE2 4.12Å; V561-F622 HydrophobicContact CG2-CB 4.45Å; V561-F622 HydrophobicContact CG2-CD2 4.5Å; R562-F622 VanDerWaalsContact O-CA 3.28Å; R562-F622 WeakPolarHBondContact O-CA 3.21Å; F563-F622 HydrophobicContact CD1-CB 3.92Å; F563-F622 HydrophobicContact CD1-CD1 4.44Å; F563-F622 HydrophobicContact CE1-CB 4.25Å; F563-F622 HydrophobicContact CE1-CD1 4.09Å; F563-F622 HydrophobicContact CE1-CG 4.45Å; F563-F622 HydrophobicContact CG-CB 4.32Å; L572-F622 HydrophobicContact CD2-CD2 4.31Å; L572-F622 HydrophobicContact CD2-CE1 4.07Å; L572-F622 HydrophobicContact CD2-CE2 3.65Å; L572-F622 HydrophobicContact CD2-CZ 3.51Å; M579-F622 HydrophobicContact CE-CE1 4.18Å; M579-F622 HydrophobicContact CE-CZ 4.06Å; Q609-F622 WeakPolarHBondContact CA-O 3.25Å; V610-F622 HydrophobicContact CB-CD2 4.38Å; V610-F622 HydrophobicContact CB-CE1 4.23Å; V610-F622 HydrophobicContact CB-CE2 3.83Å; V610-F622 HydrophobicContact CB-CZ 3.74Å; V610-F622 HydrophobicContact CG1-CE1 4.29Å; V610-F622 HydrophobicContact CG1-CE2 4.44Å; V610-F622 HydrophobicContact CG1-CZ 3.88Å; V610-F622 HydrophobicContact CG2-CE2 4.05Å; V610-F622 HydrophobicContact CG2-CZ 4.31Å; V610-F622 PolarHBondContact N-O 3.13Å; V610-F622 PolarHBondContact O-N 3.04Å; I612-F622 HydrophobicContact CD1-CE1 4.07Å; I612-F622 HydrophobicContact CD1-CZ 4.44Å; I620-F622 HydrophobicContact CD1-CE1 4.4Å; F622-V632 HydrophobicContact CE2-CG1 3.88Å; F622-V632 HydrophobicContact CZ-CG1 3.86Å
623C95.8Very high93Very high39 Ų3943.8 Ų43.826%0.26424%0.243SC..EExtended strand (participates in β ladder)trans-106.5139.6170.6-63.80000109.2V561 R562 R608V561-C623 CarbonylContact C-O 3.57Å; V561-C623 VanDerWaalsContact CA-O 3.29Å; V561-C623 WeakPolarHBondContact CA-O 3.4Å; R562-C623 PolarHBondContact N-O 3.4Å; R562-C623 PolarHBondContact O-N 3.15Å; R608-C623 WeakPolarHBondContact O-CA 3.47Å; R608-C623 WeakPolarHBondContact O-CB 3.29Å; R608-C623 PolarHBondContact O-SG 3.01Å
624C93.7Very high93Very high21 Ų2140.2 Ų40.214%0.14223%0.226CC..EExtended strand (participates in β ladder)trans-78.7138175-620000110.3C627 C629C624-C627 WeakPolarHBondContact CB-O 3.5Å; C624-C629 VanDerWaalsContact SG-SG 3.68Å
625V93.1Very high93Very high74 Ų7439.8 Ų39.845%0.44822%0.224SC..SBendtrans-110.6-43.2180-178.40000110.7I560 R562I560-V625 HydrophobicContact CB-CB 4.3Å; I560-V625 HydrophobicContact CG2-CB 3.9Å; I560-V625 HydrophobicContact CG2-CG1 4.28Å; I560-V625 HydrophobicContact CG2-CG2 4.48Å; I560-V625 PolarHBondContact O-N 2.98Å; R562-V625 HydrophobicContact CB-CG2 4.21Å
626S89.2Confident93.2Very high29 Ų2936.6 Ų36.620%0.20321%0.207CC..SBendtrans-78.2-24.4-18059.40000113.7A236 I560A236-S626 WeakPolarHBondContact CB-O 3.28Å; I560-S626 PolarHBondContact N-OG 3.03Å; I560-S626 PolarHBondContact O-N 2.67Å
627C90.6Very high93.5Very high19 Ų1930.1 Ų30.113%0.12818%0.177CC..SBendtrans-143.9171.7-174.965.90000112.1A236 Y559 C624 V631A236-C627 HydrophobicContact CB-CB 3.74Å; Y559-C627 VanDerWaalsContact CD1-SG 3.55Å; C624-C627 WeakPolarHBondContact CB-O 3.5Å; C627-V631 HydrophobicContact CB-CB 4.38Å; C627-V631 HydrophobicContact CB-CG2 4.31Å
628D90.4Very high93.9Very high73 Ų7323.1 Ų23.139%0.3914%0.139SC..  trans-66.4143.3167.6-162.1-69000110.6K630 V631D628-K630 HydrophobicContact CB-CB 4.42Å; D628-K630 PolarHBondContact O-N 2.7Å; D628-K630 VanDerWaalsContact O-N 3.1Å; D628-K630 VanDerWaalsContact OD1-CB 3.29Å; D628-K630 WeakPolarHBondContact OD1-CB 3.39Å; D628-K630 PolarHBondContact OD1-N 3.39Å; D628-V631 PolarHBondContact O-N 2.7Å
629C91.8Very high94.1Very high2 Ų220.3 Ų20.31%0.01412%0.122CC..Hα-helixtrans-57.2-24.8175.7-68.40000113V603 R608 V610 C624 V631 V632 H633V603-C629 HydrophobicContact CG1-CB 4.17Å; R608-C629 PolarHBondContact O-SG 3.32Å; V610-C629 HydrophobicContact CG2-CB 3.91Å; C624-C629 VanDerWaalsContact SG-SG 3.68Å; C629-V631 VanDerWaalsContact C-N 3.28Å; C629-V631 PolarHBondContact O-N 3.49Å; C629-V632 PolarHBondContact O-N 3.19Å; C629-H633 WeakPolarHBondContact O-CB 3.31Å; C629-H633 PolarHBondContact O-N 2.95Å
630K91.8Very high94Very high23 Ų2318 Ų1810%0.111%0.107CC..Hα-helixtrans-56.6-38.7173.5-175.162.3170.2178.80112.8D240 S242 W605 D628 H633 E634 T662 G663D240-K630 HydrophobicContact CB-CG 4.49Å; D240-K630 VanDerWaalsContact OD1-CE 3.23Å; D240-K630 WeakPolarHBondContact OD1-CE 3.43Å; D240-K630 IonicContact OD1-NZ 3.97Å; D240-K630 WeakPolarHBondContact OD2-CE 3.32Å; D240-K630 IonicContact OD2-NZ 3.04Å; S242-K630 WeakPolarHBondContact OG-CE 3.31Å; S242-K630 PolarHBondContact OG-NZ 3Å; W605-K630 HydrophobicContact CH2-CB 4.2Å; W605-K630 HydrophobicContact CH2-CD 3.62Å; W605-K630 HydrophobicContact CZ2-CD 4.49Å; W605-K630 HydrophobicContact CZ3-CB 3.92Å; W605-K630 HydrophobicContact CZ3-CD 4.15Å; D628-K630 HydrophobicContact CB-CB 4.42Å; D628-K630 PolarHBondContact O-N 2.7Å; D628-K630 VanDerWaalsContact O-N 3.1Å; D628-K630 VanDerWaalsContact OD1-CB 3.29Å; D628-K630 WeakPolarHBondContact OD1-CB 3.39Å; D628-K630 PolarHBondContact OD1-N 3.39Å; K630-H633 WeakPolarHBondContact O-CB 3.45Å; K630-H633 PolarHBondContact O-N 3.38Å; K630-E634 WeakPolarHBondContact O-CB 3.43Å; K630-E634 PolarHBondContact O-N 3.01Å; K630-T662 PolarHBondContact NZ-O 2.93Å; K630-G663 PolarHBondContact NZ-O 3.22Å
631V93.4Very high93.9Very high15 Ų1517.7 Ų17.79%0.09111%0.105CC..Hα-helixtrans-63.2-51.1178.6178.80000110.1W238 Y559 C627 D628 C629 H633 E634 F635W238-V631 HydrophobicContact CB-CG1 4.19Å; Y559-V631 HydrophobicContact CE1-CG1 3.82Å; C627-V631 HydrophobicContact CB-CB 4.38Å; C627-V631 HydrophobicContact CB-CG2 4.31Å; D628-V631 PolarHBondContact O-N 2.7Å; C629-V631 VanDerWaalsContact C-N 3.28Å; C629-V631 PolarHBondContact O-N 3.49Å; V631-H633 VanDerWaalsContact C-N 3.34Å; V631-H633 PolarHBondContact O-N 3.12Å; V631-E634 PolarHBondContact O-N 3.33Å; V631-F635 HydrophobicContact CG1-CD2 4.02Å; V631-F635 HydrophobicContact CG1-CE2 4.04Å; V631-F635 WeakPolarHBondContact O-CD2 3.47Å; V631-F635 PolarHBondContact O-N 3.08Å
632V94.6Very high93.7Very high0 Ų017.4 Ų17.40%010%0.101CC..Hα-helixtrans-64.1-40.2178.9168.80000111.7Y559 L572 I574 F622 C629 F635 I636Y559-V632 HydrophobicContact CD1-CG2 4.03Å; Y559-V632 HydrophobicContact CD2-CG2 3.99Å; Y559-V632 HydrophobicContact CE1-CG2 4.47Å; Y559-V632 HydrophobicContact CE2-CG2 4.45Å; Y559-V632 HydrophobicContact CG-CG2 3.78Å; L572-V632 HydrophobicContact CD2-CG1 4.27Å; I574-V632 HydrophobicContact CD1-CB 4.37Å; I574-V632 HydrophobicContact CD1-CG1 3.71Å; I574-V632 HydrophobicContact CD1-CG2 4.27Å; F622-V632 HydrophobicContact CE2-CG1 3.88Å; F622-V632 HydrophobicContact CZ-CG1 3.86Å; C629-V632 PolarHBondContact O-N 3.19Å; V632-F635 PolarHBondContact O-N 3.47Å; V632-I636 HydrophobicContact CG1-CD1 4.04Å; V632-I636 WeakPolarHBondContact O-CG1 3.44Å; V632-I636 PolarHBondContact O-N 3.08Å; V632-I636 VanDerWaalsContact O-N 3.11Å
633H94.9Very high93.3Very high14 Ų1421.5 Ų21.57%0.06513%0.13CC..Hα-helixtrans-56.6-48.4173.4167.983.1000111.7W601 V603 C629 K630 V631 F635 I636 G637 T662W601-H633 AromaticContact CD1-ND1 3.6Å; W601-H633 AromaticContact NE1-CE1 3.35Å; W601-H633 PolarHBondContact NE1-CE1 2.96Å; W601-H633 VanDerWaalsContact NE1-CE1 3.35Å; W601-H633 AromaticContact NE1-CG 3.96Å; W601-H633 AromaticContact NE1-ND1 2.94Å; W601-H633 PolarHBondContact NE1-ND1 2.94Å; V603-H633 HydrophobicContact CG2-CB 3.9Å; V603-H633 WeakPolarHBondContact CG2-ND1 3.42Å; C629-H633 WeakPolarHBondContact O-CB 3.31Å; C629-H633 PolarHBondContact O-N 2.95Å; K630-H633 WeakPolarHBondContact O-CB 3.45Å; K630-H633 PolarHBondContact O-N 3.38Å; V631-H633 VanDerWaalsContact C-N 3.34Å; V631-H633 PolarHBondContact O-N 3.12Å; H633-F635 PolarHBondContact O-N 2.86Å; H633-I636 PolarHBondContact O-N 3.33Å; H633-G637 PolarHBondContact O-N 3.06Å; H633-T662 PolarHBondContact CD2-O 2.53Å; H633-T662 PolarHBondContact NE2-O 3.3Å
634E95.9Very high92.8Very high2 Ų222.8 Ų22.81%0.00914%0.136CC..Hα-helixtrans-63.8-40.1178.4-177.6177.414500111.7S241 K261 Y262 K630 V631 I636 G637 G638 T662S241-E634 WeakPolarHBondContact CB-OE1 3.4Å; S241-E634 PolarHBondContact N-OE2 2.9Å; S241-E634 PolarHBondContact OG-OE1 2.97Å; K261-E634 VanDerWaalsContact NZ-CD 3.29Å; K261-E634 IonicContact NZ-OE1 3.69Å; K261-E634 PolarHBondContact NZ-OE1 3.47Å; K261-E634 IonicContact NZ-OE2 2.71Å; Y262-E634 PolarHBondContact OH-O 2.9Å; K630-E634 WeakPolarHBondContact O-CB 3.43Å; K630-E634 PolarHBondContact O-N 3.01Å; V631-E634 PolarHBondContact O-N 3.33Å; E634-I636 VanDerWaalsContact C-N 3.33Å; E634-I636 PolarHBondContact O-N 3.01Å; E634-G637 PolarHBondContact O-N 3.4Å; E634-G638 WeakPolarHBondContact O-CA 3.39Å; E634-G638 PolarHBondContact O-N 2.95Å; E634-T662 HydrophobicContact CG-CG2 3.93Å
635F96Very high92.3Very high0 Ų024 Ų240%014%0.138CC..Hα-helixtrans-61.3-40.5176.4-94.1-89.1000112.8W238 K261 Y262 N557 Y559 I574 V631 V632 H633 Y639W238-F635 AromaticContact CD1-CE2 3.55Å; W238-F635 AromaticContact CD1-CZ 3.7Å; W238-F635 HydrophobicContact CD2-CZ 4.48Å; W238-F635 HydrophobicContact CG-CE2 4Å; W238-F635 HydrophobicContact CG-CZ 4.28Å; W238-F635 AromaticContact NE1-CE2 3.98Å; W238-F635 AromaticContact NE1-CZ 3.61Å; K261-F635 HydrophobicContact CD-CE2 4.37Å; K261-F635 HydrophobicContact CD-CZ 4.15Å; K261-F635 HydrophobicContact CG-CE1 3.91Å; K261-F635 HydrophobicContact CG-CE2 4.29Å; K261-F635 HydrophobicContact CG-CZ 3.58Å; Y262-F635 HydrophobicContact CD1-CD1 4.43Å; Y262-F635 HydrophobicContact CE1-CD1 4.15Å; N557-F635 HydrophobicContact CB-CE1 4.18Å; Y559-F635 WeakPolarHBondContact OH-CD2 3.39Å; Y559-F635 WeakPolarHBondContact OH-CE2 3.32Å; Y559-F635 WeakPolarHBondContact OH-CZ 3.24Å; I574-F635 HydrophobicContact CD1-CB 4.33Å; I574-F635 HydrophobicContact CG2-CB 4.46Å; V631-F635 HydrophobicContact CG1-CD2 4.02Å; V631-F635 HydrophobicContact CG1-CE2 4.04Å; V631-F635 WeakPolarHBondContact O-CD2 3.47Å; V631-F635 PolarHBondContact O-N 3.08Å; V632-F635 PolarHBondContact O-N 3.47Å; H633-F635 PolarHBondContact O-N 2.86Å; F635-Y639 AromaticContact CD1-CE2 3.96Å; F635-Y639 HydrophobicContact CD1-CE2 3.96Å; F635-Y639 WeakPolarHBondContact O-CD2 3.49Å; F635-Y639 PolarHBondContact O-N 3.06Å; F635-Y639 VanDerWaalsContact O-N 3.07Å
636I95.5Very high91.2Very high0 Ų022.5 Ų22.50%013%0.131CC..Hα-helixtrans-64.6-53.7176-65.1162.4000109.9M579 F595 M598 W601 I612 V632 H633 E634 G638 Y639 I640M579-I636 HydrophobicContact CE-CD1 3.89Å; M579-I636 HydrophobicContact CE-CG1 4.29Å; M579-I636 HydrophobicContact SD-CD1 4.38Å; F595-I636 HydrophobicContact CE1-CG1 4.45Å; F595-I636 HydrophobicContact CE1-CG2 4.44Å; F595-I636 HydrophobicContact CZ-CG1 4.33Å; M598-I636 HydrophobicContact CE-CG2 3.8Å; M598-I636 HydrophobicContact SD-CG2 4.08Å; W601-I636 HydrophobicContact CD2-CG2 3.97Å; W601-I636 HydrophobicContact CE3-CG2 4.19Å; W601-I636 HydrophobicContact CG-CG2 4.37Å; W601-I636 HydrophobicContact CZ2-CG2 4.41Å; I612-I636 HydrophobicContact CD1-CD1 3.71Å; V632-I636 HydrophobicContact CG1-CD1 4.04Å; V632-I636 WeakPolarHBondContact O-CG1 3.44Å; V632-I636 PolarHBondContact O-N 3.08Å; V632-I636 VanDerWaalsContact O-N 3.11Å; H633-I636 PolarHBondContact O-N 3.33Å; E634-I636 VanDerWaalsContact C-N 3.33Å; E634-I636 PolarHBondContact O-N 3.01Å; I636-G638 VanDerWaalsContact C-N 3.34Å; I636-G638 PolarHBondContact O-N 3.3Å; I636-Y639 PolarHBondContact O-N 3.16Å; I636-I640 HydrophobicContact CG2-CD1 4.04Å; I636-I640 VanDerWaalsContact O-CG1 3.29Å; I636-I640 WeakPolarHBondContact O-CG1 3.09Å; I636-I640 PolarHBondContact O-N 2.86Å; I636-I640 VanDerWaalsContact O-N 3.13Å
637G95.1Very high89.8Confident0 Ų028.6 Ų28.60%015%0.154CC..Hα-helixtrans-61.2-40.6-179.700000113.1H633 E634 I640 F641 L661H633-G637 PolarHBondContact O-N 3.06Å; E634-G637 PolarHBondContact O-N 3.4Å; G637-I640 PolarHBondContact O-N 3.04Å; G637-F641 WeakPolarHBondContact O-CB 3.5Å; G637-F641 PolarHBondContact O-N 2.71Å; G637-L661 WeakPolarHBondContact CA-O 3.26Å
638G95.4Very high88Confident0 Ų035.3 Ų35.30%019%0.188CC..Hα-helixtrans-65.1-46178.100000112.7E634 I636 I640 F641 L642E634-G638 WeakPolarHBondContact O-CA 3.39Å; E634-G638 PolarHBondContact O-N 2.95Å; I636-G638 VanDerWaalsContact C-N 3.34Å; I636-G638 PolarHBondContact O-N 3.3Å; G638-I640 VanDerWaalsContact C-N 3.3Å; G638-I640 PolarHBondContact O-N 3.37Å; G638-F641 WeakPolarHBondContact O-CB 3.18Å; G638-F641 PolarHBondContact O-N 2.97Å; G638-L642 VanDerWaalsContact O-CG 3.23Å; G638-L642 WeakPolarHBondContact O-CG 3.45Å; G638-L642 PolarHBondContact O-N 3.31Å
639Y95.8Very high86.1Confident4 Ų438.3 Ų38.32%0.01620%0.2CC..Hα-helixtrans-64.5-34.9174.9-80-53.3000113Y262 V264 N557 I574 Y576 F595 F635 I636 S643Y262-Y639 AromaticContact CD1-CD1 3.85Å; Y262-Y639 HydrophobicContact CD1-CD1 3.85Å; Y262-Y639 HydrophobicContact CD1-CD2 4.4Å; Y262-Y639 AromaticContact CD1-CE1 3.82Å; Y262-Y639 HydrophobicContact CD1-CE1 3.82Å; Y262-Y639 HydrophobicContact CD1-CE2 4.37Å; Y262-Y639 HydrophobicContact CD1-CG 4.15Å; Y262-Y639 HydrophobicContact CG-CE1 4.41Å; V264-Y639 HydrophobicContact CG2-CD1 4.17Å; V264-Y639 HydrophobicContact CG2-CE1 4.07Å; N557-Y639 PolarHBondContact ND2-OH 3.3Å; N557-Y639 VanDerWaalsContact ND2-OH 3.14Å; I574-Y639 HydrophobicContact CG2-CD2 4.06Å; I574-Y639 HydrophobicContact CG2-CE2 3.98Å; Y576-Y639 VanDerWaalsContact CA-CD1 3.48Å; F595-Y639 HydrophobicContact CE2-CD2 4.18Å; F595-Y639 HydrophobicContact CE2-CG 4.34Å; F635-Y639 AromaticContact CD1-CE2 3.96Å; F635-Y639 HydrophobicContact CD1-CE2 3.96Å; F635-Y639 WeakPolarHBondContact O-CD2 3.49Å; F635-Y639 PolarHBondContact O-N 3.06Å; F635-Y639 VanDerWaalsContact O-N 3.07Å; I636-Y639 PolarHBondContact O-N 3.16Å; Y639-S643 PolarHBondContact O-N 2.98Å; Y639-S643 VanDerWaalsContact O-N 3.14Å
640I93.3Very high84.1Confident36 Ų3645.1 Ų45.119%0.18524%0.236CC..Hα-helixtrans-63.4-50.2172.6-64.7166.3000110M598 W601 I636 G637 G638 L642 S643 T644 L661M598-I640 HydrophobicContact CE-CD1 3.29Å; M598-I640 HydrophobicContact CE-CG1 4Å; W601-I640 HydrophobicContact CE3-CD1 4.08Å; W601-I640 HydrophobicContact CH2-CD1 3.47Å; W601-I640 VanDerWaalsContact CH2-CD1 3.47Å; W601-I640 HydrophobicContact CZ2-CD1 4.42Å; W601-I640 HydrophobicContact CZ3-CD1 3.25Å; I636-I640 HydrophobicContact CG2-CD1 4.04Å; I636-I640 VanDerWaalsContact O-CG1 3.29Å; I636-I640 WeakPolarHBondContact O-CG1 3.09Å; I636-I640 PolarHBondContact O-N 2.86Å; I636-I640 VanDerWaalsContact O-N 3.13Å; G637-I640 PolarHBondContact O-N 3.04Å; G638-I640 VanDerWaalsContact C-N 3.3Å; G638-I640 PolarHBondContact O-N 3.37Å; I640-L642 VanDerWaalsContact C-N 3.32Å; I640-L642 PolarHBondContact O-N 2.67Å; I640-S643 WeakPolarHBondContact O-CB 3.35Å; I640-S643 PolarHBondContact O-N 3.1Å; I640-S643 PolarHBondContact O-OG 3.25Å; I640-T644 PolarHBondContact O-N 3.27Å; I640-L661 HydrophobicContact CG2-CD1 4.31Å; I640-L661 HydrophobicContact CG2-CD2 4.43Å
641F93Very high82.6Confident8 Ų847.7 Ų47.74%0.03525%0.249CC..Hα-helixtrans-53.6-48.4176.4175.1-101.8000111.7E134 G637 G638 S643 T644 L653 D654 L657 F658 L661E134-F641 HydrophobicContact CB-CE1 4.1Å; E134-F641 HydrophobicContact CG-CE1 4.2Å; G637-F641 WeakPolarHBondContact O-CB 3.5Å; G637-F641 PolarHBondContact O-N 2.71Å; G638-F641 WeakPolarHBondContact O-CB 3.18Å; G638-F641 PolarHBondContact O-N 2.97Å; F641-S643 PolarHBondContact O-N 3.27Å; F641-S643 VanDerWaalsContact O-N 3.17Å; F641-T644 PolarHBondContact O-N 3.21Å; F641-T644 VanDerWaalsContact O-N 3.07Å; F641-T644 PolarHBondContact O-OG1 2.95Å; F641-L653 HydrophobicContact CE1-CD2 4.21Å; F641-L653 HydrophobicContact CZ-CD2 4.1Å; F641-D654 HydrophobicContact CE2-CB 4.44Å; F641-D654 WeakPolarHBondContact CE2-O 3.07Å; F641-L657 HydrophobicContact CD2-CB 4.47Å; F641-L657 HydrophobicContact CD2-CD2 4.16Å; F641-L657 HydrophobicContact CD2-CG 4.11Å; F641-L657 HydrophobicContact CE2-CB 4.39Å; F641-L657 HydrophobicContact CE2-CD2 4.39Å; F641-L657 HydrophobicContact CE2-CG 4.45Å; F641-F658 HydrophobicContact CB-CD2 4.38Å; F641-F658 AromaticContact CD1-CD2 3.76Å; F641-F658 HydrophobicContact CD1-CD2 3.76Å; F641-F658 HydrophobicContact CD2-CB 4Å; F641-F658 HydrophobicContact CD2-CD2 4.46Å; F641-F658 HydrophobicContact CE1-CB 4.41Å; F641-F658 HydrophobicContact CE1-CD2 4.12Å; F641-F658 HydrophobicContact CE2-CB 3.87Å; F641-F658 HydrophobicContact CG-CB 4.33Å; F641-F658 AromaticContact CG-CD2 3.94Å; F641-F658 HydrophobicContact CG-CD2 3.94Å; F641-F658 HydrophobicContact CZ-CB 4.08Å; F641-L661 HydrophobicContact CB-CD1 3.81Å; F641-L661 HydrophobicContact CD2-CD1 4.38Å
642L91.6Very high81.4Confident6 Ų652.2 Ų52.23%0.03128%0.277CS..Hα-helixtrans-65-23.3179.5-65.7174.4000113.5E134 E135 Y262 G638 I640 R645E134-L642 HydrophobicContact CB-CD2 4.2Å; E134-L642 HydrophobicContact CG-CD2 3.37Å; E135-L642 HydrophobicContact CG-CD2 4.49Å; Y262-L642 HydrophobicContact CD1-CD1 3.88Å; Y262-L642 HydrophobicContact CD2-CD1 3.74Å; Y262-L642 HydrophobicContact CG-CD1 3.33Å; G638-L642 VanDerWaalsContact O-CG 3.23Å; G638-L642 WeakPolarHBondContact O-CG 3.45Å; G638-L642 PolarHBondContact O-N 3.31Å; I640-L642 VanDerWaalsContact C-N 3.32Å; I640-L642 PolarHBondContact O-N 2.67Å; L642-R645 PolarHBondContact O-NE 3.41Å
643S89Confident80.4Confident86 Ų8654.4 Ų54.460%0.60129%0.288SS*.Hα-helixtrans-79.9-17.3176.780.20000113.7Y639 I640 F641 R645Y639-S643 PolarHBondContact O-N 2.98Å; Y639-S643 VanDerWaalsContact O-N 3.14Å; I640-S643 WeakPolarHBondContact O-CB 3.35Å; I640-S643 PolarHBondContact O-N 3.1Å; I640-S643 PolarHBondContact O-OG 3.25Å; F641-S643 PolarHBondContact O-N 3.27Å; F641-S643 VanDerWaalsContact O-N 3.17Å; S643-R645 VanDerWaalsContact C-N 3.3Å
644T85.5Confident80Confident66 Ų6657.8 Ų57.841%0.40531%0.307SS..SBendtrans-83.3-8.4176.367.50000112.8I640 F641 S646I640-T644 PolarHBondContact O-N 3.27Å; F641-T644 PolarHBondContact O-N 3.21Å; F641-T644 VanDerWaalsContact O-N 3.07Å; F641-T644 PolarHBondContact O-OG1 2.95Å; T644-S646 PolarHBondContact O-N 2.99Å
645R82.9Confident79.5Confident46 Ų4659.9 Ų59.917%0.17432%0.318CS..  trans-61.9130.8175.8-64.1-176.2-65.6174.92.7110.5E134 E135 V264 F266 L642 S643E134-R645 IonicContact OE1-CZ 2.78Å; E134-R645 IonicContact OE1-NH1 4Å; E134-R645 PolarHBondContact OE1-NH1 3.1Å; E135-R645 IonicContact OE1-CZ 2.78Å; E135-R645 IonicContact OE1-NH1 2.68Å; E135-R645 PolarHBondContact OE1-NH1 3.49Å; E135-R645 IonicContact OE1-NH2 3.77Å; V264-R645 PolarHBondContact O-NH2 3.25Å; F266-R645 HydrophobicContact CD2-CB 4.42Å; F266-R645 HydrophobicContact CE2-CB 4.42Å; L642-R645 PolarHBondContact O-NE 3.41Å; S643-R645 VanDerWaalsContact C-N 3.3Å
646S69.8Low79.1Confident43 Ų4367.6 Ų67.630%0.30135%0.354SS..  trans-129.6156.6174.570.30000110.1T644 D648 Q649T644-S646 PolarHBondContact O-N 2.99Å; S646-D648 VanDerWaalsContact C-N 3.26Å; S646-Q649 WeakPolarHBondContact OG-CB 3.16Å; S646-Q649 VanDerWaalsContact OG-CG 3.23Å; S646-Q649 WeakPolarHBondContact OG-CG 3.17Å; S646-Q649 PolarHBondContact OG-N 2.92Å
647K59.8Low78.8Confident157 Ų15770.1 Ų70.168%0.68337%0.367SS*.SBendtrans-75.3-16.8177.4-72.3-166171.7-152.30113.1F266 D267F266-K647 HydrophobicContact CE2-CG 4.23Å; F266-K647 HydrophobicContact CZ-CG 3.64Å; D267-K647 IonicContact OD1-NZ 3.95Å
648D52.6Low78.6Confident160 Ų16070.2 Ų70.286%0.85637%0.367SS*.SBendtrans-101.9-5-170.2-52-35.6000113S646S646-D648 VanDerWaalsContact C-N 3.26Å
649Q50.7Low78.2Confident136 Ų13672.7 Ų72.764%0.63638%0.381SS*.SBendtrans-103.3141.3176.8-71.1177.9-6.600109.7S646 E651S646-Q649 WeakPolarHBondContact OG-CB 3.16Å; S646-Q649 VanDerWaalsContact OG-CG 3.23Å; S646-Q649 WeakPolarHBondContact OG-CG 3.17Å; S646-Q649 PolarHBondContact OG-N 2.92Å; Q649-E651 PolarHBondContact O-N 3.24Å
650N49.7Very low77.9Confident145 Ų14580.7 Ų80.778%0.77542%0.416SS*.  trans-38.5128.6176.4-80.5-9.5000111.6T652N650-T652 PolarHBondContact O-N 2.69Å
651E59.3Low77.8Confident77 Ų7780.3 Ų80.336%0.3641%0.414SS..SBendtrans-67.61-173.3-58.2-155.9128.600114.9R132 Q649 L653R132-E651 IonicContact CZ-OE1 2.61Å; R132-E651 IonicContact NH2-OE1 3.97Å; R132-E651 PolarHBondContact NH2-OE1 2.8Å; R132-E651 IonicContact NH2-OE2 3.82Å; Q649-E651 PolarHBondContact O-N 3.24Å; E651-L653 PolarHBondContact O-N 3.28Å
652T68.2Low77.6Confident111 Ų11180 Ų8068%0.68141%0.412SS*.SBendtrans-68.4125.1177.450.10000110.7N650 D654N650-T652 PolarHBondContact O-N 2.69Å; T652-D654 PolarHBondContact O-N 3.39Å
653L75.4Confident76.8Confident46 Ų4680.5 Ų80.524%0.24142%0.419CS..  trans-60.3124.8176-78.1163000111.1E134 F641 E651 D655E134-L653 HydrophobicContact CB-CD2 3.83Å; E134-L653 HydrophobicContact CG-CD2 3.87Å; E134-L653 WeakPolarHBondContact OE2-CD2 3.33Å; F641-L653 HydrophobicContact CE1-CD2 4.21Å; F641-L653 HydrophobicContact CZ-CD2 4.1Å; E651-L653 PolarHBondContact O-N 3.28Å; L653-D655 VanDerWaalsContact C-N 3.33Å; L653-D655 PolarHBondContact O-N 3.33Å; L653-D655 VanDerWaalsContact O-N 3.07Å
654D86.2Confident75.6Confident84 Ų8477.6 Ų77.645%0.44940%0.403SS..  trans-81.182.2172.7-171.7-15.8000109.8F641 T652 E656 L657 F658F641-D654 HydrophobicContact CE2-CB 4.44Å; F641-D654 WeakPolarHBondContact CE2-O 3.07Å; T652-D654 PolarHBondContact O-N 3.39Å; D654-E656 PolarHBondContact O-N 2.93Å; D654-E656 PolarHBondContact OD1-N 2.75Å; D654-L657 HydrophobicContact CB-CB 3.98Å; D654-L657 PolarHBondContact O-N 2.63Å; D654-L657 WeakPolarHBondContact OD1-CB 2.91Å; D654-L657 PolarHBondContact OD1-N 2.67Å; D654-L657 WeakPolarHBondContact OD2-CB 3.43Å; D654-F658 PolarHBondContact O-N 2.86Å
655D84.8Confident74Confident46 Ų4683.2 Ų83.225%0.24642%0.424CS..Hα-helixtrans-58.1-37.4-180-56.1-46.4000112.2F118 K119 L653 F658 L659F118-D655 WeakPolarHBondContact CE1-OD1 3.19Å; K119-D655 VanDerWaalsContact CE-CG 3.48Å; K119-D655 WeakPolarHBondContact CE-OD2 3.34Å; K119-D655 IonicContact NZ-OD1 2.69Å; K119-D655 PolarHBondContact NZ-OD1 3.09Å; K119-D655 IonicContact NZ-OD2 2.71Å; K119-D655 PolarHBondContact NZ-OD2 2.88Å; L653-D655 VanDerWaalsContact C-N 3.33Å; L653-D655 PolarHBondContact O-N 3.33Å; L653-D655 VanDerWaalsContact O-N 3.07Å; D655-F658 PolarHBondContact O-N 2.85Å; D655-L659 WeakPolarHBondContact O-CB 3.26Å; D655-L659 VanDerWaalsContact O-CG 3.31Å; D655-L659 WeakPolarHBondContact O-CG 2.92Å; D655-L659 PolarHBondContact O-N 2.74Å
656E87Confident71.9Confident163 Ų16393 Ų9376%0.76247%0.472SS*.Hα-helixtrans-66.5-42.7-178.5-66.8-168.2172.800110.5D654 L659 K660D654-E656 PolarHBondContact O-N 2.93Å; D654-E656 PolarHBondContact OD1-N 2.75Å; E656-L659 PolarHBondContact O-N 2.83Å; E656-K660 VanDerWaalsContact O-CB 3.29Å; E656-K660 WeakPolarHBondContact O-CB 2.92Å; E656-K660 PolarHBondContact O-N 3.45Å
657L90.3Very high72Confident52 Ų5295.5 Ų95.527%0.27248%0.48SS..Hα-helixtrans-64.2-43.3174.3-179.262.7000111.6F641 D654 L659 K660 L661F641-L657 HydrophobicContact CD2-CB 4.47Å; F641-L657 HydrophobicContact CD2-CD2 4.16Å; F641-L657 HydrophobicContact CD2-CG 4.11Å; F641-L657 HydrophobicContact CE2-CB 4.39Å; F641-L657 HydrophobicContact CE2-CD2 4.39Å; F641-L657 HydrophobicContact CE2-CG 4.45Å; D654-L657 HydrophobicContact CB-CB 3.98Å; D654-L657 PolarHBondContact O-N 2.63Å; D654-L657 WeakPolarHBondContact OD1-CB 2.91Å; D654-L657 PolarHBondContact OD1-N 2.67Å; D654-L657 WeakPolarHBondContact OD2-CB 3.43Å; L657-L659 PolarHBondContact O-N 3.4Å; L657-K660 PolarHBondContact O-N 3.47Å; L657-L661 HydrophobicContact CD1-CD1 3.97Å; L657-L661 HydrophobicContact CD1-CG 4.19Å; L657-L661 HydrophobicContact CG-CD1 3.93Å; L657-L661 VanDerWaalsContact O-CG 3.31Å; L657-L661 WeakPolarHBondContact O-CG 3.26Å; L657-L661 PolarHBondContact O-N 3.24Å
658F90.8Very high72.7Confident2 Ų292.2 Ų92.21%0.00947%0.47CS..Hα-helixtrans-57.9-49.1176.1178.8-95.7000111.1F118 F641 D654 D655 K660 L661 T662F118-F658 HydrophobicContact CB-CD1 4.5Å; F118-F658 HydrophobicContact CB-CE1 4.09Å; F118-F658 HydrophobicContact CD1-CD1 4.02Å; F118-F658 HydrophobicContact CD1-CE1 4.36Å; F118-F658 AromaticContact CD2-CD1 3.73Å; F118-F658 HydrophobicContact CD2-CD1 3.73Å; F118-F658 AromaticContact CD2-CE1 3.37Å; F118-F658 HydrophobicContact CD2-CE1 3.37Å; F118-F658 HydrophobicContact CD2-CE2 4.21Å; F118-F658 HydrophobicContact CD2-CG 4.3Å; F118-F658 AromaticContact CD2-CZ 3.63Å; F118-F658 HydrophobicContact CD2-CZ 3.63Å; F118-F658 HydrophobicContact CE1-CB 4.5Å; F118-F658 HydrophobicContact CE1-CD1 4.13Å; F118-F658 HydrophobicContact CE1-CG 4.32Å; F118-F658 AromaticContact CE2-CD1 3.85Å; F118-F658 HydrophobicContact CE2-CD1 3.85Å; F118-F658 AromaticContact CE2-CD2 3.98Å; F118-F658 HydrophobicContact CE2-CD2 3.98Å; F118-F658 AromaticContact CE2-CE1 3.81Å; F118-F658 HydrophobicContact CE2-CE1 3.81Å; F118-F658 AromaticContact CE2-CE2 3.93Å; F118-F658 HydrophobicContact CE2-CE2 3.93Å; F118-F658 AromaticContact CE2-CG 3.94Å; F118-F658 HydrophobicContact CE2-CG 3.94Å; F118-F658 AromaticContact CE2-CZ 3.85Å; F118-F658 HydrophobicContact CE2-CZ 3.85Å; F118-F658 AromaticContact CG-CD1 3.82Å; F118-F658 HydrophobicContact CG-CD1 3.82Å; F118-F658 AromaticContact CG-CE1 3.68Å; F118-F658 HydrophobicContact CG-CE1 3.68Å; F118-F658 HydrophobicContact CG-CZ 4.4Å; F118-F658 HydrophobicContact CZ-CB 4.34Å; F118-F658 HydrophobicContact CZ-CD1 4.05Å; F118-F658 HydrophobicContact CZ-CD2 4.28Å; F118-F658 HydrophobicContact CZ-CE1 4.46Å; F118-F658 AromaticContact CZ-CG 3.95Å; F118-F658 HydrophobicContact CZ-CG 3.95Å; F641-F658 HydrophobicContact CB-CD2 4.38Å; F641-F658 AromaticContact CD1-CD2 3.76Å; F641-F658 HydrophobicContact CD1-CD2 3.76Å; F641-F658 HydrophobicContact CD2-CB 4Å; F641-F658 HydrophobicContact CD2-CD2 4.46Å; F641-F658 HydrophobicContact CE1-CB 4.41Å; F641-F658 HydrophobicContact CE1-CD2 4.12Å; F641-F658 HydrophobicContact CE2-CB 3.87Å; F641-F658 HydrophobicContact CG-CB 4.33Å; F641-F658 AromaticContact CG-CD2 3.94Å; F641-F658 HydrophobicContact CG-CD2 3.94Å; F641-F658 HydrophobicContact CZ-CB 4.08Å; D654-F658 PolarHBondContact O-N 2.86Å; D655-F658 PolarHBondContact O-N 2.85Å; F658-K660 VanDerWaalsContact C-N 3.34Å; F658-K660 PolarHBondContact O-N 3.44Å; F658-L661 PolarHBondContact O-N 3.41Å; F658-T662 HydrophobicContact CD2-CG2 4.15Å; F658-T662 HydrophobicContact CE1-CG2 4.26Å; F658-T662 WeakPolarHBondContact CE1-OG1 3.28Å; F658-T662 HydrophobicContact CE2-CG2 3.77Å; F658-T662 HydrophobicContact CZ-CG2 3.83Å; F658-T662 WeakPolarHBondContact O-CB 3.3Å; F658-T662 WeakPolarHBondContact O-CG2 3.42Å; F658-T662 PolarHBondContact O-N 3.12Å; F658-T662 PolarHBondContact O-OG1 3.36Å
659L87.1Confident73.8Confident53 Ų5388.4 Ų88.428%0.27745%0.448SS..Hα-helixtrans-65.1-35.6178.2-69.5174000112.3M116 D655 E656 L657 L661 T662 G663M116-L659 HydrophobicContact SD-CD1 4Å; M116-L659 HydrophobicContact SD-CD2 3.73Å; D655-L659 WeakPolarHBondContact O-CB 3.26Å; D655-L659 VanDerWaalsContact O-CG 3.31Å; D655-L659 WeakPolarHBondContact O-CG 2.92Å; D655-L659 PolarHBondContact O-N 2.74Å; E656-L659 PolarHBondContact O-N 2.83Å; L657-L659 PolarHBondContact O-N 3.4Å; L659-L661 VanDerWaalsContact C-N 3.28Å; L659-L661 PolarHBondContact O-N 2.92Å; L659-T662 PolarHBondContact O-N 3.05Å; L659-G663 WeakPolarHBondContact O-CA 3.3Å; L659-G663 PolarHBondContact O-N 3.09Å
660K89.4Confident75.1Confident172 Ų17285.6 Ų85.675%0.74844%0.437SS*.Hα-helixtrans-63.7-35.8174.4-174.2178.3180-179.30112.2E656 L657 F658E656-K660 VanDerWaalsContact O-CB 3.29Å; E656-K660 WeakPolarHBondContact O-CB 2.92Å; E656-K660 PolarHBondContact O-N 3.45Å; L657-K660 PolarHBondContact O-N 3.47Å; F658-K660 VanDerWaalsContact C-N 3.34Å; F658-K660 PolarHBondContact O-N 3.44Å
661L91.1Very high76.7Confident28 Ų2881.9 Ų81.915%0.14742%0.416CS..Hα-helixtrans-83.8-23.5-179.6-67.4170.4000113.2W601 G637 I640 F641 L657 F658 L659W601-L661 HydrophobicContact CH2-CD2 3.89Å; W601-L661 WeakPolarHBondContact CZ2-O 3.3Å; G637-L661 WeakPolarHBondContact CA-O 3.26Å; I640-L661 HydrophobicContact CG2-CD1 4.31Å; I640-L661 HydrophobicContact CG2-CD2 4.43Å; F641-L661 HydrophobicContact CB-CD1 3.81Å; F641-L661 HydrophobicContact CD2-CD1 4.38Å; L657-L661 HydrophobicContact CD1-CD1 3.97Å; L657-L661 HydrophobicContact CD1-CG 4.19Å; L657-L661 HydrophobicContact CG-CD1 3.93Å; L657-L661 VanDerWaalsContact O-CG 3.31Å; L657-L661 WeakPolarHBondContact O-CG 3.26Å; L657-L661 PolarHBondContact O-N 3.24Å; F658-L661 PolarHBondContact O-N 3.41Å; L659-L661 VanDerWaalsContact C-N 3.28Å; L659-L661 PolarHBondContact O-N 2.92Å
662T89.6Confident77.9Confident0 Ų082.3 Ų82.30%042%0.42CS..Hα-helixtrans-122.5-22.9-170.861.50000114.9K630 H633 E634 F658 L659 G664K630-T662 PolarHBondContact NZ-O 2.93Å; H633-T662 PolarHBondContact CD2-O 2.53Å; H633-T662 PolarHBondContact NE2-O 3.3Å; E634-T662 HydrophobicContact CG-CG2 3.93Å; F658-T662 HydrophobicContact CD2-CG2 4.15Å; F658-T662 HydrophobicContact CE1-CG2 4.26Å; F658-T662 WeakPolarHBondContact CE1-OG1 3.28Å; F658-T662 HydrophobicContact CE2-CG2 3.77Å; F658-T662 HydrophobicContact CZ-CG2 3.83Å; F658-T662 WeakPolarHBondContact O-CB 3.3Å; F658-T662 WeakPolarHBondContact O-CG2 3.42Å; F658-T662 PolarHBondContact O-N 3.12Å; F658-T662 PolarHBondContact O-OG1 3.36Å; L659-T662 PolarHBondContact O-N 3.05Å; T662-G664 VanDerWaalsContact C-N 3.32Å; T662-G664 PolarHBondContact O-N 3.1Å
663G74.7Confident78.6Confident17 Ų1780.2 Ų80.218%0.17540%0.401CS..SBendtrans-72.1-22.7-173.800000113.9K630 L659K630-G663 PolarHBondContact NZ-O 3.22Å; L659-G663 WeakPolarHBondContact O-CA 3.3Å; L659-G663 PolarHBondContact O-N 3.09Å
664G63.1Low78.8Confident25 Ų2582.8 Ų82.826%0.25841%0.414SS..  trans65.1141.5-166.400000110.4T662 E666T662-G664 VanDerWaalsContact C-N 3.32Å; T662-G664 PolarHBondContact O-N 3.1Å; G664-E666 PolarHBondContact O-N 3.22Å
665Q51.2Low78.2Confident185 Ų18582.8 Ų82.886%0.86441%0.411SS*.  trans-75.1107.4163.6-68.8179.4-1400106.2
666E39.8Very low77.6Confident250 Ų25086.1 Ų86.1100%1.16843%0.425SS*.  trans-78.80162.3-78.5-167.4165.700110.9G664G664-E666 PolarHBondContact O-N 3.22Å

Retrieved 666 of 666 residues in 1205.4 ms (Link to these results)

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