A0A077Z853_TRITR Loading...

Spindle assembly abnormal protein 6 homolog

AlphaFold DB , UniProt , Accession A0A077Z853, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 544 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
1M37.3Very low36Very low247 Ų247138.8 Ų138.8100%1.21777%0.769SS**  01320-76.4-170.4173.600107.7
2N41.6Very low35.6Very low139 Ų139138.3 Ų138.374%0.74376%0.762SS**  trans-22.7125.4-178.2-67.6-26.2000116.8
3D37.9Very low35.6Very low162 Ų162136.5 Ų136.587%0.86676%0.762SS**  trans-118.964.7137.6-127.1-15.5000108.9A5D3-A5 PolarHBondContact O-N 3.26Å
4K38.9Very low35.7Very low175 Ų175137.4 Ų137.476%0.76176%0.764SS**  trans-80.178.7155.4-84.5-179.4172178.50106.7
5A39.4Very low36.1Very low70 Ų70138.4 Ų138.458%0.57976%0.76SS**  trans-105.986.815800000105.4D3 K7D3-A5 PolarHBondContact O-N 3.26Å; A5-K7 PolarHBondContact O-N 3.01Å
6V38.3Very low37Very low114 Ų114135.8 Ų135.869%0.69176%0.755SS**  29.750.583.5-160.10000111.7N8V6-N8 VanDerWaalsContact C-N 3.25Å
7K34.9Very low38.2Very low193 Ų193132.7 Ų132.784%0.83974%0.741SS**  trans-86.784.7139.7-74.3-178.8177.7178.30104.1A5A5-K7 PolarHBondContact O-N 3.01Å
8N30.8Very low39.9Very low129 Ų129127.9 Ų127.969%0.6971%0.714SS**  37.697.896.8-76.8-9.6000108.5V6 A10V6-N8 VanDerWaalsContact C-N 3.25Å; N8-A10 PolarHBondContact O-N 3.36Å
9A32Very low42.2Very low86 Ų86126.1 Ų126.171%0.71170%0.701SS**  trans-23.184.5147.500000110.9I11A9-I11 HydrophobicContact CB-CG1 4.09Å; A9-I11 PolarHBondContact O-N 3.03Å
10A32.8Very low44.4Very low87 Ų87125 Ų12572%0.71970%0.7SS**  trans-71.281.3145.300000102.2N8 L12N8-A10 PolarHBondContact O-N 3.36Å; A10-L12 PolarHBondContact O-N 2.95Å
11I32.2Very low46.4Very low125 Ų125122.1 Ų122.164%0.64168%0.683SS**  trans-47.398.3155-63.7165000102.1A9 P13A9-I11 HydrophobicContact CB-CG1 4.09Å; A9-I11 PolarHBondContact O-N 3.03Å; I11-P13 WeakPolarHBondContact O-CD 3.45Å
12L31.1Very low49Very low132 Ų132111.2 Ų111.269%0.69163%0.628SS**  trans-51.8117.5172.2-82.5155.5000103.5A10 N14 E15A10-L12 PolarHBondContact O-N 2.95Å; L12-N14 PolarHBondContact O-N 3.36Å; L12-E15 PolarHBondContact O-N 2.92Å; L12-E15 VanDerWaalsContact O-N 3.09Å
13P36.2Very low51.4Low116 Ų116107.7 Ų107.775%0.75362%0.618SS**THydrogen-bonded Turntrans-63.32.8-176.1-20.231.6000113.4I11I11-P13 WeakPolarHBondContact O-CD 3.45Å
14N37.1Very low54Low148 Ų148104.2 Ų104.279%0.79160%0.595SS**THydrogen-bonded Turntrans-104.98.7-179.8-71.12.9000113.1L12 S16L12-N14 PolarHBondContact O-N 3.36Å; N14-S16 PolarHBondContact O-N 2.74Å
15E41.5Very low56.4Low153 Ų153100 Ų10072%0.71558%0.577SS**SBendtrans-59.396.5151.4-88.1-173.317600105.4L12 T17L12-E15 PolarHBondContact O-N 2.92Å; L12-E15 VanDerWaalsContact O-N 3.09Å; E15-T17 VanDerWaalsContact C-N 3.34Å; E15-T17 PolarHBondContact O-N 2.95Å
16S50.2Low58.8Low96 Ų9696.8 Ų96.867%0.67155%0.55SS**  trans-49.8104.3179.129.30000106.5N14 D18N14-S16 PolarHBondContact O-N 2.74Å; S16-D18 PolarHBondContact O-N 2.87Å
17T58.1Low61.3Low84 Ų8492.6 Ų92.652%0.51553%0.525SS..  trans-67.436.7171.539.50000110.5E15 I19 K47 A48E15-T17 VanDerWaalsContact C-N 3.34Å; E15-T17 PolarHBondContact O-N 2.95Å; T17-I19 PolarHBondContact O-N 2.82Å; T17-K47 VanDerWaalsContact O-O 3.09Å; T17-A48 VanDerWaalsContact O-CA 3.26Å; T17-A48 WeakPolarHBondContact O-CA 3.33Å
18D68.5Low63.8Low47 Ų4783.6 Ų83.625%0.25149%0.486SS..  trans-72.791.1172.4-100.311.8000106.5S16 P20 S46 K47 A48S16-D18 PolarHBondContact O-N 2.87Å; D18-P20 VanDerWaalsContact O-CD 3.24Å; D18-P20 WeakPolarHBondContact O-CD 3.32Å; D18-S46 VanDerWaalsContact CG-OG 3.27Å; D18-S46 PolarHBondContact OD2-OG 3.31Å; D18-K47 CarbonylContact C-O 3.51Å; D18-K47 WeakPolarHBondContact CA-O 3.38Å; D18-A48 WeakPolarHBondContact OD1-CB 3.5Å
19I82.9Confident66.5Low93 Ų9378.2 Ų78.248%0.47746%0.459SS..EExtended strand (participates in β ladder)trans-69.8113.8168.4-58.8167.9000106.3T17 L21 S46 K47T17-I19 PolarHBondContact O-N 2.82Å; I19-L21 HydrophobicContact CG2-CD2 4.44Å; I19-L21 PolarHBondContact O-N 3.19Å; I19-S46 CarbonylContact O-C 3.56Å; I19-S46 WeakPolarHBondContact O-CA 3.29Å; I19-K47 PolarHBondContact N-O 3.05Å; I19-K47 PolarHBondContact O-N 3.43Å
20P85.9Confident69.1Low104 Ų10474.9 Ų74.968%0.67543%0.428SS*.EExtended strand (participates in β ladder)trans-67.9119.9177.528.4-32.7000108.8D18D18-P20 VanDerWaalsContact O-CD 3.24Å; D18-P20 WeakPolarHBondContact O-CD 3.32Å
21L88Confident71.5Confident65 Ų6571.9 Ų71.934%0.3440%0.401SS..EExtended strand (participates in β ladder)trans-93.2-35.3177.6-65.2-176.7000111.6I19 L45 K47 L60 P100 I104I19-L21 HydrophobicContact CG2-CD2 4.44Å; I19-L21 PolarHBondContact O-N 3.19Å; L21-L45 HydrophobicContact CB-CD2 4.17Å; L21-L45 HydrophobicContact CB-CG 4.19Å; L21-L45 HydrophobicContact CD1-CD2 4.23Å; L21-L45 HydrophobicContact CD1-CG 4.33Å; L21-L45 PolarHBondContact N-O 2.93Å; L21-K47 HydrophobicContact CD1-CB 3.63Å; L21-K47 HydrophobicContact CD1-CD 4.38Å; L21-K47 HydrophobicContact CD2-CB 4.39Å; L21-K47 HydrophobicContact CG-CB 3.94Å; L21-L60 HydrophobicContact CD1-CD2 4.19Å; L21-P100 HydrophobicContact CD1-CB 3.76Å; L21-P100 HydrophobicContact CD1-CG 4.36Å; L21-I104 HydrophobicContact CB-CD1 4.3Å
22Y91.3Very high73.8Confident18 Ų1870 Ų707%0.07139%0.39CS..EExtended strand (participates in β ladder)trans-154.7136-176.9-172.8-106.6000110.8K24 L26 F43 K44 L45 I104 L107 E108Y22-K24 HydrophobicContact CE1-CB 4.01Å; Y22-K24 HydrophobicContact CE2-CB 4.35Å; Y22-K24 HydrophobicContact CE2-CD 3.82Å; Y22-K24 HydrophobicContact CE2-CG 4.03Å; Y22-K24 WeakPolarHBondContact OH-CD 3.21Å; Y22-L26 HydrophobicContact CE1-CD1 4.37Å; Y22-L26 HydrophobicContact CE1-CD2 4.38Å; Y22-F43 AromaticContact CD1-CD1 3.83Å; Y22-F43 HydrophobicContact CD1-CD1 3.83Å; Y22-F43 HydrophobicContact CD1-CE1 4.34Å; Y22-F43 HydrophobicContact CE1-CD1 4.21Å; Y22-K44 CarbonylContact O-C 3.46Å; Y22-K44 VanDerWaalsContact O-CA 3.29Å; Y22-K44 WeakPolarHBondContact O-CA 3.39Å; Y22-L45 PolarHBondContact N-O 3.31Å; Y22-L45 VanDerWaalsContact N-O 3.15Å; Y22-L45 PolarHBondContact O-N 2.67Å; Y22-I104 HydrophobicContact CD2-CG1 4.24Å; Y22-I104 HydrophobicContact CD2-CG2 3.86Å; Y22-I104 HydrophobicContact CE2-CG2 4.11Å; Y22-I104 HydrophobicContact CG-CG1 4.12Å; Y22-L107 HydrophobicContact CD1-CD1 4.2Å; Y22-L107 HydrophobicContact CE1-CB 4.38Å; Y22-L107 HydrophobicContact CE1-CD1 4.01Å; Y22-E108 HydrophobicContact CE2-CG 4.27Å; Y22-E108 WeakPolarHBondContact CE2-OE1 3.49Å
23A90.9Very high75.7Confident65 Ų6569.5 Ų69.554%0.53739%0.388SS..EExtended strand (participates in β ladder)trans-149.3101.7175.600000109.4F43 K44A23-F43 WeakPolarHBondContact CA-O 3.36Å; A23-K44 HydrophobicContact CB-CG 4.07Å
24K92.4Very high77.4Confident88 Ų8867.3 Ų67.338%0.38339%0.387SS..EExtended strand (participates in β ladder)trans-146.8161.3178.2-76.2-168.3179.3171.20111.5Y22 F43 E108Y22-K24 HydrophobicContact CE1-CB 4.01Å; Y22-K24 HydrophobicContact CE2-CB 4.35Å; Y22-K24 HydrophobicContact CE2-CD 3.82Å; Y22-K24 HydrophobicContact CE2-CG 4.03Å; Y22-K24 WeakPolarHBondContact OH-CD 3.21Å; K24-F43 PolarHBondContact N-O 2.94Å; K24-F43 VanDerWaalsContact N-O 3.1Å; K24-F43 PolarHBondContact O-N 3.36Å; K24-E108 IonicContact NZ-OE1 3.6Å; K24-E108 PolarHBondContact NZ-OE1 2.82Å; K24-E108 IonicContact NZ-OE2 3.17Å; K24-E108 PolarHBondContact NZ-OE2 3.12Å
25K89.7Confident79.4Confident88 Ų8867.9 Ų67.938%0.38338%0.384SS..EExtended strand (participates in β ladder)trans-84.8117.2172.4-167.9168.3-172.7164.40109.3Y40 V41 E67 L111K25-Y40 HydrophobicContact CG-CD1 4.02Å; K25-Y40 HydrophobicContact CG-CG 4.29Å; K25-V41 CarbonylContact C-O 3.58Å; K25-V41 WeakPolarHBondContact CA-O 3.48Å; K25-E67 IonicContact NZ-OE1 2.67Å; K25-E67 PolarHBondContact NZ-OE1 3.16Å; K25-E67 IonicContact NZ-OE2 2.66Å; K25-E67 PolarHBondContact NZ-OE2 3.24Å; K25-L111 WeakPolarHBondContact O-CD1 3.28Å
26L90.3Very high81.3Confident1 Ų166.7 Ų66.71%0.00538%0.377CS..EExtended strand (participates in β ladder)trans-111.5139.6-176-62-175.8000111.5Y22 V28 Y40 V41 F43 L107 L111 I123Y22-L26 HydrophobicContact CE1-CD1 4.37Å; Y22-L26 HydrophobicContact CE1-CD2 4.38Å; L26-V28 HydrophobicContact CB-CG2 4.36Å; L26-Y40 WeakPolarHBondContact O-CA 3.04Å; L26-V41 HydrophobicContact CB-CG2 4.34Å; L26-V41 PolarHBondContact N-O 2.76Å; L26-V41 PolarHBondContact O-N 2.91Å; L26-F43 HydrophobicContact CD1-CB 3.5Å; L26-F43 HydrophobicContact CD1-CD1 4.43Å; L26-F43 HydrophobicContact CD1-CD2 4.21Å; L26-F43 HydrophobicContact CD1-CG 3.82Å; L26-F43 HydrophobicContact CG-CB 3.95Å; L26-L107 HydrophobicContact CD1-CB 4.18Å; L26-L107 HydrophobicContact CD1-CD1 4.13Å; L26-L107 HydrophobicContact CD1-CD2 3.81Å; L26-L107 HydrophobicContact CD1-CG 4.24Å; L26-L111 HydrophobicContact CD2-CB 4.4Å; L26-L111 HydrophobicContact CD2-CD1 3.52Å; L26-I123 HydrophobicContact CB-CD1 4.36Å; L26-I123 HydrophobicContact CD1-CD1 3.93Å
27P89.9Confident83Confident27 Ų2766.9 Ų66.918%0.17537%0.37CS..EExtended strand (participates in β ladder)trans-76.2123.3170.729.6-29.8000110.1Y40 A114P27-Y40 HydrophobicContact CB-CD1 4.25Å; P27-Y40 HydrophobicContact CB-CE1 3.85Å; P27-Y40 HydrophobicContact CG-CE1 4.47Å; P27-A114 HydrophobicContact CB-CB 4.37Å; P27-A114 HydrophobicContact CG-CB 3.47Å; P27-A114 VanDerWaalsContact CG-CB 3.47Å
28V88.5Confident84.3Confident3 Ų371.1 Ų71.12%0.01838%0.381CS..EExtended strand (participates in β ladder)trans-133.1143.2-175.8174.70000110.3L26 F30 K38 A39 V41 I123 V125L26-V28 HydrophobicContact CB-CG2 4.36Å; V28-F30 HydrophobicContact CG1-CD2 4.46Å; V28-F30 HydrophobicContact CG1-CE2 4.31Å; V28-K38 WeakPolarHBondContact O-CA 3.48Å; V28-A39 PolarHBondContact N-O 3.18Å; V28-A39 PolarHBondContact O-N 3.26Å; V28-V41 HydrophobicContact CB-CG1 4.19Å; V28-V41 HydrophobicContact CB-CG2 4.2Å; V28-V41 HydrophobicContact CG2-CG1 4.33Å; V28-V41 HydrophobicContact CG2-CG2 3.43Å; V28-V41 VanDerWaalsContact CG2-CG2 3.43Å; V28-I123 WeakPolarHBondContact CA-O 3.37Å; V28-I123 HydrophobicContact CB-CG2 4.36Å; V28-I123 HydrophobicContact CG1-CG2 4.03Å; V28-I123 HydrophobicContact CG2-CB 3.95Å; V28-I123 HydrophobicContact CG2-CG2 3.66Å; V28-V125 HydrophobicContact CG1-CB 4.08Å; V28-V125 HydrophobicContact CG1-CG2 3.45Å; V28-V125 VanDerWaalsContact CG1-CG2 3.45Å
29S87.6Confident85.3Confident16 Ų1669.4 Ų69.411%0.11237%0.374CS..EExtended strand (participates in β ladder)trans-103.5108.5170.7-58.80000110.3V31 L37 I123 E124 V125S29-V31 PolarHBondContact O-N 3.4Å; S29-L37 CarbonylContact C-O 3.54Å; S29-L37 WeakPolarHBondContact CA-O 3.18Å; S29-I123 PolarHBondContact N-O 2.89Å; S29-E124 CarbonylContact O-C 3.52Å; S29-E124 WeakPolarHBondContact O-CA 3.3Å; S29-V125 PolarHBondContact O-N 2.98Å
30F85.4Confident85.6Confident16 Ų1671.6 Ų71.67%0.0738%0.377CS..EExtended strand (participates in β ladder)trans-73.8123.6172.1-72.1-85.7000109.8V28 K36 L37 A39 V41 L72 L74 V125 I127V28-F30 HydrophobicContact CG1-CD2 4.46Å; V28-F30 HydrophobicContact CG1-CE2 4.31Å; F30-K36 CarbonylContact O-C 3.5Å; F30-K36 VanDerWaalsContact O-CA 3.3Å; F30-K36 WeakPolarHBondContact O-CA 3.23Å; F30-L37 HydrophobicContact CB-CB 4.43Å; F30-L37 PolarHBondContact N-O 2.71Å; F30-L37 PolarHBondContact O-N 2.96Å; F30-A39 HydrophobicContact CD2-CB 4.1Å; F30-A39 HydrophobicContact CE2-CB 4.04Å; F30-V41 HydrophobicContact CE2-CG1 3.52Å; F30-V41 HydrophobicContact CZ-CG1 3.53Å; F30-L72 HydrophobicContact CE1-CD2 4.12Å; F30-L72 HydrophobicContact CZ-CD2 3.67Å; F30-L74 HydrophobicContact CE1-CD1 4.5Å; F30-V125 CarbonylContact C-O 3.58Å; F30-V125 WeakPolarHBondContact CA-O 3.18Å; F30-V125 HydrophobicContact CD1-CB 3.72Å; F30-V125 HydrophobicContact CD1-CG1 3.8Å; F30-V125 HydrophobicContact CE1-CB 3.86Å; F30-V125 HydrophobicContact CE1-CG1 3.78Å; F30-V125 HydrophobicContact CE1-CG2 4.29Å; F30-V125 HydrophobicContact CG-CB 4.48Å; F30-I127 HydrophobicContact CD1-CD1 3.78Å; F30-I127 HydrophobicContact CD1-CG1 4.32Å; F30-I127 HydrophobicContact CE1-CD1 4.34Å
31V84.5Confident85.8Confident25 Ų2566.7 Ų66.715%0.15235%0.345CS..EExtended strand (participates in β ladder)trans-112115.7-179.8-168.60000109S29 Q35 K36 E124 V125 Q126 I127S29-V31 PolarHBondContact O-N 3.4Å; V31-Q35 VanDerWaalsContact CA-O 3.27Å; V31-Q35 WeakPolarHBondContact CA-O 3.19Å; V31-K36 HydrophobicContact CG1-CG 4.29Å; V31-K36 HydrophobicContact CG2-CD 4.25Å; V31-K36 HydrophobicContact CG2-CG 3.96Å; V31-E124 HydrophobicContact CG2-CB 4.19Å; V31-E124 HydrophobicContact CG2-CG 4.46Å; V31-V125 PolarHBondContact N-O 2.95Å; V31-Q126 HydrophobicContact CB-CG 4.34Å; V31-Q126 WeakPolarHBondContact O-CA 3.24Å; V31-I127 PolarHBondContact O-N 2.88Å; V31-I127 VanDerWaalsContact O-N 3.12Å
32Q79Confident85.9Confident85 Ų8565.3 Ų65.340%0.39734%0.338SS..EExtended strand (participates in β ladder)trans-137.3126.2176.8-167.618017.900109.7G34 Q35Q32-G34 PolarHBondContact O-N 3.4Å; Q32-G34 VanDerWaalsContact O-N 3.08Å; Q32-Q35 PolarHBondContact N-O 3.28Å; Q32-Q35 PolarHBondContact O-N 3.35Å
33N72.4Confident85.9Confident121 Ų12164.5 Ų64.565%0.64734%0.335SS*.THydrogen-bonded Turntrans47.837.7-178.7-60.9-27.3000113.9Q35 K131N33-Q35 VanDerWaalsContact C-N 3.31Å; N33-Q35 PolarHBondContact O-N 3.42Å; N33-K131 PolarHBondContact ND2-NZ 2.77Å
34G71.3Confident86Confident71 Ų7166.7 Ų66.773%0.73233%0.332SS*.THydrogen-bonded Turntrans83.6-8.3-179.700000115.7Q32Q32-G34 PolarHBondContact O-N 3.4Å; Q32-G34 VanDerWaalsContact O-N 3.08Å
35Q78.8Confident86Confident159 Ų15962.7 Ų62.774%0.74332%0.315SS*.EExtended strand (participates in β ladder)trans-85.9137.3173.5-64.3-178.3-6.600110.5V31 Q32 N33V31-Q35 VanDerWaalsContact CA-O 3.27Å; V31-Q35 WeakPolarHBondContact CA-O 3.19Å; Q32-Q35 PolarHBondContact N-O 3.28Å; Q32-Q35 PolarHBondContact O-N 3.35Å; N33-Q35 VanDerWaalsContact C-N 3.31Å; N33-Q35 PolarHBondContact O-N 3.42Å
36K82Confident86.1Confident129 Ų12959.1 Ų59.156%0.56130%0.301SS*.EExtended strand (participates in β ladder)trans-111.4119.3176-61.2-162.8177.7-176.10110.7F30 V31 E124F30-K36 CarbonylContact O-C 3.5Å; F30-K36 VanDerWaalsContact O-CA 3.3Å; F30-K36 WeakPolarHBondContact O-CA 3.23Å; V31-K36 HydrophobicContact CG1-CG 4.29Å; V31-K36 HydrophobicContact CG2-CD 4.25Å; V31-K36 HydrophobicContact CG2-CG 3.96Å; K36-E124 IonicContact NZ-OE1 2.79Å; K36-E124 PolarHBondContact NZ-OE1 2.87Å
37L85.3Confident86Confident99 Ų9961 Ų6152%0.51831%0.309SS..EExtended strand (participates in β ladder)trans-108.9117.4172.9179.768.8000109.7S29 F30S29-L37 CarbonylContact C-O 3.54Å; S29-L37 WeakPolarHBondContact CA-O 3.18Å; F30-L37 HydrophobicContact CB-CB 4.43Å; F30-L37 PolarHBondContact N-O 2.71Å; F30-L37 PolarHBondContact O-N 2.96Å
38K86.7Confident85.7Confident174 Ų17460.1 Ų60.176%0.75730%0.304SS*.EExtended strand (participates in β ladder)trans-78.6125.9171.5-66.6-174.2178.7-1760109.4V28V28-K38 WeakPolarHBondContact O-CA 3.48Å
39A87.8Confident85.4Confident11 Ų1162.9 Ų62.99%0.09132%0.319CS..EExtended strand (participates in β ladder)trans-143.8165.4175.300000110V28 F30V28-A39 PolarHBondContact N-O 3.18Å; V28-A39 PolarHBondContact O-N 3.26Å; F30-A39 HydrophobicContact CD2-CB 4.1Å; F30-A39 HydrophobicContact CE2-CB 4.04Å
40Y89.3Confident84.6Confident139 Ų13966.2 Ų66.255%0.54534%0.335SS..EExtended strand (participates in β ladder)trans-101.1130.2171-76.1-87.3000109.7K25 L26 P27K25-Y40 HydrophobicContact CG-CD1 4.02Å; K25-Y40 HydrophobicContact CG-CG 4.29Å; L26-Y40 WeakPolarHBondContact O-CA 3.04Å; P27-Y40 HydrophobicContact CB-CD1 4.25Å; P27-Y40 HydrophobicContact CB-CE1 3.85Å; P27-Y40 HydrophobicContact CG-CE1 4.47Å
41V89.8Confident83.7Confident1 Ų170.2 Ų70.21%0.00636%0.362CS..EExtended strand (participates in β ladder)trans-117.4142.5178-52.40000109.7K25 L26 V28 F30 F43 V64 T65 R66K25-V41 CarbonylContact C-O 3.58Å; K25-V41 WeakPolarHBondContact CA-O 3.48Å; L26-V41 HydrophobicContact CB-CG2 4.34Å; L26-V41 PolarHBondContact N-O 2.76Å; L26-V41 PolarHBondContact O-N 2.91Å; V28-V41 HydrophobicContact CB-CG1 4.19Å; V28-V41 HydrophobicContact CB-CG2 4.2Å; V28-V41 HydrophobicContact CG2-CG1 4.33Å; V28-V41 HydrophobicContact CG2-CG2 3.43Å; V28-V41 VanDerWaalsContact CG2-CG2 3.43Å; F30-V41 HydrophobicContact CE2-CG1 3.52Å; F30-V41 HydrophobicContact CZ-CG1 3.53Å; V41-F43 PolarHBondContact O-N 3.23Å; V41-V64 HydrophobicContact CB-CG1 3.57Å; V41-V64 HydrophobicContact CG1-CG1 4.09Å; V41-V64 HydrophobicContact CG2-CG1 3.59Å; V41-T65 CarbonylContact C-O 3.6Å; V41-T65 VanDerWaalsContact CA-O 3.31Å; V41-T65 WeakPolarHBondContact CA-O 3.49Å; V41-R66 HydrophobicContact CB-CG 4.41Å; V41-R66 HydrophobicContact CG1-CG 3.9Å
42N90.7Very high82.5Confident35 Ų3572.2 Ų72.219%0.18738%0.375CS..EExtended strand (participates in β ladder)trans-81.2106.4167.9-69.5-45.3000108.2V64 T65N42-V64 WeakPolarHBondContact O-CA 3.29Å; N42-T65 WeakPolarHBondContact CB-OG1 3.29Å; N42-T65 PolarHBondContact N-O 3.26Å; N42-T65 PolarHBondContact O-N 3.32Å
43F91.9Very high81.5Confident2 Ų273.3 Ų73.31%0.00940%0.398CS..EExtended strand (participates in β ladder)trans-94.2124.9176.3-172.7-79.7000109.1Y22 A23 K24 L26 V41 L45 V62 V64 L103 L107 L143Y22-F43 AromaticContact CD1-CD1 3.83Å; Y22-F43 HydrophobicContact CD1-CD1 3.83Å; Y22-F43 HydrophobicContact CD1-CE1 4.34Å; Y22-F43 HydrophobicContact CE1-CD1 4.21Å; A23-F43 WeakPolarHBondContact CA-O 3.36Å; K24-F43 PolarHBondContact N-O 2.94Å; K24-F43 VanDerWaalsContact N-O 3.1Å; K24-F43 PolarHBondContact O-N 3.36Å; L26-F43 HydrophobicContact CD1-CB 3.5Å; L26-F43 HydrophobicContact CD1-CD1 4.43Å; L26-F43 HydrophobicContact CD1-CD2 4.21Å; L26-F43 HydrophobicContact CD1-CG 3.82Å; L26-F43 HydrophobicContact CG-CB 3.95Å; V41-F43 PolarHBondContact O-N 3.23Å; F43-L45 HydrophobicContact CE1-CB 4.01Å; F43-V62 HydrophobicContact CD2-CG1 4.36Å; F43-V62 HydrophobicContact CE1-CG1 4.33Å; F43-V62 HydrophobicContact CE2-CG1 3.51Å; F43-V62 HydrophobicContact CZ-CG1 3.51Å; F43-V62 HydrophobicContact CZ-CG2 4.35Å; F43-V64 HydrophobicContact CD2-CG2 3.69Å; F43-V64 HydrophobicContact CE2-CG2 4.1Å; F43-L103 HydrophobicContact CZ-CD2 4.39Å; F43-L107 HydrophobicContact CD1-CD1 3.77Å; F43-L107 HydrophobicContact CE1-CD1 3.42Å; F43-L107 VanDerWaalsContact CE1-CD1 3.42Å; F43-L107 HydrophobicContact CE2-CD1 4.34Å; F43-L107 HydrophobicContact CG-CD1 4.33Å; F43-L107 HydrophobicContact CZ-CD1 3.75Å; F43-L143 HydrophobicContact CE2-CD2 3.85Å
44K92Very high80.9Confident111 Ų11175.8 Ų75.848%0.48341%0.406SS..EExtended strand (participates in β ladder)trans-123.2126.8176.1-66.8-174.9178.9-178.50109.8Y22 A23 V62 K63Y22-K44 CarbonylContact O-C 3.46Å; Y22-K44 VanDerWaalsContact O-CA 3.29Å; Y22-K44 WeakPolarHBondContact O-CA 3.39Å; A23-K44 HydrophobicContact CB-CG 4.07Å; K44-V62 CarbonylContact O-C 3.56Å; K44-V62 WeakPolarHBondContact O-CA 3.45Å; K44-K63 HydrophobicContact CB-CB 4.34Å; K44-K63 PolarHBondContact N-O 2.98Å; K44-K63 PolarHBondContact O-N 3.17Å
45L92.6Very high80.4Confident3 Ų378 Ų782%0.01640%0.401CS..EExtended strand (participates in β ladder)trans-114.3121.7171.218066.7000107.9L21 Y22 F43 S61 V62 P100 L103 I104L21-L45 HydrophobicContact CB-CD2 4.17Å; L21-L45 HydrophobicContact CB-CG 4.19Å; L21-L45 HydrophobicContact CD1-CD2 4.23Å; L21-L45 HydrophobicContact CD1-CG 4.33Å; L21-L45 PolarHBondContact N-O 2.93Å; Y22-L45 PolarHBondContact N-O 3.31Å; Y22-L45 VanDerWaalsContact N-O 3.15Å; Y22-L45 PolarHBondContact O-N 2.67Å; F43-L45 HydrophobicContact CE1-CB 4.01Å; L45-S61 WeakPolarHBondContact CA-O 3.21Å; L45-V62 HydrophobicContact CD1-CG2 3.73Å; L45-P100 HydrophobicContact CD2-CB 4.25Å; L45-L103 HydrophobicContact CD1-CD2 4.48Å; L45-L103 HydrophobicContact CD2-CD2 4.28Å; L45-I104 HydrophobicContact CD2-CD1 4.24Å; L45-I104 HydrophobicContact CD2-CG1 4.15Å
46S91.3Very high79.8Confident14 Ų1476.1 Ų76.110%0.09840%0.395CS..EExtended strand (participates in β ladder)trans-119.7149.2170.448.60000110.5D18 I19 S61D18-S46 VanDerWaalsContact CG-OG 3.27Å; D18-S46 PolarHBondContact OD2-OG 3.31Å; I19-S46 CarbonylContact O-C 3.56Å; I19-S46 WeakPolarHBondContact O-CA 3.29Å; S46-S61 PolarHBondContact N-O 3.37Å; S46-S61 PolarHBondContact O-N 2.84Å; S46-S61 WeakPolarHBondContact OG-CB 3.12Å
47K88.8Confident79.3Confident39 Ų3971.7 Ų71.717%0.1738%0.378CS..EExtended strand (participates in β ladder)trans-115.7127.3173.4177.5177.8-177.4171.70108.4T17 D18 I19 L21 K59 L60T17-K47 VanDerWaalsContact O-O 3.09Å; D18-K47 CarbonylContact C-O 3.51Å; D18-K47 WeakPolarHBondContact CA-O 3.38Å; I19-K47 PolarHBondContact N-O 3.05Å; I19-K47 PolarHBondContact O-N 3.43Å; L21-K47 HydrophobicContact CD1-CB 3.63Å; L21-K47 HydrophobicContact CD1-CD 4.38Å; L21-K47 HydrophobicContact CD2-CB 4.39Å; L21-K47 HydrophobicContact CG-CB 3.94Å; K47-K59 CarbonylContact C-O 3.53Å; K47-K59 WeakPolarHBondContact CA-O 3.29Å; K47-L60 HydrophobicContact CB-CD2 3.88Å; K47-L60 HydrophobicContact CD-CD2 4.46Å; K47-L60 HydrophobicContact CG-CD2 4.06Å
48A84.9Confident79.1Confident10 Ų1068.8 Ų68.88%0.08336%0.361CS..EExtended strand (participates in β ladder)trans-119.8154.317100000111.6T17 D18 K59T17-A48 VanDerWaalsContact O-CA 3.26Å; T17-A48 WeakPolarHBondContact O-CA 3.33Å; D18-A48 WeakPolarHBondContact OD1-CB 3.5Å; A48-K59 PolarHBondContact N-O 2.77Å; A48-K59 PolarHBondContact O-N 2.8Å
49L80.6Confident78.9Confident60 Ų6063.2 Ų63.231%0.31434%0.337SS..EExtended strand (participates in β ladder)trans-98.9119.9164-69.298.4000108.1P51 L56 L57 Q58L49-P51 WeakPolarHBondContact O-CD 3.21Å; L49-L56 HydrophobicContact CD2-CB 4.15Å; L49-L56 HydrophobicContact CD2-CD1 4.21Å; L49-L57 CarbonylContact C-O 3.51Å; L49-L57 WeakPolarHBondContact CA-O 3.05Å; L49-Q58 HydrophobicContact CD2-CG 4.36Å; L49-Q58 HydrophobicContact CG-CG 4.3Å
50L70.7Confident79Confident86 Ų8662.8 Ų62.845%0.4533%0.333SS..EExtended strand (participates in β ladder)trans-92.3114.5173.2-170.769.5000108.9T52 L57L50-T52 PolarHBondContact O-N 3.26Å; L50-T52 VanDerWaalsContact O-N 3.17Å; L50-L57 HydrophobicContact CB-CB 4.47Å; L50-L57 PolarHBondContact N-O 3.37Å; L50-L57 PolarHBondContact O-N 3.35Å
51P67.9Low79Confident100 Ų10056.5 Ų56.565%0.64931%0.31SS*.EExtended strand (participates in β ladder)trans-67.4113.317325.4-30.5000110.2L49 L56L49-P51 WeakPolarHBondContact O-CD 3.21Å; P51-L56 HydrophobicContact CB-CD2 4.28Å
52T58.2Low79.1Confident68 Ų6856.5 Ų56.542%0.41731%0.31SS..  trans-107.4156.5171-44.50000108.7L50 E54 N55 L57L50-T52 PolarHBondContact O-N 3.26Å; L50-T52 VanDerWaalsContact O-N 3.17Å; T52-E54 PolarHBondContact O-N 2.94Å; T52-N55 CarbonylContact C-O 3.57Å; T52-N55 WeakPolarHBondContact CA-O 3.46Å; T52-N55 WeakPolarHBondContact CB-O 3.44Å; T52-N55 PolarHBondContact N-O 2.77Å; T52-N55 PolarHBondContact O-N 2.98Å; T52-N55 VanDerWaalsContact O-O 3.13Å; T52-L57 HydrophobicContact CG2-CD1 4.39Å; T52-L57 WeakPolarHBondContact OG1-CD1 3.43Å; T52-L57 WeakPolarHBondContact OG1-CG 3.42Å
53A59.1Low79.1Confident107 Ų10758.9 Ų58.988%0.88432%0.318SS*.SBendtrans-52.4-27.3-169.600000115.4
54E60.1Low78.9Confident174 Ų17458.8 Ų58.881%0.81332%0.318SS*.SBendtrans-121.2-14.7-178.4-64.6-177.2168.400113.7T52T52-E54 PolarHBondContact O-N 2.94Å
55N59.8Low78.8Confident118 Ų11854.1 Ų54.163%0.63130%0.299SS*.SBendtrans-155.3151.7-174.3-77.7-51.3000112.3T52 L57T52-N55 CarbonylContact C-O 3.57Å; T52-N55 WeakPolarHBondContact CA-O 3.46Å; T52-N55 WeakPolarHBondContact CB-O 3.44Å; T52-N55 PolarHBondContact N-O 2.77Å; T52-N55 PolarHBondContact O-N 2.98Å; T52-N55 VanDerWaalsContact O-O 3.13Å; N55-L57 PolarHBondContact O-N 2.83Å
56L65.3Low78.5Confident119 Ų11955.9 Ų55.962%0.62331%0.305SS*.EExtended strand (participates in β ladder)trans-80103.4167.5-68.2168.8000108.7L49 P51L49-L56 HydrophobicContact CD2-CB 4.15Å; L49-L56 HydrophobicContact CD2-CD1 4.21Å; P51-L56 HydrophobicContact CB-CD2 4.28Å
57L72Confident78Confident36 Ų3661 Ų6119%0.18833%0.328CS..EExtended strand (participates in β ladder)trans-78.3135.4173-73.7177.9000109.2L49 L50 T52 N55L49-L57 CarbonylContact C-O 3.51Å; L49-L57 WeakPolarHBondContact CA-O 3.05Å; L50-L57 HydrophobicContact CB-CB 4.47Å; L50-L57 PolarHBondContact N-O 3.37Å; L50-L57 PolarHBondContact O-N 3.35Å; T52-L57 HydrophobicContact CG2-CD1 4.39Å; T52-L57 WeakPolarHBondContact OG1-CD1 3.43Å; T52-L57 WeakPolarHBondContact OG1-CG 3.42Å; N55-L57 PolarHBondContact O-N 2.83Å
58Q80.5Confident77.6Confident37 Ų3764.4 Ų64.417%0.17335%0.347CS..EExtended strand (participates in β ladder)trans-92.7130.1174.4-66.8-176.510.600109.6L49 F96 Q97L49-Q58 HydrophobicContact CD2-CG 4.36Å; L49-Q58 HydrophobicContact CG-CG 4.3Å; Q58-F96 HydrophobicContact CB-CD1 4.42Å; Q58-F96 HydrophobicContact CB-CE1 3.58Å; Q58-F96 HydrophobicContact CB-CZ 4.36Å; Q58-F96 WeakPolarHBondContact O-CZ 3.26Å; Q58-Q97 VanDerWaalsContact CD-NE2 3.29Å; Q58-Q97 VanDerWaalsContact OE1-CD 3.32Å
59K84.5Confident77.4Confident58 Ų5866.6 Ų66.625%0.25236%0.358SS..EExtended strand (participates in β ladder)trans-113.5132.9179.5167169.2169.1166.50109.5K47 A48 S61 T77 L79K47-K59 CarbonylContact C-O 3.53Å; K47-K59 WeakPolarHBondContact CA-O 3.29Å; A48-K59 PolarHBondContact N-O 2.77Å; A48-K59 PolarHBondContact O-N 2.8Å; K59-S61 WeakPolarHBondContact CE-OG 3.38Å; K59-T77 HydrophobicContact CD-CG2 3.58Å; K59-T77 VanDerWaalsContact CE-OG1 3.25Å; K59-T77 WeakPolarHBondContact CE-OG1 3.18Å; K59-T77 HydrophobicContact CG-CG2 3.85Å; K59-T77 PolarHBondContact NZ-OG1 2.83Å; K59-T77 VanDerWaalsContact NZ-OG1 3.11Å; K59-L79 HydrophobicContact CB-CD2 4Å; K59-L79 HydrophobicContact CD-CD2 4.47Å; K59-L79 HydrophobicContact CG-CD2 4.29Å
60L90Very high77.3Confident1 Ų166.8 Ų66.81%0.00536%0.363CS..EExtended strand (participates in β ladder)trans-104.1129.1166.1-64.4167.2000109L21 K47 T77 I78 F96 F99 P100L21-L60 HydrophobicContact CD1-CD2 4.19Å; K47-L60 HydrophobicContact CB-CD2 3.88Å; K47-L60 HydrophobicContact CD-CD2 4.46Å; K47-L60 HydrophobicContact CG-CD2 4.06Å; L60-T77 WeakPolarHBondContact O-CA 3.16Å; L60-I78 HydrophobicContact CB-CB 4.3Å; L60-I78 PolarHBondContact N-O 2.91Å; L60-I78 PolarHBondContact O-N 2.78Å; L60-F96 HydrophobicContact CD1-CE1 4.5Å; L60-F96 HydrophobicContact CD1-CE2 3.76Å; L60-F96 HydrophobicContact CD1-CZ 3.75Å; L60-F96 HydrophobicContact CG-CE2 4.29Å; L60-F96 HydrophobicContact CG-CZ 3.82Å; L60-F99 HydrophobicContact CD1-CD1 3.95Å; L60-F99 HydrophobicContact CD1-CE1 4.39Å; L60-P100 HydrophobicContact CD1-CG 3.68Å; L60-P100 HydrophobicContact CD2-CB 4.32Å; L60-P100 HydrophobicContact CD2-CG 3.62Å; L60-P100 HydrophobicContact CG-CG 4.28Å
61S89.2Confident77.8Confident7 Ų768.1 Ų68.15%0.04937%0.37CS..EExtended strand (participates in β ladder)trans-113.4121.1177.1-57.40000108.5L45 S46 K59 T76L45-S61 WeakPolarHBondContact CA-O 3.21Å; S46-S61 PolarHBondContact N-O 3.37Å; S46-S61 PolarHBondContact O-N 2.84Å; S46-S61 WeakPolarHBondContact OG-CB 3.12Å; K59-S61 WeakPolarHBondContact CE-OG 3.38Å; S61-T76 WeakPolarHBondContact CA-O 3.45Å
62V90.7Very high78.6Confident1 Ų164.6 Ų64.61%0.00635%0.345CS..EExtended strand (participates in β ladder)trans-105.8130.4172.8177.50000107.8F43 K44 L45 V64 T75 T76 L161F43-V62 HydrophobicContact CD2-CG1 4.36Å; F43-V62 HydrophobicContact CE1-CG1 4.33Å; F43-V62 HydrophobicContact CE2-CG1 3.51Å; F43-V62 HydrophobicContact CZ-CG1 3.51Å; F43-V62 HydrophobicContact CZ-CG2 4.35Å; K44-V62 CarbonylContact O-C 3.56Å; K44-V62 WeakPolarHBondContact O-CA 3.45Å; L45-V62 HydrophobicContact CD1-CG2 3.73Å; V62-V64 HydrophobicContact CG1-CG2 4.21Å; V62-T75 CarbonylContact O-C 3.51Å; V62-T75 VanDerWaalsContact O-CA 3.24Å; V62-T75 WeakPolarHBondContact O-CA 3.32Å; V62-T76 HydrophobicContact CB-CG2 3.77Å; V62-T76 HydrophobicContact CG2-CG2 4.04Å; V62-T76 PolarHBondContact N-O 3.09Å; V62-T76 PolarHBondContact O-N 3.3Å; V62-L161 HydrophobicContact CB-CD2 4.39Å; V62-L161 HydrophobicContact CG1-CD2 3.99Å
63K90Very high80Confident85 Ų8561.9 Ų61.937%0.3733%0.328SS..EExtended strand (participates in β ladder)trans-127.4129.9173.6-66.4-179.8-178175.50109.2K44 L74K44-K63 HydrophobicContact CB-CB 4.34Å; K44-K63 PolarHBondContact N-O 2.98Å; K44-K63 PolarHBondContact O-N 3.17Å; K63-L74 CarbonylContact C-O 3.48Å; K63-L74 WeakPolarHBondContact CA-O 3.25Å
64V89.8Confident81.4Confident0 Ų057.2 Ų57.20%029%0.288CS..EExtended strand (participates in β ladder)trans-121.8120.5176.7-175.90000108.2V41 N42 F43 V62 L74 L161V41-V64 HydrophobicContact CB-CG1 3.57Å; V41-V64 HydrophobicContact CG1-CG1 4.09Å; V41-V64 HydrophobicContact CG2-CG1 3.59Å; N42-V64 WeakPolarHBondContact O-CA 3.29Å; F43-V64 HydrophobicContact CD2-CG2 3.69Å; F43-V64 HydrophobicContact CE2-CG2 4.1Å; V62-V64 HydrophobicContact CG1-CG2 4.21Å; V64-L74 HydrophobicContact CB-CB 4.25Å; V64-L74 PolarHBondContact N-O 3.25Å; V64-L74 PolarHBondContact O-N 2.8Å; V64-L161 HydrophobicContact CG2-CD1 4.2Å
65T88.5Confident82.8Confident13 Ų1349.4 Ų49.48%0.0825%0.252CS..EExtended strand (participates in β ladder)trans-126.1167.717863.90000112.3V41 N42 L72 L73V41-T65 CarbonylContact C-O 3.6Å; V41-T65 VanDerWaalsContact CA-O 3.31Å; V41-T65 WeakPolarHBondContact CA-O 3.49Å; N42-T65 WeakPolarHBondContact CB-OG1 3.29Å; N42-T65 PolarHBondContact N-O 3.26Å; N42-T65 PolarHBondContact O-N 3.32Å; T65-L72 WeakPolarHBondContact CA-O 3.44Å; T65-L73 HydrophobicContact CG2-CD1 3.37Å
66R85.7Confident84.3Confident40 Ų4044.7 Ų44.715%0.15123%0.228CC..  trans-128148.5174.1-87174.475.7-178.1-0.2110.6V41 D68 D69 L72V41-R66 HydrophobicContact CB-CG 4.41Å; V41-R66 HydrophobicContact CG1-CG 3.9Å; R66-D68 WeakPolarHBondContact CB-OD1 3.45Å; R66-D68 IonicContact CZ-OD1 3.33Å; R66-D68 IonicContact CZ-OD2 2.89Å; R66-D68 IonicContact NE-OD1 3.24Å; R66-D68 PolarHBondContact NE-OD1 3.45Å; R66-D68 IonicContact NE-OD2 3.25Å; R66-D68 IonicContact NH2-OD1 2.8Å; R66-D68 PolarHBondContact NH2-OD1 3.31Å; R66-D68 IonicContact NH2-OD2 3.48Å; R66-D68 PolarHBondContact NH2-OD2 2.66Å; R66-D69 HydrophobicContact CB-CB 4.28Å; R66-L72 HydrophobicContact CB-CB 4.47Å; R66-L72 HydrophobicContact CB-CD2 4.22Å; R66-L72 HydrophobicContact CG-CD2 3.7Å
67E81.4Confident85.4Confident122 Ų12241.4 Ų41.457%0.5721%0.213SC*.SBendtrans-78.2-35.5174.9-77.3163.4-149.400111.8K25K25-E67 IonicContact NZ-OE1 2.67Å; K25-E67 PolarHBondContact NZ-OE1 3.16Å; K25-E67 IonicContact NZ-OE2 2.66Å; K25-E67 PolarHBondContact NZ-OE2 3.24Å
68D80.1Confident86.3Confident110 Ų11040.1 Ų40.159%0.58821%0.206SC*.SBendtrans-84-18.7-178.159.9-32000113.3R66R66-D68 WeakPolarHBondContact CB-OD1 3.45Å; R66-D68 IonicContact CZ-OD1 3.33Å; R66-D68 IonicContact CZ-OD2 2.89Å; R66-D68 IonicContact NE-OD1 3.24Å; R66-D68 PolarHBondContact NE-OD1 3.45Å; R66-D68 IonicContact NE-OD2 3.25Å; R66-D68 IonicContact NH2-OD1 2.8Å; R66-D68 PolarHBondContact NH2-OD1 3.31Å; R66-D68 IonicContact NH2-OD2 3.48Å; R66-D68 PolarHBondContact NH2-OD2 2.66Å
69D81.7Confident86.5Confident56 Ų5640.6 Ų40.630%0.29921%0.21SC..  trans-130.590.4172.4-174.60.9000110.3R66 L71 L72R66-D69 HydrophobicContact CB-CB 4.28Å; D69-L71 PolarHBondContact O-N 2.89Å; D69-L71 VanDerWaalsContact O-N 3.15Å; D69-L71 WeakPolarHBondContact OD1-CB 3.38Å; D69-L71 PolarHBondContact OD1-N 3.33Å; D69-L72 HydrophobicContact CB-CB 4.23Å; D69-L72 PolarHBondContact O-N 3.09Å; D69-L72 VanDerWaalsContact O-N 3.11Å; D69-L72 PolarHBondContact OD1-N 3.32Å
70P77.9Confident86.5Confident64 Ų6440.6 Ų40.642%0.41621%0.211SC..THydrogen-bonded Turntrans-62.5-17.2177.8-22.233.3000113.8L173P70-L173 HydrophobicContact CB-CD2 3.83Å
71L81.2Confident86.2Confident115 Ų11545 Ų4560%0.60223%0.231SC*.THydrogen-bonded Turntrans-83.1-18.4178.9-58.1176.6000111.9D69 L73 L169 L173D69-L71 PolarHBondContact O-N 2.89Å; D69-L71 VanDerWaalsContact O-N 3.15Å; D69-L71 WeakPolarHBondContact OD1-CB 3.38Å; D69-L71 PolarHBondContact OD1-N 3.33Å; L71-L73 PolarHBondContact O-N 3.02Å; L71-L169 HydrophobicContact CD2-CD2 4.42Å; L71-L173 HydrophobicContact CD2-CD1 4.29Å
72L85.6Confident86Confident25 Ų2548 Ų4813%0.13125%0.247CC..  trans-75.298.1174.1-17280.9000110F30 T65 R66 D69 L74F30-L72 HydrophobicContact CE1-CD2 4.12Å; F30-L72 HydrophobicContact CZ-CD2 3.67Å; T65-L72 WeakPolarHBondContact CA-O 3.44Å; R66-L72 HydrophobicContact CB-CB 4.47Å; R66-L72 HydrophobicContact CB-CD2 4.22Å; R66-L72 HydrophobicContact CG-CD2 3.7Å; D69-L72 HydrophobicContact CB-CB 4.23Å; D69-L72 PolarHBondContact O-N 3.09Å; D69-L72 VanDerWaalsContact O-N 3.11Å; D69-L72 PolarHBondContact OD1-N 3.32Å; L72-L74 HydrophobicContact CD1-CD1 4.35Å; L72-L74 HydrophobicContact CD1-CD2 4.5Å; L72-L74 HydrophobicContact CD1-CG 4.15Å; L72-L74 HydrophobicContact CG-CG 4.48Å
73L87.2Confident85.9Confident11 Ų1148 Ų486%0.05825%0.246CC..EExtended strand (participates in β ladder)trans-125.9101.2167.4179.263.4000108.9T65 L71 A164 Q168 L169 H172T65-L73 HydrophobicContact CG2-CD1 3.37Å; L71-L73 PolarHBondContact O-N 3.02Å; L73-A164 HydrophobicContact CB-CB 3.98Å; L73-A164 HydrophobicContact CD2-CB 3.44Å; L73-A164 VanDerWaalsContact CD2-CB 3.44Å; L73-A164 HydrophobicContact CG-CB 3.47Å; L73-A164 VanDerWaalsContact CG-CB 3.47Å; L73-A164 WeakPolarHBondContact O-CB 3.39Å; L73-A164 PolarHBondContact O-N 3.47Å; L73-Q168 HydrophobicContact CD2-CB 4.41Å; L73-L169 HydrophobicContact CB-CD1 3.96Å; L73-L169 HydrophobicContact CD2-CB 4.39Å; L73-L169 HydrophobicContact CD2-CD1 4.33Å; L73-H172 HydrophobicContact CD2-CB 4.1Å
74L88.7Confident85.7Confident10 Ų1049.7 Ų49.75%0.05225%0.251CS..EExtended strand (participates in β ladder)trans-97.7131.8172.4-59.6174.2000108.9F30 K63 V64 L72 V125 A141 L161 Q162F30-L74 HydrophobicContact CE1-CD1 4.5Å; K63-L74 CarbonylContact C-O 3.48Å; K63-L74 WeakPolarHBondContact CA-O 3.25Å; V64-L74 HydrophobicContact CB-CB 4.25Å; V64-L74 PolarHBondContact N-O 3.25Å; V64-L74 PolarHBondContact O-N 2.8Å; L72-L74 HydrophobicContact CD1-CD1 4.35Å; L72-L74 HydrophobicContact CD1-CD2 4.5Å; L72-L74 HydrophobicContact CD1-CG 4.15Å; L72-L74 HydrophobicContact CG-CG 4.48Å; L74-V125 HydrophobicContact CD1-CG1 4.22Å; L74-A141 HydrophobicContact CD1-CB 3.87Å; L74-A141 HydrophobicContact CD2-CB 4.08Å; L74-L161 HydrophobicContact CB-CB 4.21Å; L74-L161 HydrophobicContact CB-CD1 4.17Å; L74-L161 HydrophobicContact CD1-CD1 4.24Å; L74-Q162 WeakPolarHBondContact CA-O 3.31Å
75T89.6Confident85.6Confident9 Ų958.7 Ų58.76%0.05529%0.285CS..EExtended strand (participates in β ladder)trans-132.4147.9-175.7-176.70000110.3V62 Q162 A164V62-T75 CarbonylContact O-C 3.51Å; V62-T75 VanDerWaalsContact O-CA 3.24Å; V62-T75 WeakPolarHBondContact O-CA 3.32Å; T75-Q162 HydrophobicContact CG2-CG 4.29Å; T75-Q162 PolarHBondContact N-O 3.45Å; T75-Q162 VanDerWaalsContact O-CG 3.28Å; T75-Q162 WeakPolarHBondContact O-CG 3.11Å; T75-Q162 PolarHBondContact O-N 3.05Å; T75-A164 HydrophobicContact CG2-CB 3.8Å
76T91Very high85.4Confident19 Ų1959 Ų5912%0.11729%0.286CS..EExtended strand (participates in β ladder)trans-142.2153.8162.3-163.30000110.4S61 V62 I78 I159 E160 L161S61-T76 WeakPolarHBondContact CA-O 3.45Å; V62-T76 HydrophobicContact CB-CG2 3.77Å; V62-T76 HydrophobicContact CG2-CG2 4.04Å; V62-T76 PolarHBondContact N-O 3.09Å; V62-T76 PolarHBondContact O-N 3.3Å; T76-I78 HydrophobicContact CG2-CD1 4.24Å; T76-I78 HydrophobicContact CG2-CG1 4.08Å; T76-I159 HydrophobicContact CG2-CG2 3.54Å; T76-E160 WeakPolarHBondContact CB-O 3.43Å; T76-E160 PolarHBondContact OG1-O 3.13Å; T76-L161 HydrophobicContact CG2-CD2 3.75Å
77T88.7Confident85.5Confident50 Ų5060.1 Ų60.131%0.30729%0.292SS..EExtended strand (participates in β ladder)trans-119.7119.7172.9-70.70000107.2K59 L60 L79K59-T77 HydrophobicContact CD-CG2 3.58Å; K59-T77 VanDerWaalsContact CE-OG1 3.25Å; K59-T77 WeakPolarHBondContact CE-OG1 3.18Å; K59-T77 HydrophobicContact CG-CG2 3.85Å; K59-T77 PolarHBondContact NZ-OG1 2.83Å; K59-T77 VanDerWaalsContact NZ-OG1 3.11Å; L60-T77 WeakPolarHBondContact O-CA 3.16Å; T77-L79 HydrophobicContact CG2-CD2 4.18Å; T77-L79 HydrophobicContact CG2-CG 4.29Å
78I89.7Confident85.8Confident10 Ų1061.8 Ų61.85%0.05130%0.3CS..EExtended strand (participates in β ladder)trans-109.8108.4177.9-55.3168.7000107.1L60 T76 D82 F96 F99 I159L60-I78 HydrophobicContact CB-CB 4.3Å; L60-I78 PolarHBondContact N-O 2.91Å; L60-I78 PolarHBondContact O-N 2.78Å; T76-I78 HydrophobicContact CG2-CD1 4.24Å; T76-I78 HydrophobicContact CG2-CG1 4.08Å; I78-D82 HydrophobicContact CG2-CB 4.36Å; I78-F96 HydrophobicContact CG2-CE2 4.4Å; I78-F99 HydrophobicContact CD1-CE1 4.43Å; I78-I159 HydrophobicContact CD1-CG2 4.27Å
79L86.3Confident86.1Confident47 Ų4760 Ų6025%0.24630%0.296CS..  trans-85.2173.1169.8-58.8175.8000110.7K59 T77 E81 D82 Y83K59-L79 HydrophobicContact CB-CD2 4Å; K59-L79 HydrophobicContact CD-CD2 4.47Å; K59-L79 HydrophobicContact CG-CD2 4.29Å; T77-L79 HydrophobicContact CG2-CD2 4.18Å; T77-L79 HydrophobicContact CG2-CG 4.29Å; L79-E81 VanDerWaalsContact C-N 3.28Å; L79-E81 PolarHBondContact O-N 3.03Å; L79-D82 VanDerWaalsContact CB-OD2 3.29Å; L79-D82 WeakPolarHBondContact CB-OD2 3.49Å; L79-D82 PolarHBondContact N-OD2 2.8Å; L79-D82 PolarHBondContact O-N 2.74Å; L79-Y83 WeakPolarHBondContact O-CB 3.33Å; L79-Y83 PolarHBondContact O-N 3.12Å
80Q82.7Confident86.5Confident58 Ų5858.9 Ų58.927%0.27129%0.289SS..Hα-helixtrans-63.4-37.1178.7-172.3172.5-20.600111.4Y83 Y84Q80-Y83 WeakPolarHBondContact O-CB 3.35Å; Q80-Y83 PolarHBondContact O-N 3.36Å; Q80-Y84 HydrophobicContact CG-CD2 4.33Å; Q80-Y84 HydrophobicContact CG-CE2 3.66Å; Q80-Y84 PolarHBondContact NE2-OH 2.73Å; Q80-Y84 WeakPolarHBondContact O-CD2 3.23Å; Q80-Y84 PolarHBondContact O-N 3.12Å; Q80-Y84 VanDerWaalsContact O-N 3.16Å
81E83.6Confident86.8Confident94 Ų9460.6 Ų60.644%0.43930%0.302SS..Hα-helixtrans-66.1-44.7175.7-63.773.1-159.700112L79 Y83 Y84 R85L79-E81 VanDerWaalsContact C-N 3.28Å; L79-E81 PolarHBondContact O-N 3.03Å; E81-Y83 PolarHBondContact O-N 2.76Å; E81-Y84 PolarHBondContact O-N 3.25Å; E81-R85 PolarHBondContact O-N 3.24Å
82D86.9Confident87Confident69 Ų6956.4 Ų56.437%0.36928%0.28SS..Hα-helixtrans-62.4-38.1176.8-55.1-40.1000110.6I78 L79 R85 M86I78-D82 HydrophobicContact CG2-CB 4.36Å; L79-D82 VanDerWaalsContact CB-OD2 3.29Å; L79-D82 WeakPolarHBondContact CB-OD2 3.49Å; L79-D82 PolarHBondContact N-OD2 2.8Å; L79-D82 PolarHBondContact O-N 2.74Å; D82-R85 PolarHBondContact O-N 3.48Å; D82-M86 WeakPolarHBondContact O-CB 3.37Å; D82-M86 PolarHBondContact O-N 3.14Å
83Y87.7Confident87.1Confident1 Ų163.3 Ų63.30%0.00432%0.317CS..Hα-helixtrans-64.5-39.5176.7179.3-98.7000112.9L79 Q80 E81 R85 M86 K87 L92 V94 D95 F96 F99L79-Y83 WeakPolarHBondContact O-CB 3.33Å; L79-Y83 PolarHBondContact O-N 3.12Å; Q80-Y83 WeakPolarHBondContact O-CB 3.35Å; Q80-Y83 PolarHBondContact O-N 3.36Å; E81-Y83 PolarHBondContact O-N 2.76Å; Y83-R85 VanDerWaalsContact C-N 3.3Å; Y83-R85 PolarHBondContact O-N 3.34Å; Y83-M86 HydrophobicContact CD2-CE 3.5Å; Y83-M86 VanDerWaalsContact CD2-CE 3.5Å; Y83-M86 HydrophobicContact CE2-CE 3.79Å; Y83-M86 CarbonylContact O-C 3.54Å; Y83-M86 WeakPolarHBondContact O-CB 3.32Å; Y83-M86 PolarHBondContact O-N 3.49Å; Y83-K87 HydrophobicContact CE1-CB 4.21Å; Y83-K87 HydrophobicContact CE1-CD 4.07Å; Y83-K87 VanDerWaalsContact O-CB 3.23Å; Y83-K87 WeakPolarHBondContact O-CB 3.4Å; Y83-K87 PolarHBondContact O-N 3.19Å; Y83-L92 HydrophobicContact CE2-CD1 4.24Å; Y83-V94 VanDerWaalsContact OH-C 3.29Å; Y83-V94 WeakPolarHBondContact OH-CG2 3.27Å; Y83-V94 PolarHBondContact OH-O 2.83Å; Y83-D95 PolarHBondContact OH-O 2.86Å; Y83-F96 VanDerWaalsContact CB-CD2 3.44Å; Y83-F96 HydrophobicContact CD1-CB 3.79Å; Y83-F96 AromaticContact CD1-CD2 3.86Å; Y83-F96 HydrophobicContact CD1-CD2 3.86Å; Y83-F96 HydrophobicContact CD1-CG 4.34Å; Y83-F96 AromaticContact CD2-CD2 3.92Å; Y83-F96 HydrophobicContact CD2-CD2 3.92Å; Y83-F96 HydrophobicContact CE1-CB 4.03Å; Y83-F96 HydrophobicContact CG-CB 4.28Å; Y83-F96 AromaticContact CG-CD2 3.46Å; Y83-F96 HydrophobicContact CG-CD2 3.46Å; Y83-F96 VanDerWaalsContact CG-CD2 3.46Å; Y83-F96 HydrophobicContact CG-CE2 4.29Å; Y83-F96 HydrophobicContact CG-CG 4.36Å; Y83-F99 HydrophobicContact CD2-CB 4.37Å; Y83-F99 HydrophobicContact CD2-CD1 4.05Å; Y83-F99 HydrophobicContact CD2-CD2 4.49Å; Y83-F99 HydrophobicContact CD2-CE1 4.5Å; Y83-F99 HydrophobicContact CD2-CG 4.05Å; Y83-F99 HydrophobicContact CE2-CB 3.54Å; Y83-F99 AromaticContact CE2-CD1 3.82Å; Y83-F99 HydrophobicContact CE2-CD1 3.82Å; Y83-F99 AromaticContact CE2-CD2 3.57Å; Y83-F99 HydrophobicContact CE2-CD2 3.57Å; Y83-F99 HydrophobicContact CE2-CE1 4.44Å; Y83-F99 HydrophobicContact CE2-CE2 4.21Å; Y83-F99 AromaticContact CE2-CG 3.34Å; Y83-F99 HydrophobicContact CE2-CG 3.34Å
84Y86.4Confident87.1Confident121 Ų12164.7 Ų64.748%0.47533%0.325SS..Hα-helixtrans-61.8-40.2176.1-72.7-64.2000111.5Q80 E81 K87 E88Q80-Y84 HydrophobicContact CG-CD2 4.33Å; Q80-Y84 HydrophobicContact CG-CE2 3.66Å; Q80-Y84 PolarHBondContact NE2-OH 2.73Å; Q80-Y84 WeakPolarHBondContact O-CD2 3.23Å; Q80-Y84 PolarHBondContact O-N 3.12Å; Q80-Y84 VanDerWaalsContact O-N 3.16Å; E81-Y84 PolarHBondContact O-N 3.25Å; Y84-K87 WeakPolarHBondContact O-CB 3.28Å; Y84-K87 PolarHBondContact O-N 2.85Å; Y84-E88 PolarHBondContact O-N 2.79Å
85R86.5Confident87Confident188 Ų18867.8 Ų67.871%0.70934%0.342SS*.Hα-helixtrans-64.2-40.7173.4-63.7179.4178.7-95.2-0111.9E81 D82 Y83 K87 S89E81-R85 PolarHBondContact O-N 3.24Å; D82-R85 PolarHBondContact O-N 3.48Å; Y83-R85 VanDerWaalsContact C-N 3.3Å; Y83-R85 PolarHBondContact O-N 3.34Å; R85-K87 VanDerWaalsContact C-N 3.33Å; R85-S89 VanDerWaalsContact O-CB 3.32Å; R85-S89 WeakPolarHBondContact O-CB 3.38Å; R85-S89 PolarHBondContact O-N 3.02Å; R85-S89 PolarHBondContact O-OG 2.88Å
86M85.6Confident86.9Confident20 Ų2067.8 Ų67.810%0.09934%0.341CS..Hα-helixtrans-65.8-38.1175.4-166.1175.166.600111.7D82 Y83 S89 Q90 L92 F99D82-M86 WeakPolarHBondContact O-CB 3.37Å; D82-M86 PolarHBondContact O-N 3.14Å; Y83-M86 HydrophobicContact CD2-CE 3.5Å; Y83-M86 VanDerWaalsContact CD2-CE 3.5Å; Y83-M86 HydrophobicContact CE2-CE 3.79Å; Y83-M86 CarbonylContact O-C 3.54Å; Y83-M86 WeakPolarHBondContact O-CB 3.32Å; Y83-M86 PolarHBondContact O-N 3.49Å; M86-S89 WeakPolarHBondContact CA-OG 3.3Å; M86-S89 PolarHBondContact O-OG 3.31Å; M86-Q90 HydrophobicContact CG-CG 4.27Å; M86-Q90 VanDerWaalsContact O-CB 3.29Å; M86-Q90 WeakPolarHBondContact O-CB 3.45Å; M86-Q90 WeakPolarHBondContact O-CG 3.42Å; M86-Q90 PolarHBondContact O-N 3Å; M86-L92 HydrophobicContact CE-CD1 4.07Å; M86-L92 HydrophobicContact CG-CD1 4.37Å; M86-F99 HydrophobicContact CE-CD1 4.37Å; M86-F99 HydrophobicContact CE-CD2 4.37Å; M86-F99 HydrophobicContact CE-CE1 3.68Å; M86-F99 HydrophobicContact CE-CE2 3.66Å; M86-F99 HydrophobicContact CE-CZ 3.27Å; M86-F99 HydrophobicContact SD-CZ 4.42Å
87K86.4Confident86.7Confident64 Ų6471.3 Ų71.328%0.27836%0.357SS..Hα-helixtrans-64.3-44.9178.8-175.4177.4-179.5160.70111.1Y83 Y84 R85 S91 L92 V94Y83-K87 HydrophobicContact CE1-CB 4.21Å; Y83-K87 HydrophobicContact CE1-CD 4.07Å; Y83-K87 VanDerWaalsContact O-CB 3.23Å; Y83-K87 WeakPolarHBondContact O-CB 3.4Å; Y83-K87 PolarHBondContact O-N 3.19Å; Y84-K87 WeakPolarHBondContact O-CB 3.28Å; Y84-K87 PolarHBondContact O-N 2.85Å; R85-K87 VanDerWaalsContact C-N 3.33Å; K87-S91 CarbonylContact O-C 3.53Å; K87-S91 VanDerWaalsContact O-CA 3.29Å; K87-S91 WeakPolarHBondContact O-CA 3.22Å; K87-S91 PolarHBondContact O-N 3.47Å; K87-L92 HydrophobicContact CB-CB 4.48Å; K87-L92 WeakPolarHBondContact CE-O 3.41Å; K87-L92 HydrophobicContact CG-CB 4.1Å; K87-L92 WeakPolarHBondContact CG-O 3.45Å; K87-L92 PolarHBondContact O-N 2.86Å; K87-V94 WeakPolarHBondContact CE-O 3.15Å; K87-V94 PolarHBondContact NZ-O 2.89Å
88E87.8Confident86.6Confident157 Ų15771.5 Ų71.573%0.73436%0.36SS*.Hα-helixtrans-69.2-49.6175.9-71.4175.6-175.300112Y84 Q90 S91Y84-E88 PolarHBondContact O-N 2.79Å; E88-Q90 VanDerWaalsContact C-N 3.32Å; E88-Q90 PolarHBondContact O-N 3.11Å; E88-S91 PolarHBondContact O-N 2.92Å
89S87.8Confident86.7Confident73 Ų7371.2 Ų71.251%0.5136%0.358SS..Hα-helixtrans-65.6-32.2-176.855.80000113.8R85 M86R85-S89 VanDerWaalsContact O-CB 3.32Å; R85-S89 WeakPolarHBondContact O-CB 3.38Å; R85-S89 PolarHBondContact O-N 3.02Å; R85-S89 PolarHBondContact O-OG 2.88Å; M86-S89 WeakPolarHBondContact CA-OG 3.3Å; M86-S89 PolarHBondContact O-OG 3.31Å
90Q88.5Confident86.9Confident32 Ų3269.3 Ų69.315%0.1535%0.349CS..THydrogen-bonded Turntrans-105.87-179.1-49.6-166.137.200113.4M86 E88 L92 Y158M86-Q90 HydrophobicContact CG-CG 4.27Å; M86-Q90 VanDerWaalsContact O-CB 3.29Å; M86-Q90 WeakPolarHBondContact O-CB 3.45Å; M86-Q90 WeakPolarHBondContact O-CG 3.42Å; M86-Q90 PolarHBondContact O-N 3Å; E88-Q90 VanDerWaalsContact C-N 3.32Å; E88-Q90 PolarHBondContact O-N 3.11Å; Q90-L92 VanDerWaalsContact C-N 3.27Å; Q90-L92 HydrophobicContact CB-CD2 4.18Å; Q90-L92 HydrophobicContact CB-CG 4.02Å; Q90-L92 PolarHBondContact O-N 2.69Å; Q90-Y158 HydrophobicContact CB-CE1 4.46Å; Q90-Y158 HydrophobicContact CG-CD1 3.88Å; Q90-Y158 HydrophobicContact CG-CE1 3.27Å; Q90-Y158 HydrophobicContact CG-CE2 4.47Å; Q90-Y158 VanDerWaalsContact NE2-CE2 3.32Å; Q90-Y158 VanDerWaalsContact NE2-CZ 3.29Å; Q90-Y158 PolarHBondContact NE2-O 2.84Å; Q90-Y158 PolarHBondContact OE1-O 3.29Å
91S84.9Confident87.3Confident99 Ų9971.7 Ų71.769%0.69236%0.36SS*.THydrogen-bonded Turntrans51.242.6-178.7-59.60000113.5K87 E88K87-S91 CarbonylContact O-C 3.53Å; K87-S91 VanDerWaalsContact O-CA 3.29Å; K87-S91 WeakPolarHBondContact O-CA 3.22Å; K87-S91 PolarHBondContact O-N 3.47Å; E88-S91 PolarHBondContact O-N 2.92Å
92L86.4Confident87.6Confident27 Ų2772.5 Ų72.514%0.14136%0.362CS..  trans-74.8135180-55.1174.6000110.5Y83 M86 K87 Q90 F99 L157Y83-L92 HydrophobicContact CE2-CD1 4.24Å; M86-L92 HydrophobicContact CE-CD1 4.07Å; M86-L92 HydrophobicContact CG-CD1 4.37Å; K87-L92 HydrophobicContact CB-CB 4.48Å; K87-L92 WeakPolarHBondContact CE-O 3.41Å; K87-L92 HydrophobicContact CG-CB 4.1Å; K87-L92 WeakPolarHBondContact CG-O 3.45Å; K87-L92 PolarHBondContact O-N 2.86Å; Q90-L92 VanDerWaalsContact C-N 3.27Å; Q90-L92 HydrophobicContact CB-CD2 4.18Å; Q90-L92 HydrophobicContact CB-CG 4.02Å; Q90-L92 PolarHBondContact O-N 2.69Å; L92-F99 HydrophobicContact CD1-CD2 4.36Å; L92-F99 HydrophobicContact CD1-CE2 4.14Å; L92-L157 HydrophobicContact CD1-CD1 4.11Å; L92-L157 HydrophobicContact CD2-CD1 4.02Å
93L86.8Confident87.8Confident170 Ų17069.4 Ų69.489%0.8935%0.345SS*.  trans-92.1-8.9179.8-61.2178.3000113.7
94V87.3Confident88Confident40 Ų4070.2 Ų70.224%0.24235%0.35CS..SBendtrans-87.1161.1-178.1-74.20000112.6Y83 K87 F99 K102Y83-V94 VanDerWaalsContact OH-C 3.29Å; Y83-V94 WeakPolarHBondContact OH-CG2 3.27Å; Y83-V94 PolarHBondContact OH-O 2.83Å; K87-V94 WeakPolarHBondContact CE-O 3.15Å; K87-V94 PolarHBondContact NZ-O 2.89Å; V94-F99 HydrophobicContact CG2-CB 4.42Å; V94-F99 HydrophobicContact CG2-CD2 4.37Å; V94-K102 HydrophobicContact CG1-CG 4.01Å
95D87.5Confident88.3Confident75 Ų7567.1 Ų67.140%0.40134%0.341SS..  trans-88.4169.9169.368.2-15.5000110.8Y83 Q97 S98 F99Y83-D95 PolarHBondContact OH-O 2.86Å; D95-Q97 PolarHBondContact O-N 2.75Å; D95-S98 PolarHBondContact O-N 2.81Å; D95-S98 WeakPolarHBondContact OD1-CB 3.5Å; D95-S98 PolarHBondContact OD1-N 2.77Å; D95-S98 PolarHBondContact OD1-OG 3.34Å; D95-F99 WeakPolarHBondContact O-CB 3.27Å; D95-F99 PolarHBondContact O-N 2.83Å
96F85.5Confident88.4Confident10 Ų1059.4 Ų59.44%0.04431%0.314CS..THydrogen-bonded Turntrans-61.9-33.5-180-176.2-99000112.3Q58 L60 I78 Y83 P100Q58-F96 HydrophobicContact CB-CD1 4.42Å; Q58-F96 HydrophobicContact CB-CE1 3.58Å; Q58-F96 HydrophobicContact CB-CZ 4.36Å; Q58-F96 WeakPolarHBondContact O-CZ 3.26Å; L60-F96 HydrophobicContact CD1-CE1 4.5Å; L60-F96 HydrophobicContact CD1-CE2 3.76Å; L60-F96 HydrophobicContact CD1-CZ 3.75Å; L60-F96 HydrophobicContact CG-CE2 4.29Å; L60-F96 HydrophobicContact CG-CZ 3.82Å; I78-F96 HydrophobicContact CG2-CE2 4.4Å; Y83-F96 VanDerWaalsContact CB-CD2 3.44Å; Y83-F96 HydrophobicContact CD1-CB 3.79Å; Y83-F96 AromaticContact CD1-CD2 3.86Å; Y83-F96 HydrophobicContact CD1-CD2 3.86Å; Y83-F96 HydrophobicContact CD1-CG 4.34Å; Y83-F96 AromaticContact CD2-CD2 3.92Å; Y83-F96 HydrophobicContact CD2-CD2 3.92Å; Y83-F96 HydrophobicContact CE1-CB 4.03Å; Y83-F96 HydrophobicContact CG-CB 4.28Å; Y83-F96 AromaticContact CG-CD2 3.46Å; Y83-F96 HydrophobicContact CG-CD2 3.46Å; Y83-F96 VanDerWaalsContact CG-CD2 3.46Å; Y83-F96 HydrophobicContact CG-CE2 4.29Å; Y83-F96 HydrophobicContact CG-CG 4.36Å; F96-P100 WeakPolarHBondContact O-CD 3.2Å
97Q87.1Confident88.7Confident93 Ų9358.5 Ų58.544%0.43531%0.309SS..THydrogen-bonded Turntrans-68.7-39.3-178.8-63.2-55.3-3600112.4Q58 D95Q58-Q97 VanDerWaalsContact CD-NE2 3.29Å; Q58-Q97 VanDerWaalsContact OE1-CD 3.32Å; D95-Q97 PolarHBondContact O-N 2.75Å
98S88.3Confident88.9Confident53 Ų5358.3 Ų58.337%0.37131%0.31SS..THydrogen-bonded Turntrans-86.4-17.1-179.6-48.80000113.3D95 Q101 K102D95-S98 PolarHBondContact O-N 2.81Å; D95-S98 WeakPolarHBondContact OD1-CB 3.5Å; D95-S98 PolarHBondContact OD1-N 2.77Å; D95-S98 PolarHBondContact OD1-OG 3.34Å; S98-Q101 PolarHBondContact O-N 2.78Å; S98-K102 PolarHBondContact O-N 3.14Å; S98-K102 VanDerWaalsContact O-N 3.12Å
99F90.8Very high88.9Confident4 Ų454.6 Ų54.62%0.01829%0.294CS..Hα-helixtrans-55.9-47.1-177.5173.2-106.6000114.5L60 I78 Y83 M86 L92 V94 D95 Q101 K102 L103 L157L60-F99 HydrophobicContact CD1-CD1 3.95Å; L60-F99 HydrophobicContact CD1-CE1 4.39Å; I78-F99 HydrophobicContact CD1-CE1 4.43Å; Y83-F99 HydrophobicContact CD2-CB 4.37Å; Y83-F99 HydrophobicContact CD2-CD1 4.05Å; Y83-F99 HydrophobicContact CD2-CD2 4.49Å; Y83-F99 HydrophobicContact CD2-CE1 4.5Å; Y83-F99 HydrophobicContact CD2-CG 4.05Å; Y83-F99 HydrophobicContact CE2-CB 3.54Å; Y83-F99 AromaticContact CE2-CD1 3.82Å; Y83-F99 HydrophobicContact CE2-CD1 3.82Å; Y83-F99 AromaticContact CE2-CD2 3.57Å; Y83-F99 HydrophobicContact CE2-CD2 3.57Å; Y83-F99 HydrophobicContact CE2-CE1 4.44Å; Y83-F99 HydrophobicContact CE2-CE2 4.21Å; Y83-F99 AromaticContact CE2-CG 3.34Å; Y83-F99 HydrophobicContact CE2-CG 3.34Å; M86-F99 HydrophobicContact CE-CD1 4.37Å; M86-F99 HydrophobicContact CE-CD2 4.37Å; M86-F99 HydrophobicContact CE-CE1 3.68Å; M86-F99 HydrophobicContact CE-CE2 3.66Å; M86-F99 HydrophobicContact CE-CZ 3.27Å; M86-F99 HydrophobicContact SD-CZ 4.42Å; L92-F99 HydrophobicContact CD1-CD2 4.36Å; L92-F99 HydrophobicContact CD1-CE2 4.14Å; V94-F99 HydrophobicContact CG2-CB 4.42Å; V94-F99 HydrophobicContact CG2-CD2 4.37Å; D95-F99 WeakPolarHBondContact O-CB 3.27Å; D95-F99 PolarHBondContact O-N 2.83Å; F99-Q101 VanDerWaalsContact C-N 3.29Å; F99-Q101 PolarHBondContact O-N 2.66Å; F99-K102 PolarHBondContact O-N 3.47Å; F99-K102 VanDerWaalsContact O-N 3.14Å; F99-L103 PolarHBondContact O-N 3.12Å; F99-L157 HydrophobicContact CE2-CD1 3.89Å; F99-L157 HydrophobicContact CE2-CD2 3.98Å; F99-L157 HydrophobicContact CZ-CD1 4.32Å; F99-L157 HydrophobicContact CZ-CD2 4.14Å
100P90Very high88.9Confident8 Ų851.2 Ų51.25%0.05227%0.271CS..Hα-helixtrans-55.3-43.5177.1-26.634.1000112.9L21 L45 L60 F96 L103 I104L21-P100 HydrophobicContact CD1-CB 3.76Å; L21-P100 HydrophobicContact CD1-CG 4.36Å; L45-P100 HydrophobicContact CD2-CB 4.25Å; L60-P100 HydrophobicContact CD1-CG 3.68Å; L60-P100 HydrophobicContact CD2-CB 4.32Å; L60-P100 HydrophobicContact CD2-CG 3.62Å; L60-P100 HydrophobicContact CG-CG 4.28Å; F96-P100 WeakPolarHBondContact O-CD 3.2Å; P100-L103 PolarHBondContact O-N 2.99Å; P100-I104 VanDerWaalsContact O-CG1 3.27Å; P100-I104 WeakPolarHBondContact O-CG1 3.34Å; P100-I104 PolarHBondContact O-N 2.93Å
101Q91.5Very high89Confident108 Ų10852.1 Ų52.151%0.50528%0.276SS..Hα-helixtrans-65.1-42.4179.2-173.459.137.800111S98 F99 L103 I104 D105S98-Q101 PolarHBondContact O-N 2.78Å; F99-Q101 VanDerWaalsContact C-N 3.29Å; F99-Q101 PolarHBondContact O-N 2.66Å; Q101-L103 VanDerWaalsContact C-N 3.35Å; Q101-L103 PolarHBondContact O-N 3.41Å; Q101-I104 PolarHBondContact O-N 3.08Å; Q101-D105 PolarHBondContact NE2-OD1 2.89Å; Q101-D105 PolarHBondContact O-N 2.94Å
102K90.7Very high89.1Confident111 Ų11153.3 Ų53.348%0.48327%0.269SS..Hα-helixtrans-67-33.9176.5-68.7-58.9170.9-1590113.9V94 S98 F99 D105 L106V94-K102 HydrophobicContact CG1-CG 4.01Å; S98-K102 PolarHBondContact O-N 3.14Å; S98-K102 VanDerWaalsContact O-N 3.12Å; F99-K102 PolarHBondContact O-N 3.47Å; F99-K102 VanDerWaalsContact O-N 3.14Å; K102-D105 IonicContact NZ-OD2 3.3Å; K102-D105 PolarHBondContact NZ-OD2 3.07Å; K102-L106 WeakPolarHBondContact O-CB 3.36Å; K102-L106 PolarHBondContact O-N 2.8Å
103L90.9Very high89.2Confident3 Ų352.6 Ų52.62%0.01627%0.265CS..Hα-helixtrans-62.7-47.5170.3173.460.2000110.3F43 L45 F99 P100 Q101 D105 L106 L107 L157 I159F43-L103 HydrophobicContact CZ-CD2 4.39Å; L45-L103 HydrophobicContact CD1-CD2 4.48Å; L45-L103 HydrophobicContact CD2-CD2 4.28Å; F99-L103 PolarHBondContact O-N 3.12Å; P100-L103 PolarHBondContact O-N 2.99Å; Q101-L103 VanDerWaalsContact C-N 3.35Å; Q101-L103 PolarHBondContact O-N 3.41Å; L103-D105 PolarHBondContact O-N 2.77Å; L103-L106 WeakPolarHBondContact O-CB 3.34Å; L103-L106 PolarHBondContact O-N 2.83Å; L103-L107 HydrophobicContact CD1-CD1 4.11Å; L103-L107 HydrophobicContact CD1-CD2 4.31Å; L103-L107 HydrophobicContact CD1-CG 4.03Å; L103-L107 HydrophobicContact CG-CD1 4.08Å; L103-L107 HydrophobicContact CG-CG 4.4Å; L103-L107 VanDerWaalsContact O-CG 3.27Å; L103-L107 WeakPolarHBondContact O-CG 3.27Å; L103-L107 PolarHBondContact O-N 3.21Å; L103-L157 HydrophobicContact CD1-CD2 3.64Å; L103-I159 HydrophobicContact CD1-CD1 4.03Å; L103-I159 HydrophobicContact CD2-CD1 3.83Å
104I91.2Very high89.1Confident19 Ų1946.8 Ų46.810%0.09724%0.242CC..Hα-helixtrans-59.1-48176.7-67165.1000110.7L21 Y22 L45 P100 Q101 L106 L107 E108L21-I104 HydrophobicContact CB-CD1 4.3Å; Y22-I104 HydrophobicContact CD2-CG1 4.24Å; Y22-I104 HydrophobicContact CD2-CG2 3.86Å; Y22-I104 HydrophobicContact CE2-CG2 4.11Å; Y22-I104 HydrophobicContact CG-CG1 4.12Å; L45-I104 HydrophobicContact CD2-CD1 4.24Å; L45-I104 HydrophobicContact CD2-CG1 4.15Å; P100-I104 VanDerWaalsContact O-CG1 3.27Å; P100-I104 WeakPolarHBondContact O-CG1 3.34Å; P100-I104 PolarHBondContact O-N 2.93Å; Q101-I104 PolarHBondContact O-N 3.08Å; I104-L106 PolarHBondContact O-N 3.48Å; I104-L107 PolarHBondContact O-N 2.95Å; I104-L107 VanDerWaalsContact O-N 3.12Å; I104-E108 HydrophobicContact CG2-CG 4.13Å; I104-E108 WeakPolarHBondContact O-CB 3.42Å; I104-E108 WeakPolarHBondContact O-CG 3.49Å; I104-E108 PolarHBondContact O-N 2.83Å
105D92.7Very high88.9Confident56 Ų5650.2 Ų50.230%0.29926%0.263SS..Hα-helixtrans-55.1-41.1177.4-64.5-12.9000110.8Q101 K102 L103 L109Q101-D105 PolarHBondContact NE2-OD1 2.89Å; Q101-D105 PolarHBondContact O-N 2.94Å; K102-D105 IonicContact NZ-OD2 3.3Å; K102-D105 PolarHBondContact NZ-OD2 3.07Å; L103-D105 PolarHBondContact O-N 2.77Å; D105-L109 WeakPolarHBondContact O-CB 3.46Å; D105-L109 PolarHBondContact O-N 2.89Å
106L88.8Confident89Confident26 Ų2651 Ų5114%0.13626%0.262CS..Hα-helixtrans-70.9-39.5178.6-170.164.6000112.5K102 L103 I104 L109 V110 V145 H156 L157K102-L106 WeakPolarHBondContact O-CB 3.36Å; K102-L106 PolarHBondContact O-N 2.8Å; L103-L106 WeakPolarHBondContact O-CB 3.34Å; L103-L106 PolarHBondContact O-N 2.83Å; I104-L106 PolarHBondContact O-N 3.48Å; L106-L109 WeakPolarHBondContact O-CB 3.24Å; L106-L109 PolarHBondContact O-N 3.25Å; L106-V110 WeakPolarHBondContact O-CG2 3.26Å; L106-V110 PolarHBondContact O-N 2.96Å; L106-V145 HydrophobicContact CD1-CG1 3.91Å; L106-V145 HydrophobicContact CD2-CB 3.65Å; L106-V145 HydrophobicContact CD2-CG1 3.66Å; L106-V145 HydrophobicContact CD2-CG2 3.75Å; L106-V145 HydrophobicContact CG-CB 4.13Å; L106-V145 HydrophobicContact CG-CG1 3.59Å; L106-V145 HydrophobicContact CG-CG2 4.2Å; L106-H156 HydrophobicContact CD1-CB 4.46Å; L106-H156 HydrophobicContact CD2-CB 4.2Å; L106-L157 HydrophobicContact CD2-CB 3.92Å; L106-L157 HydrophobicContact CD2-CD2 4.34Å
107L91.1Very high88.7Confident0 Ų059.4 Ų59.40%030%0.304CS..Hα-helixtrans-68.2-38.8175.6-64.3174.8000111.8Y22 L26 F43 L103 I104 V110 L111 I123Y22-L107 HydrophobicContact CD1-CD1 4.2Å; Y22-L107 HydrophobicContact CE1-CB 4.38Å; Y22-L107 HydrophobicContact CE1-CD1 4.01Å; L26-L107 HydrophobicContact CD1-CB 4.18Å; L26-L107 HydrophobicContact CD1-CD1 4.13Å; L26-L107 HydrophobicContact CD1-CD2 3.81Å; L26-L107 HydrophobicContact CD1-CG 4.24Å; F43-L107 HydrophobicContact CD1-CD1 3.77Å; F43-L107 HydrophobicContact CE1-CD1 3.42Å; F43-L107 VanDerWaalsContact CE1-CD1 3.42Å; F43-L107 HydrophobicContact CE2-CD1 4.34Å; F43-L107 HydrophobicContact CG-CD1 4.33Å; F43-L107 HydrophobicContact CZ-CD1 3.75Å; L103-L107 HydrophobicContact CD1-CD1 4.11Å; L103-L107 HydrophobicContact CD1-CD2 4.31Å; L103-L107 HydrophobicContact CD1-CG 4.03Å; L103-L107 HydrophobicContact CG-CD1 4.08Å; L103-L107 HydrophobicContact CG-CG 4.4Å; L103-L107 VanDerWaalsContact O-CG 3.27Å; L103-L107 WeakPolarHBondContact O-CG 3.27Å; L103-L107 PolarHBondContact O-N 3.21Å; I104-L107 PolarHBondContact O-N 2.95Å; I104-L107 VanDerWaalsContact O-N 3.12Å; L107-V110 PolarHBondContact O-N 2.67Å; L107-L111 WeakPolarHBondContact O-CB 3.44Å; L107-L111 PolarHBondContact O-N 2.91Å; L107-I123 HydrophobicContact CD2-CD1 3.66Å; L107-I123 HydrophobicContact CD2-CG1 4.29Å
108E90.9Very high88.2Confident61 Ų6161.5 Ų61.529%0.28531%0.314SS..Hα-helixtrans-67.7-37.3173.6-70.1-75.6-169.100111.1Y22 K24 I104 V110 L111 F112Y22-E108 HydrophobicContact CE2-CG 4.27Å; Y22-E108 WeakPolarHBondContact CE2-OE1 3.49Å; K24-E108 IonicContact NZ-OE1 3.6Å; K24-E108 PolarHBondContact NZ-OE1 2.82Å; K24-E108 IonicContact NZ-OE2 3.17Å; K24-E108 PolarHBondContact NZ-OE2 3.12Å; I104-E108 HydrophobicContact CG2-CG 4.13Å; I104-E108 WeakPolarHBondContact O-CB 3.42Å; I104-E108 WeakPolarHBondContact O-CG 3.49Å; I104-E108 PolarHBondContact O-N 2.83Å; E108-V110 VanDerWaalsContact C-N 3.32Å; E108-V110 PolarHBondContact O-N 2.83Å; E108-L111 PolarHBondContact O-N 2.91Å; E108-F112 VanDerWaalsContact O-CB 3.26Å; E108-F112 WeakPolarHBondContact O-CB 3.27Å; E108-F112 PolarHBondContact O-N 3.38Å
109L88.6Confident87.9Confident79 Ų7962 Ų6241%0.41432%0.316SS..Hα-helixtrans-58.2-43.9170.2-107.9155.3000111.6D105 L106 F112 E113D105-L109 WeakPolarHBondContact O-CB 3.46Å; D105-L109 PolarHBondContact O-N 2.89Å; L106-L109 WeakPolarHBondContact O-CB 3.24Å; L106-L109 PolarHBondContact O-N 3.25Å; L109-F112 PolarHBondContact O-N 3.17Å; L109-E113 VanDerWaalsContact O-CB 3.28Å; L109-E113 WeakPolarHBondContact O-CB 3.47Å; L109-E113 VanDerWaalsContact O-CG 3.26Å; L109-E113 WeakPolarHBondContact O-CG 3.4Å; L109-E113 PolarHBondContact O-N 2.82Å
110V88.4Confident87.6Confident2 Ų268.3 Ų68.31%0.01234%0.34CS..Hα-helixtrans-67.2-43.2175.8174.40000111.3L106 L107 E108 F112 E113 A114 F121 I123 V145L106-V110 WeakPolarHBondContact O-CG2 3.26Å; L106-V110 PolarHBondContact O-N 2.96Å; L107-V110 PolarHBondContact O-N 2.67Å; E108-V110 VanDerWaalsContact C-N 3.32Å; E108-V110 PolarHBondContact O-N 2.83Å; V110-F112 VanDerWaalsContact C-N 3.28Å; V110-F112 PolarHBondContact O-N 3.01Å; V110-E113 PolarHBondContact O-N 2.86Å; V110-A114 WeakPolarHBondContact O-CB 3.43Å; V110-A114 PolarHBondContact O-N 3.3Å; V110-F121 HydrophobicContact CG2-CB 3.95Å; V110-I123 HydrophobicContact CB-CD1 3.96Å; V110-I123 HydrophobicContact CB-CG1 4.17Å; V110-I123 HydrophobicContact CG1-CD1 3.64Å; V110-I123 HydrophobicContact CG1-CG1 3.79Å; V110-I123 HydrophobicContact CG2-CD1 4.25Å; V110-I123 HydrophobicContact CG2-CG1 3.96Å; V110-V145 HydrophobicContact CG2-CG1 3.74Å
111L89Confident87.6Confident50 Ų5069.6 Ų69.626%0.26234%0.344SS..Hα-helixtrans-60.4-42.1177.9-167104.8000110.9K25 L26 L107 E108K25-L111 WeakPolarHBondContact O-CD1 3.28Å; L26-L111 HydrophobicContact CD2-CB 4.4Å; L26-L111 HydrophobicContact CD2-CD1 3.52Å; L107-L111 WeakPolarHBondContact O-CB 3.44Å; L107-L111 PolarHBondContact O-N 2.91Å; E108-L111 PolarHBondContact O-N 2.91Å
112F88.1Confident87.4Confident124 Ų12465.8 Ų65.854%0.54433%0.331SS..Hα-helixtrans-67.7-45.2175.5-177.9-107.7000111.9E108 L109 V110 A114 T115E108-F112 VanDerWaalsContact O-CB 3.26Å; E108-F112 WeakPolarHBondContact O-CB 3.27Å; E108-F112 PolarHBondContact O-N 3.38Å; L109-F112 PolarHBondContact O-N 3.17Å; V110-F112 VanDerWaalsContact C-N 3.28Å; V110-F112 PolarHBondContact O-N 3.01Å; F112-A114 VanDerWaalsContact C-N 3.28Å; F112-A114 PolarHBondContact O-N 2.83Å; F112-T115 WeakPolarHBondContact O-CB 3.37Å; F112-T115 PolarHBondContact O-N 3.49Å; F112-T115 VanDerWaalsContact O-N 3.11Å; F112-T115 PolarHBondContact O-OG1 2.87Å
113E87.3Confident87.4Confident13 Ų1360.5 Ų60.56%0.06131%0.309CS..Hα-helixtrans-62-33.9176-80.5-79.6153.100112.8L109 V110 T115 K116 P119 R120 F121L109-E113 VanDerWaalsContact O-CB 3.28Å; L109-E113 WeakPolarHBondContact O-CB 3.47Å; L109-E113 VanDerWaalsContact O-CG 3.26Å; L109-E113 WeakPolarHBondContact O-CG 3.4Å; L109-E113 PolarHBondContact O-N 2.82Å; V110-E113 PolarHBondContact O-N 2.86Å; E113-T115 PolarHBondContact O-N 2.81Å; E113-T115 VanDerWaalsContact O-N 3.13Å; E113-K116 VanDerWaalsContact O-CB 3.31Å; E113-K116 WeakPolarHBondContact O-CB 3.49Å; E113-K116 PolarHBondContact O-N 3.08Å; E113-K116 WeakPolarHBondContact OE1-CE 3.32Å; E113-K116 IonicContact OE1-NZ 2.66Å; E113-K116 PolarHBondContact OE1-NZ 3Å; E113-P119 HydrophobicContact CB-CB 4.48Å; E113-P119 WeakPolarHBondContact O-CB 3.45Å; E113-P119 WeakPolarHBondContact OE2-CA 3.45Å; E113-R120 PolarHBondContact OE2-N 3.07Å; E113-F121 HydrophobicContact CB-CB 4.26Å; E113-F121 HydrophobicContact CG-CB 4.06Å; E113-F121 HydrophobicContact CG-CD2 3.81Å; E113-F121 HydrophobicContact CG-CG 4.37Å
114A84.5Confident87.3Confident48 Ų4860.9 Ų60.940%0.39731%0.31SS..THydrogen-bonded Turntrans-63.4-17.5176.200000113.6P27 V110 F112P27-A114 HydrophobicContact CB-CB 4.37Å; P27-A114 HydrophobicContact CG-CB 3.47Å; P27-A114 VanDerWaalsContact CG-CB 3.47Å; V110-A114 WeakPolarHBondContact O-CB 3.43Å; V110-A114 PolarHBondContact O-N 3.3Å; F112-A114 VanDerWaalsContact C-N 3.28Å; F112-A114 PolarHBondContact O-N 2.83Å
115T85.1Confident87.1Confident112 Ų11260 Ų6069%0.68731%0.306SS*.THydrogen-bonded Turntrans-84.1-9.9172.371.70000113.3F112 E113F112-T115 WeakPolarHBondContact O-CB 3.37Å; F112-T115 PolarHBondContact O-N 3.49Å; F112-T115 VanDerWaalsContact O-N 3.11Å; F112-T115 PolarHBondContact O-OG1 2.87Å; E113-T115 PolarHBondContact O-N 2.81Å; E113-T115 VanDerWaalsContact O-N 3.13Å
116K87.7Confident86.9Confident91 Ų9160 Ų6040%0.39630%0.304SS..SBendtrans-88.7158.9-179.5-57.6-175.6-173.9175.70112E113E113-K116 VanDerWaalsContact O-CB 3.31Å; E113-K116 WeakPolarHBondContact O-CB 3.49Å; E113-K116 PolarHBondContact O-N 3.08Å; E113-K116 WeakPolarHBondContact OE1-CE 3.32Å; E113-K116 IonicContact OE1-NZ 2.66Å; E113-K116 PolarHBondContact OE1-NZ 3Å
117M79.6Confident86.5Confident187 Ų18760.5 Ų60.592%0.92131%0.307SS*.SBendtrans-66.8-36.3179.9-70.8-66.3-65.100113.7
118E77.3Confident86Confident136 Ų13663.8 Ų63.864%0.63633%0.33SS*.SBendtrans-124.184.9174.6-71.5-173.2169.700108.6R120E118-R120 PolarHBondContact O-N 3.14Å; E118-R120 VanDerWaalsContact O-N 3.14Å
119P81.5Confident84.9Confident65 Ų6562.8 Ų62.842%0.42233%0.329SS..  trans-64116.2178.925.1-32.6000109.3E113E113-P119 HydrophobicContact CB-CB 4.48Å; E113-P119 WeakPolarHBondContact O-CB 3.45Å; E113-P119 WeakPolarHBondContact OE2-CA 3.45Å
120R85.2Confident83.2Confident135 Ų13562 Ų6251%0.50933%0.33SS..SBendtrans-79.6-34.4175.7-68.7-174.9179.2-152.21.1111.4E113 E118 E147 V148E113-R120 PolarHBondContact OE2-N 3.07Å; E118-R120 PolarHBondContact O-N 3.14Å; E118-R120 VanDerWaalsContact O-N 3.14Å; R120-E147 CarbonylContact O-C 3.56Å; R120-E147 VanDerWaalsContact O-CA 3.23Å; R120-E147 WeakPolarHBondContact O-CA 3.36Å; R120-V148 PolarHBondContact O-N 3.29Å
121F88.6Confident81.3Confident35 Ų3569.6 Ų69.615%0.15436%0.363CS..EExtended strand (participates in β ladder)trans-103.6131.8179.2-63.1-97.8000110V110 E113 V146 E147 H156V110-F121 HydrophobicContact CG2-CB 3.95Å; E113-F121 HydrophobicContact CB-CB 4.26Å; E113-F121 HydrophobicContact CG-CB 4.06Å; E113-F121 HydrophobicContact CG-CD2 3.81Å; E113-F121 HydrophobicContact CG-CG 4.37Å; F121-V146 WeakPolarHBondContact CA-O 3.48Å; F121-E147 HydrophobicContact CD1-CB 4.06Å; F121-E147 HydrophobicContact CD1-CG 4.46Å; F121-E147 HydrophobicContact CE1-CB 3.94Å; F121-E147 HydrophobicContact CE1-CG 4.16Å; F121-E147 HydrophobicContact CE2-CG 4.43Å; F121-E147 HydrophobicContact CZ-CB 4.42Å; F121-E147 HydrophobicContact CZ-CG 4.14Å; F121-H156 AromaticContact CE1-CD2 3.74Å; F121-H156 AromaticContact CE1-NE2 3.38Å; F121-H156 WeakPolarHBondContact CE1-NE2 3.33Å
122A88.4Confident79.3Confident28 Ų2872.5 Ų72.523%0.23138%0.383CS..EExtended strand (participates in β ladder)trans-141.3155.2176.300000110.1V146A122-V146 HydrophobicContact CB-CG2 4.35Å; A122-V146 PolarHBondContact N-O 2.64Å; A122-V146 WeakPolarHBondContact O-CG2 3.5Å; A122-V146 PolarHBondContact O-N 3.1Å
123I89.7Confident77.1Confident1 Ų170.6 Ų70.61%0.00540%0.398CS..EExtended strand (participates in β ladder)trans-99126.7169.3-65150.8000107.7L26 V28 S29 L107 V110 L143 E144 V145L26-I123 HydrophobicContact CB-CD1 4.36Å; L26-I123 HydrophobicContact CD1-CD1 3.93Å; V28-I123 WeakPolarHBondContact CA-O 3.37Å; V28-I123 HydrophobicContact CB-CG2 4.36Å; V28-I123 HydrophobicContact CG1-CG2 4.03Å; V28-I123 HydrophobicContact CG2-CB 3.95Å; V28-I123 HydrophobicContact CG2-CG2 3.66Å; S29-I123 PolarHBondContact N-O 2.89Å; L107-I123 HydrophobicContact CD2-CD1 3.66Å; L107-I123 HydrophobicContact CD2-CG1 4.29Å; V110-I123 HydrophobicContact CB-CD1 3.96Å; V110-I123 HydrophobicContact CB-CG1 4.17Å; V110-I123 HydrophobicContact CG1-CD1 3.64Å; V110-I123 HydrophobicContact CG1-CG1 3.79Å; V110-I123 HydrophobicContact CG2-CD1 4.25Å; V110-I123 HydrophobicContact CG2-CG1 3.96Å; I123-L143 HydrophobicContact CG2-CD1 3.35Å; I123-L143 HydrophobicContact CG2-CG 4.02Å; I123-E144 WeakPolarHBondContact CA-O 3.29Å; I123-V145 HydrophobicContact CG1-CG2 4.21Å
124E88.9Confident74.8Confident10 Ų1078 Ų785%0.04743%0.433CS..EExtended strand (participates in β ladder)trans-117.7130174.4-65-171.7152.300109.4S29 V31 K36 E144 V146 R153S29-E124 CarbonylContact O-C 3.52Å; S29-E124 WeakPolarHBondContact O-CA 3.3Å; V31-E124 HydrophobicContact CG2-CB 4.19Å; V31-E124 HydrophobicContact CG2-CG 4.46Å; K36-E124 IonicContact NZ-OE1 2.79Å; K36-E124 PolarHBondContact NZ-OE1 2.87Å; E124-E144 PolarHBondContact N-O 3.29Å; E124-E144 PolarHBondContact O-N 2.82Å; E124-V146 HydrophobicContact CB-CG2 4.49Å; E124-V146 HydrophobicContact CG-CG2 3.78Å; E124-R153 IonicContact OE2-CZ 2.77Å; E124-R153 IonicContact OE2-NE 3.2Å; E124-R153 PolarHBondContact OE2-NE 3.36Å; E124-R153 IonicContact OE2-NH2 3.35Å; E124-R153 PolarHBondContact OE2-NH2 2.88Å
125V88.1Confident72.7Confident0 Ų083.3 Ų83.30%045%0.454CS..EExtended strand (participates in β ladder)trans-106.5108.1173.9175.50000108.3V28 S29 F30 V31 L74 I127 A141 R142 L143V28-V125 HydrophobicContact CG1-CB 4.08Å; V28-V125 HydrophobicContact CG1-CG2 3.45Å; V28-V125 VanDerWaalsContact CG1-CG2 3.45Å; S29-V125 PolarHBondContact O-N 2.98Å; F30-V125 CarbonylContact C-O 3.58Å; F30-V125 WeakPolarHBondContact CA-O 3.18Å; F30-V125 HydrophobicContact CD1-CB 3.72Å; F30-V125 HydrophobicContact CD1-CG1 3.8Å; F30-V125 HydrophobicContact CE1-CB 3.86Å; F30-V125 HydrophobicContact CE1-CG1 3.78Å; F30-V125 HydrophobicContact CE1-CG2 4.29Å; F30-V125 HydrophobicContact CG-CB 4.48Å; V31-V125 PolarHBondContact N-O 2.95Å; L74-V125 HydrophobicContact CD1-CG1 4.22Å; V125-I127 HydrophobicContact CG1-CG1 4.14Å; V125-A141 HydrophobicContact CG1-CB 3.99Å; V125-R142 CarbonylContact C-O 3.5Å; V125-R142 WeakPolarHBondContact CA-O 3.46Å; V125-L143 HydrophobicContact CG2-CB 4.3Å; V125-L143 HydrophobicContact CG2-CD1 3.44Å; V125-L143 VanDerWaalsContact CG2-CD1 3.44Å; V125-L143 HydrophobicContact CG2-CG 4.4Å
126Q87.7Confident70.7Confident58 Ų5880.9 Ų80.927%0.27145%0.445SS..EExtended strand (participates in β ladder)trans-85115.5174.9-62.6-175.88.400109.4V31 A141 R142 E144V31-Q126 HydrophobicContact CB-CG 4.34Å; V31-Q126 WeakPolarHBondContact O-CA 3.24Å; Q126-A141 CarbonylContact O-C 3.59Å; Q126-A141 VanDerWaalsContact O-CA 3.3Å; Q126-A141 WeakPolarHBondContact O-CA 3.35Å; Q126-R142 HydrophobicContact CB-CB 4.41Å; Q126-R142 PolarHBondContact N-O 2.82Å; Q126-R142 PolarHBondContact O-N 3.15Å; Q126-E144 PolarHBondContact NE2-OE1 3.46Å; Q126-E144 PolarHBondContact NE2-OE2 2.66Å
127I81.3Confident68.9Low36 Ų3685.2 Ų85.219%0.18546%0.464CS..EExtended strand (participates in β ladder)trans-95.4116.3177.4-57.9175.8000108.2F30 V31 V125 A141F30-I127 HydrophobicContact CD1-CD1 3.78Å; F30-I127 HydrophobicContact CD1-CG1 4.32Å; F30-I127 HydrophobicContact CE1-CD1 4.34Å; V31-I127 PolarHBondContact O-N 2.88Å; V31-I127 VanDerWaalsContact O-N 3.12Å; V125-I127 HydrophobicContact CG1-CG1 4.14Å; I127-A141 HydrophobicContact CG1-CB 4.34Å
128S80.9Confident67.7Low69 Ų6983.1 Ų83.148%0.48345%0.452SS..EExtended strand (participates in β ladder)trans-97.8113.4172.9-64.10000109T140S128-T140 PolarHBondContact N-O 2.78Å; S128-T140 PolarHBondContact O-N 2.78Å
129S66.6Low67.3Low40 Ų4079.9 Ų79.928%0.2844%0.439SS..  trans-102.3124166.973.50000109K131 N139S129-K131 PolarHBondContact O-N 2.82Å; S129-K131 VanDerWaalsContact O-N 3.12Å; S129-N139 VanDerWaalsContact CA-OD1 3.27Å; S129-N139 WeakPolarHBondContact CA-OD1 3.35Å; S129-N139 WeakPolarHBondContact CB-OD1 3.26Å
130S54.3Low67.2Low62 Ų6280.3 Ų80.343%0.43444%0.441SS..  trans-65.1111.8166.256.10000108.7T132S130-T132 PolarHBondContact O-N 2.93Å
131K48.5Very low67.3Low162 Ų16274.1 Ų74.170%0.70442%0.418SS*.  trans-78.32.7176.3-72.7-170.9-179.5178.10113.7N33 S129 G133N33-K131 PolarHBondContact ND2-NZ 2.77Å; S129-K131 PolarHBondContact O-N 2.82Å; S129-K131 VanDerWaalsContact O-N 3.12Å; K131-G133 PolarHBondContact O-N 3.09Å
132T45.5Very low67.3Low110 Ų11076.3 Ų76.368%0.67543%0.425SS*.SBendtrans-73.3108.8172.845.80000108.4S130 E134S130-T132 PolarHBondContact O-N 2.93Å; T132-E134 PolarHBondContact O-N 2.77Å
133G42.1Very low67.5Low84 Ų8475.1 Ų75.187%0.86642%0.415SS*.SBendtrans-64.438.2-167.400000117.7K131K131-G133 PolarHBondContact O-N 3.09Å
134E40.1Very low67.5Low168 Ų16875.3 Ų75.379%0.78542%0.416SS*.SBendtrans-125.987.8179.5-67.7-178.9177.900109.4T132 A136T132-E134 PolarHBondContact O-N 2.77Å; E134-A136 PolarHBondContact O-N 2.87Å
135L40.3Very low67.6Low161 Ų16174.9 Ų74.984%0.84341%0.414SS*.  trans49.38.6159-84.5117.2000120.9K137L135-K137 VanDerWaalsContact C-N 3.32Å; L135-K137 PolarHBondContact O-N 3.22Å
136A42.9Very low67.7Low61 Ų6174.9 Ų74.950%0.50441%0.414SS..  trans-72.285.9179.100000111.4E134 E138E134-A136 PolarHBondContact O-N 2.87Å; A136-E138 PolarHBondContact O-N 2.72Å
137K48.9Very low67.8Low182 Ų18274 Ų7479%0.79141%0.41SS*.  trans-65.711.6176.8-80.5176.8172.71770114.9L135L135-K137 VanDerWaalsContact C-N 3.32Å; L135-K137 PolarHBondContact O-N 3.22Å
138E55.9Low67.8Low143 Ų14375.9 Ų75.967%0.66842%0.423SS*.  trans-118.779-171.7-64.7-177.7-176.800109.2A136 T140A136-E138 PolarHBondContact O-N 2.72Å; E138-T140 PolarHBondContact O-N 2.78Å; E138-T140 VanDerWaalsContact O-N 3.09Å
139N67.1Low67.8Low68 Ų6876.7 Ų76.736%0.36442%0.422SS..  trans-62.1113.7162-86.8-13.2000107.3S129 S163S129-N139 VanDerWaalsContact CA-OD1 3.27Å; S129-N139 WeakPolarHBondContact CA-OD1 3.35Å; S129-N139 WeakPolarHBondContact CB-OD1 3.26Å; N139-S163 PolarHBondContact O-N 2.65Å; N139-S163 VanDerWaalsContact O-N 3.14Å
140T81.5Confident68.4Low74 Ų7485.7 Ų85.745%0.45445%0.45SS..EExtended strand (participates in β ladder)trans-89138.3169.555.60000108.1S128 E138S128-T140 PolarHBondContact N-O 2.78Å; S128-T140 PolarHBondContact O-N 2.78Å; E138-T140 PolarHBondContact O-N 2.78Å; E138-T140 VanDerWaalsContact O-N 3.09Å
141A86.8Confident69.8Low4 Ų492.1 Ų92.13%0.03347%0.47CS..EExtended strand (participates in β ladder)trans-123.7136.6179.800000108.6L74 V125 Q126 I127 L161L74-A141 HydrophobicContact CD1-CB 3.87Å; L74-A141 HydrophobicContact CD2-CB 4.08Å; V125-A141 HydrophobicContact CG1-CB 3.99Å; Q126-A141 CarbonylContact O-C 3.59Å; Q126-A141 VanDerWaalsContact O-CA 3.3Å; Q126-A141 WeakPolarHBondContact O-CA 3.35Å; I127-A141 HydrophobicContact CG1-CB 4.34Å; A141-L161 HydrophobicContact CB-CB 4.18Å; A141-L161 PolarHBondContact N-O 2.87Å; A141-L161 CarbonylContact O-C 3.56Å; A141-L161 VanDerWaalsContact O-CA 3.32Å; A141-L161 WeakPolarHBondContact O-CA 3.23Å; A141-L161 WeakPolarHBondContact O-CB 3.37Å; A141-L161 PolarHBondContact O-N 2.91Å
142R89.1Confident71.6Confident82 Ų8292.9 Ų92.931%0.30947%0.468SS..EExtended strand (participates in β ladder)trans-110.9110.4177-170178-179.7179.91.8108.6V125 Q126 E144 Y158V125-R142 CarbonylContact C-O 3.5Å; V125-R142 WeakPolarHBondContact CA-O 3.46Å; Q126-R142 HydrophobicContact CB-CB 4.41Å; Q126-R142 PolarHBondContact N-O 2.82Å; Q126-R142 PolarHBondContact O-N 3.15Å; R142-E144 VanDerWaalsContact CD-OE1 3.29Å; R142-E144 WeakPolarHBondContact CD-OE1 3.34Å; R142-E144 HydrophobicContact CG-CG 3.94Å; R142-E144 IonicContact CZ-OE1 3.64Å; R142-E144 IonicContact NE-OE1 3.34Å; R142-E144 PolarHBondContact NE-OE1 3.27Å; R142-E144 IonicContact NH1-OE1 3.84Å; R142-Y158 HydrophobicContact CG-CD2 4.07Å; R142-Y158 HydrophobicContact CG-CG 4.39Å
143L90.6Very high73.4Confident3 Ų392.1 Ų92.12%0.01645%0.453CS..EExtended strand (participates in β ladder)trans-81.1113.5172.6177.994.7000108.2F43 I123 V125 Y158 I159 L161F43-L143 HydrophobicContact CE2-CD2 3.85Å; I123-L143 HydrophobicContact CG2-CD1 3.35Å; I123-L143 HydrophobicContact CG2-CG 4.02Å; V125-L143 HydrophobicContact CG2-CB 4.3Å; V125-L143 HydrophobicContact CG2-CD1 3.44Å; V125-L143 VanDerWaalsContact CG2-CD1 3.44Å; V125-L143 HydrophobicContact CG2-CG 4.4Å; L143-Y158 CarbonylContact O-C 3.54Å; L143-Y158 WeakPolarHBondContact O-CA 3.49Å; L143-I159 HydrophobicContact CB-CB 4.41Å; L143-I159 HydrophobicContact CD2-CB 4.31Å; L143-I159 HydrophobicContact CD2-CD1 4.22Å; L143-I159 PolarHBondContact N-O 3Å; L143-I159 PolarHBondContact O-N 3.44Å; L143-L161 HydrophobicContact CB-CD1 3.71Å; L143-L161 HydrophobicContact CB-CG 4.34Å
144E91.5Very high75.7Confident5 Ų592.1 Ų92.12%0.02343%0.433CS..EExtended strand (participates in β ladder)trans-112.5127.4179.3-57.4-169.9179.200109.8I123 E124 Q126 R142 V146 R153 T155 L157I123-E144 WeakPolarHBondContact CA-O 3.29Å; E124-E144 PolarHBondContact N-O 3.29Å; E124-E144 PolarHBondContact O-N 2.82Å; Q126-E144 PolarHBondContact NE2-OE1 3.46Å; Q126-E144 PolarHBondContact NE2-OE2 2.66Å; R142-E144 VanDerWaalsContact CD-OE1 3.29Å; R142-E144 WeakPolarHBondContact CD-OE1 3.34Å; R142-E144 HydrophobicContact CG-CG 3.94Å; R142-E144 IonicContact CZ-OE1 3.64Å; R142-E144 IonicContact NE-OE1 3.34Å; R142-E144 PolarHBondContact NE-OE1 3.27Å; R142-E144 IonicContact NH1-OE1 3.84Å; E144-V146 HydrophobicContact CB-CG1 3.82Å; E144-R153 IonicContact OE2-CZ 2.91Å; E144-R153 IonicContact OE2-NH1 2.69Å; E144-R153 PolarHBondContact OE2-NH1 2.82Å; E144-R153 IonicContact OE2-NH2 3.87Å; E144-R153 PolarHBondContact OE2-NH2 2.79Å; E144-T155 HydrophobicContact CB-CG2 4.11Å; E144-T155 HydrophobicContact CG-CG2 4.38Å; E144-T155 PolarHBondContact OE2-OG1 2.92Å; E144-L157 CarbonylContact C-O 3.42Å; E144-L157 WeakPolarHBondContact CA-O 3.29Å
145V90.7Very high78Confident1 Ų186.4 Ų86.41%0.00641%0.41CS..EExtended strand (participates in β ladder)trans-89.1114.2163.6-174.10000107.8L106 V110 I123 H156 L157L106-V145 HydrophobicContact CD1-CG1 3.91Å; L106-V145 HydrophobicContact CD2-CB 3.65Å; L106-V145 HydrophobicContact CD2-CG1 3.66Å; L106-V145 HydrophobicContact CD2-CG2 3.75Å; L106-V145 HydrophobicContact CG-CB 4.13Å; L106-V145 HydrophobicContact CG-CG1 3.59Å; L106-V145 HydrophobicContact CG-CG2 4.2Å; V110-V145 HydrophobicContact CG2-CG1 3.74Å; I123-V145 HydrophobicContact CG1-CG2 4.21Å; V145-H156 PolarHBondContact O-N 2.89Å; V145-L157 PolarHBondContact N-O 2.93Å
146V90.1Very high80.2Confident0 Ų082.1 Ų82.10%039%0.385CS..EExtended strand (participates in β ladder)trans-117.7138.6-172.7-610000110.6F121 A122 E124 E144 V148 R153 L154F121-V146 WeakPolarHBondContact CA-O 3.48Å; A122-V146 HydrophobicContact CB-CG2 4.35Å; A122-V146 PolarHBondContact N-O 2.64Å; A122-V146 WeakPolarHBondContact O-CG2 3.5Å; A122-V146 PolarHBondContact O-N 3.1Å; E124-V146 HydrophobicContact CB-CG2 4.49Å; E124-V146 HydrophobicContact CG-CG2 3.78Å; E144-V146 HydrophobicContact CB-CG1 3.82Å; V146-V148 HydrophobicContact CG2-CG2 4.2Å; V146-R153 HydrophobicContact CB-CG 4.41Å; V146-L154 CarbonylContact C-O 3.59Å; V146-L154 WeakPolarHBondContact CA-O 3.37Å
147E89.2Confident82.5Confident39 Ų3979.6 Ų79.618%0.18236%0.363CS..EExtended strand (participates in β ladder)trans-100.1121.3162.9-177.9-176.9168.400108.7R120 F121 L154 H156R120-E147 CarbonylContact O-C 3.56Å; R120-E147 VanDerWaalsContact O-CA 3.23Å; R120-E147 WeakPolarHBondContact O-CA 3.36Å; F121-E147 HydrophobicContact CD1-CB 4.06Å; F121-E147 HydrophobicContact CD1-CG 4.46Å; F121-E147 HydrophobicContact CE1-CB 3.94Å; F121-E147 HydrophobicContact CE1-CG 4.16Å; F121-E147 HydrophobicContact CE2-CG 4.43Å; F121-E147 HydrophobicContact CZ-CB 4.42Å; F121-E147 HydrophobicContact CZ-CG 4.14Å; E147-L154 PolarHBondContact N-O 2.72Å; E147-L154 PolarHBondContact O-N 2.92Å; E147-H156 WeakPolarHBondContact CB-NE2 3.37Å; E147-H156 IonicContact OE2-CE1 3.86Å; E147-H156 PolarHBondContact OE2-CE1 3.11Å; E147-H156 IonicContact OE2-NE2 2.69Å; E147-H156 PolarHBondContact OE2-NE2 3.37Å
148V81.2Confident84.4Confident75 Ų7572.9 Ų72.946%0.45533%0.333SS..EExtended strand (participates in β ladder)trans-103.2103.2177.3-173.70000107.8R120 V146R120-V148 PolarHBondContact O-N 3.29Å; V146-V148 HydrophobicContact CG2-CG2 4.2Å
149N80.7Confident86.1Confident86 Ų8666.2 Ų66.246%0.4630%0.302SS..  trans-98.6160.1169.3-166.2-19.9000109.4F151 R152N149-F151 PolarHBondContact O-N 3.41Å; N149-R152 PolarHBondContact N-O 2.76Å; N149-R152 VanDerWaalsContact N-O 3.09Å; N149-R152 PolarHBondContact O-N 2.85Å
150R79.4Confident87.1Confident230 Ų23069.1 Ų69.187%0.86831%0.313SS*.SBendtrans-54.9-24.5179.6-65.3-172.1178.9179.2-0113.9
151F83.6Confident87.5Confident197 Ų19765.8 Ų65.886%0.86429%0.293SS*.SBendtrans-96.7-36.6-179.5-176-119.7000113.5N149N149-F151 PolarHBondContact O-N 3.41Å
152R87Confident87.5Confident178 Ų17870.1 Ų70.167%0.67231%0.312SS*.  trans-156.9144-167.1-170.6172.1177.9-179.90.2111.7N149N149-R152 PolarHBondContact N-O 2.76Å; N149-R152 VanDerWaalsContact N-O 3.09Å; N149-R152 PolarHBondContact O-N 2.85Å
153R83.6Confident87.3Confident93 Ų9369 Ų6935%0.35132%0.317SS..EExtended strand (participates in β ladder)trans-84.6122.1163.8179.5-173.9-174.7-98.411.5108.9E124 E144 V146 T155E124-R153 IonicContact OE2-CZ 2.77Å; E124-R153 IonicContact OE2-NE 3.2Å; E124-R153 PolarHBondContact OE2-NE 3.36Å; E124-R153 IonicContact OE2-NH2 3.35Å; E124-R153 PolarHBondContact OE2-NH2 2.88Å; E144-R153 IonicContact OE2-CZ 2.91Å; E144-R153 IonicContact OE2-NH1 2.69Å; E144-R153 PolarHBondContact OE2-NH1 2.82Å; E144-R153 IonicContact OE2-NH2 3.87Å; E144-R153 PolarHBondContact OE2-NH2 2.79Å; V146-R153 HydrophobicContact CB-CG 4.41Å; R153-T155 PolarHBondContact NH1-OG1 3.35Å
154L89.4Confident87Confident84 Ų8469.3 Ų69.344%0.4432%0.32SS..EExtended strand (participates in β ladder)trans-113.7122.7176.2-177.265.1000109.2V146 E147V146-L154 CarbonylContact C-O 3.59Å; V146-L154 WeakPolarHBondContact CA-O 3.37Å; E147-L154 PolarHBondContact N-O 2.72Å; E147-L154 PolarHBondContact O-N 2.92Å
155T88.6Confident86.5Confident49 Ų4971.7 Ų71.730%0.30134%0.341SS..EExtended strand (participates in β ladder)trans-86.6116.9171.7-57.60000108.2E144 R153 Y158E144-T155 HydrophobicContact CB-CG2 4.11Å; E144-T155 HydrophobicContact CG-CG2 4.38Å; E144-T155 PolarHBondContact OE2-OG1 2.92Å; R153-T155 PolarHBondContact NH1-OG1 3.35Å; T155-Y158 HydrophobicContact CG2-CD1 4.45Å
156H86.3Confident86.1Confident70 Ų7076.4 Ų76.432%0.32437%0.37SS..EExtended strand (participates in β ladder)trans-80-38.6177.9-77.9-79.9000112L106 F121 V145 E147L106-H156 HydrophobicContact CD1-CB 4.46Å; L106-H156 HydrophobicContact CD2-CB 4.2Å; F121-H156 AromaticContact CE1-CD2 3.74Å; F121-H156 AromaticContact CE1-NE2 3.38Å; F121-H156 WeakPolarHBondContact CE1-NE2 3.33Å; V145-H156 PolarHBondContact O-N 2.89Å; E147-H156 WeakPolarHBondContact CB-NE2 3.37Å; E147-H156 IonicContact OE2-CE1 3.86Å; E147-H156 PolarHBondContact OE2-CE1 3.11Å; E147-H156 IonicContact OE2-NE2 2.69Å; E147-H156 PolarHBondContact OE2-NE2 3.37Å
157L90.6Very high86Confident9 Ų983.8 Ų83.85%0.04740%0.404CS..EExtended strand (participates in β ladder)trans-156.1142180-178.269000108.5L92 F99 L103 L106 E144 V145 I159L92-L157 HydrophobicContact CD1-CD1 4.11Å; L92-L157 HydrophobicContact CD2-CD1 4.02Å; F99-L157 HydrophobicContact CE2-CD1 3.89Å; F99-L157 HydrophobicContact CE2-CD2 3.98Å; F99-L157 HydrophobicContact CZ-CD1 4.32Å; F99-L157 HydrophobicContact CZ-CD2 4.14Å; L103-L157 HydrophobicContact CD1-CD2 3.64Å; L106-L157 HydrophobicContact CD2-CB 3.92Å; L106-L157 HydrophobicContact CD2-CD2 4.34Å; E144-L157 CarbonylContact C-O 3.42Å; E144-L157 WeakPolarHBondContact CA-O 3.29Å; V145-L157 PolarHBondContact N-O 2.93Å; L157-I159 HydrophobicContact CD2-CD1 4.46Å
158Y90.4Very high85.8Confident41 Ų4185.9 Ų85.916%0.16141%0.414CS..EExtended strand (participates in β ladder)trans-126.8146.4165.369.1-93.8000111.8Q90 R142 L143 T155 E160Q90-Y158 HydrophobicContact CB-CE1 4.46Å; Q90-Y158 HydrophobicContact CG-CD1 3.88Å; Q90-Y158 HydrophobicContact CG-CE1 3.27Å; Q90-Y158 HydrophobicContact CG-CE2 4.47Å; Q90-Y158 VanDerWaalsContact NE2-CE2 3.32Å; Q90-Y158 VanDerWaalsContact NE2-CZ 3.29Å; Q90-Y158 PolarHBondContact NE2-O 2.84Å; Q90-Y158 PolarHBondContact OE1-O 3.29Å; R142-Y158 HydrophobicContact CG-CD2 4.07Å; R142-Y158 HydrophobicContact CG-CG 4.39Å; L143-Y158 CarbonylContact O-C 3.54Å; L143-Y158 WeakPolarHBondContact O-CA 3.49Å; T155-Y158 HydrophobicContact CG2-CD1 4.45Å; Y158-E160 HydrophobicContact CD2-CG 4.38Å; Y158-E160 HydrophobicContact CE2-CG 4.39Å
159I90.5Very high86Confident3 Ų384 Ų842%0.01540%0.401CS..EExtended strand (participates in β ladder)trans-125.3124.6176.3-60.6178.2000107.5T76 I78 L103 L143 L157 L161T76-I159 HydrophobicContact CG2-CG2 3.54Å; I78-I159 HydrophobicContact CD1-CG2 4.27Å; L103-I159 HydrophobicContact CD1-CD1 4.03Å; L103-I159 HydrophobicContact CD2-CD1 3.83Å; L143-I159 HydrophobicContact CB-CB 4.41Å; L143-I159 HydrophobicContact CD2-CB 4.31Å; L143-I159 HydrophobicContact CD2-CD1 4.22Å; L143-I159 PolarHBondContact N-O 3Å; L143-I159 PolarHBondContact O-N 3.44Å; L157-I159 HydrophobicContact CD2-CD1 4.46Å; I159-L161 HydrophobicContact CG2-CD2 4.22Å; I159-L161 HydrophobicContact CG2-CG 4.5Å; I159-L161 PolarHBondContact O-N 2.89Å
160E89.1Confident86.3Confident129 Ų12985.5 Ų85.560%0.60341%0.405SS*.EExtended strand (participates in β ladder)trans-79.1119.3172.6-67.6176.7-17300108.7T76 Y158T76-E160 WeakPolarHBondContact CB-O 3.43Å; T76-E160 PolarHBondContact OG1-O 3.13Å; Y158-E160 HydrophobicContact CD2-CG 4.38Å; Y158-E160 HydrophobicContact CE2-CG 4.39Å
161L88.9Confident86.7Confident4 Ų481.1 Ų81.12%0.02140%0.395CS..EExtended strand (participates in β ladder)trans-110.2152.9177.1-59.8168.8000108.6V62 V64 L74 T76 A141 L143 I159V62-L161 HydrophobicContact CB-CD2 4.39Å; V62-L161 HydrophobicContact CG1-CD2 3.99Å; V64-L161 HydrophobicContact CG2-CD1 4.2Å; L74-L161 HydrophobicContact CB-CB 4.21Å; L74-L161 HydrophobicContact CB-CD1 4.17Å; L74-L161 HydrophobicContact CD1-CD1 4.24Å; T76-L161 HydrophobicContact CG2-CD2 3.75Å; A141-L161 HydrophobicContact CB-CB 4.18Å; A141-L161 PolarHBondContact N-O 2.87Å; A141-L161 CarbonylContact O-C 3.56Å; A141-L161 VanDerWaalsContact O-CA 3.32Å; A141-L161 WeakPolarHBondContact O-CA 3.23Å; A141-L161 WeakPolarHBondContact O-CB 3.37Å; A141-L161 PolarHBondContact O-N 2.91Å; L143-L161 HydrophobicContact CB-CD1 3.71Å; L143-L161 HydrophobicContact CB-CG 4.34Å; I159-L161 HydrophobicContact CG2-CD2 4.22Å; I159-L161 HydrophobicContact CG2-CG 4.5Å; I159-L161 PolarHBondContact O-N 2.89Å
162Q87.6Confident86.8Confident95 Ų9573.8 Ų73.844%0.44436%0.363SS..EExtended strand (participates in β ladder)trans-126.7152172.456-172.412.900109.4L74 T75 A164L74-Q162 WeakPolarHBondContact CA-O 3.31Å; T75-Q162 HydrophobicContact CG2-CG 4.29Å; T75-Q162 PolarHBondContact N-O 3.45Å; T75-Q162 VanDerWaalsContact O-CG 3.28Å; T75-Q162 WeakPolarHBondContact O-CG 3.11Å; T75-Q162 PolarHBondContact O-N 3.05Å; Q162-A164 PolarHBondContact O-N 2.88Å
163S84.6Confident86.9Confident57 Ų5767.7 Ų67.740%0.39934%0.344SS..EExtended strand (participates in β ladder)trans-54.5133166.5-1720000109.2N139N139-S163 PolarHBondContact O-N 2.65Å; N139-S163 VanDerWaalsContact O-N 3.14Å
164A83.5Confident87.2Confident11 Ų1167.2 Ų67.29%0.09135%0.354CS..PPolyproline II helixtrans-62.1145.7176.300000111.1L73 T75 Q162 Q168L73-A164 HydrophobicContact CB-CB 3.98Å; L73-A164 HydrophobicContact CD2-CB 3.44Å; L73-A164 VanDerWaalsContact CD2-CB 3.44Å; L73-A164 HydrophobicContact CG-CB 3.47Å; L73-A164 VanDerWaalsContact CG-CB 3.47Å; L73-A164 WeakPolarHBondContact O-CB 3.39Å; L73-A164 PolarHBondContact O-N 3.47Å; T75-A164 HydrophobicContact CG2-CB 3.8Å; Q162-A164 PolarHBondContact O-N 2.88Å; A164-Q168 HydrophobicContact CB-CB 4.11Å
165A82.2Confident87.2Confident55 Ų5567.2 Ų67.246%0.45536%0.36SS..PPolyproline II helixtrans-61.8152.2173.200000110.1E167 Q168 L169A165-E167 PolarHBondContact O-N 2.82Å; A165-Q168 PolarHBondContact O-N 3.06Å; A165-L169 PolarHBondContact O-N 3.46Å; A165-L169 VanDerWaalsContact O-N 3.08Å
166T82.7Confident87.2Confident100 Ų10068.4 Ų68.461%0.61337%0.365SS*.Hα-helixtrans-50.2-38.5-178.4-50.30000112.7L169 Q170T166-L169 PolarHBondContact O-N 2.67Å; T166-Q170 HydrophobicContact CG2-CG 4.41Å; T166-Q170 WeakPolarHBondContact O-CB 3.31Å; T166-Q170 VanDerWaalsContact O-CG 3.23Å; T166-Q170 WeakPolarHBondContact O-CG 3.35Å; T166-Q170 PolarHBondContact O-N 3.45Å
167E86.8Confident87.4Confident154 Ų15469.3 Ų69.372%0.7238%0.375SS*.Hα-helixtrans-63.3-46.1179-64.6168.3-17300112.4A165 L169 Q170 E171A165-E167 PolarHBondContact O-N 2.82Å; E167-L169 VanDerWaalsContact C-N 3.35Å; E167-Q170 PolarHBondContact O-N 2.87Å; E167-E171 WeakPolarHBondContact O-CB 3.45Å; E167-E171 PolarHBondContact O-N 3.44Å
168Q84.5Confident87.5Confident84 Ų8472.7 Ų72.739%0.39340%0.396SS..Hα-helixtrans-67.4-37.9179-67.8177.8-15.800111.6L73 A164 A165 H172L73-Q168 HydrophobicContact CD2-CB 4.41Å; A164-Q168 HydrophobicContact CB-CB 4.11Å; A165-Q168 PolarHBondContact O-N 3.06Å; Q168-H172 WeakPolarHBondContact O-CB 3.47Å; Q168-H172 PolarHBondContact O-N 3.11Å
169L86Confident87.5Confident36 Ų3672 Ų7219%0.18840%0.402CS..Hα-helixtrans-66.7-44175.4-179.660.8000111.1L71 L73 A165 T166 E167 H172 L173L71-L169 HydrophobicContact CD2-CD2 4.42Å; L73-L169 HydrophobicContact CB-CD1 3.96Å; L73-L169 HydrophobicContact CD2-CB 4.39Å; L73-L169 HydrophobicContact CD2-CD1 4.33Å; A165-L169 PolarHBondContact O-N 3.46Å; A165-L169 VanDerWaalsContact O-N 3.08Å; T166-L169 PolarHBondContact O-N 2.67Å; E167-L169 VanDerWaalsContact C-N 3.35Å; L169-H172 PolarHBondContact O-N 2.96Å; L169-L173 HydrophobicContact CD1-CD1 4.21Å; L169-L173 HydrophobicContact CD1-CG 4.19Å; L169-L173 HydrophobicContact CG-CD1 4.05Å; L169-L173 HydrophobicContact CG-CG 4.45Å; L169-L173 WeakPolarHBondContact O-CB 3.37Å; L169-L173 VanDerWaalsContact O-CG 3.29Å; L169-L173 WeakPolarHBondContact O-CG 3.44Å; L169-L173 PolarHBondContact O-N 3.28Å
170Q87.5Confident87.6Confident117 Ų11777.1 Ų77.155%0.54743%0.428SS..Hα-helixtrans-59.9-45.7175.2-77.5174.8-800111.7T166 E167 H172 L173 C174T166-Q170 HydrophobicContact CG2-CG 4.41Å; T166-Q170 WeakPolarHBondContact O-CB 3.31Å; T166-Q170 VanDerWaalsContact O-CG 3.23Å; T166-Q170 WeakPolarHBondContact O-CG 3.35Å; T166-Q170 PolarHBondContact O-N 3.45Å; E167-Q170 PolarHBondContact O-N 2.87Å; Q170-H172 VanDerWaalsContact C-N 3.33Å; Q170-H172 PolarHBondContact O-N 3.25Å; Q170-L173 PolarHBondContact O-N 3.34Å; Q170-C174 VanDerWaalsContact O-CB 3.3Å; Q170-C174 WeakPolarHBondContact O-CB 3.3Å; Q170-C174 PolarHBondContact O-N 2.99Å; Q170-C174 PolarHBondContact O-SG 3.37Å
171E87.7Confident87.9Confident138 Ų13874 Ų7465%0.64542%0.418SS*.Hα-helixtrans-59.2-44.8176-173.4-175.1-173.500111.6E167 C174 S175E167-E171 WeakPolarHBondContact O-CB 3.45Å; E167-E171 PolarHBondContact O-N 3.44Å; E171-C174 PolarHBondContact O-N 3.37Å; E171-S175 WeakPolarHBondContact O-CB 3.38Å; E171-S175 PolarHBondContact O-N 2.92Å
172H85.9Confident88.1Confident42 Ų4280.4 Ų80.419%0.19444%0.442CS..Hα-helixtrans-60.9-49.3177.5-178.248.7000112.2L73 Q168 L169 Q170 S175 L176L73-H172 HydrophobicContact CD2-CB 4.1Å; Q168-H172 WeakPolarHBondContact O-CB 3.47Å; Q168-H172 PolarHBondContact O-N 3.11Å; L169-H172 PolarHBondContact O-N 2.96Å; Q170-H172 VanDerWaalsContact C-N 3.33Å; Q170-H172 PolarHBondContact O-N 3.25Å; H172-S175 PolarHBondContact O-N 3.15Å; H172-L176 WeakPolarHBondContact NE2-CD1 3.46Å; H172-L176 WeakPolarHBondContact O-CG 3.47Å; H172-L176 PolarHBondContact O-N 2.99Å
173L89.1Confident88.5Confident51 Ų5181.2 Ų81.227%0.26745%0.446SS..Hα-helixtrans-63.3-43.7179.3-68.7174.5000111.4P70 L71 L169 Q170 S175 L176 V177P70-L173 HydrophobicContact CB-CD2 3.83Å; L71-L173 HydrophobicContact CD2-CD1 4.29Å; L169-L173 HydrophobicContact CD1-CD1 4.21Å; L169-L173 HydrophobicContact CD1-CG 4.19Å; L169-L173 HydrophobicContact CG-CD1 4.05Å; L169-L173 HydrophobicContact CG-CG 4.45Å; L169-L173 WeakPolarHBondContact O-CB 3.37Å; L169-L173 VanDerWaalsContact O-CG 3.29Å; L169-L173 WeakPolarHBondContact O-CG 3.44Å; L169-L173 PolarHBondContact O-N 3.28Å; Q170-L173 PolarHBondContact O-N 3.34Å; L173-S175 VanDerWaalsContact C-N 3.34Å; L173-S175 PolarHBondContact O-N 2.89Å; L173-L176 PolarHBondContact O-N 3.45Å; L173-V177 VanDerWaalsContact O-CG2 3.32Å; L173-V177 WeakPolarHBondContact O-CG2 3.44Å; L173-V177 PolarHBondContact O-N 2.69Å
174C90.3Very high89Confident83 Ų8385.2 Ų85.256%0.56145%0.452SS*.Hα-helixtrans-58.8-45.4174.6-75.40000111.5Q170 E171 L176 V177 V178Q170-C174 VanDerWaalsContact O-CB 3.3Å; Q170-C174 WeakPolarHBondContact O-CB 3.3Å; Q170-C174 PolarHBondContact O-N 2.99Å; Q170-C174 PolarHBondContact O-SG 3.37Å; E171-C174 PolarHBondContact O-N 3.37Å; C174-L176 VanDerWaalsContact C-N 3.34Å; C174-L176 PolarHBondContact O-N 3.24Å; C174-V177 PolarHBondContact O-N 3.03Å; C174-V178 WeakPolarHBondContact O-CB 3.32Å; C174-V178 VanDerWaalsContact O-CG2 3.28Å; C174-V178 WeakPolarHBondContact O-CG2 3.48Å; C174-V178 PolarHBondContact O-N 2.91Å
175S87.4Confident89.6Confident83 Ų8386.8 Ų86.858%0.5846%0.461SS*.Hα-helixtrans-61.9-41.1176.9-176.70000112.3E171 H172 L173 G179E171-S175 WeakPolarHBondContact O-CB 3.38Å; E171-S175 PolarHBondContact O-N 2.92Å; H172-S175 PolarHBondContact O-N 3.15Å; L173-S175 VanDerWaalsContact C-N 3.34Å; L173-S175 PolarHBondContact O-N 2.89Å; S175-G179 PolarHBondContact O-N 3.45Å
176L88.6Confident90.3Very high74 Ų7487.4 Ų87.439%0.38746%0.456SS..Hα-helixtrans-64.2-47.6176.7-74.6177.3000111.4H172 L173 C174 V178 G179 L180H172-L176 WeakPolarHBondContact NE2-CD1 3.46Å; H172-L176 WeakPolarHBondContact O-CG 3.47Å; H172-L176 PolarHBondContact O-N 2.99Å; L173-L176 PolarHBondContact O-N 3.45Å; C174-L176 VanDerWaalsContact C-N 3.34Å; C174-L176 PolarHBondContact O-N 3.24Å; L176-V178 PolarHBondContact O-N 3.45Å; L176-G179 PolarHBondContact O-N 3.41Å; L176-L180 WeakPolarHBondContact O-CB 3.28Å; L176-L180 WeakPolarHBondContact O-CG 3.34Å; L176-L180 PolarHBondContact O-N 2.95Å
177V91Very high90.9Very high89 Ų8986.6 Ų86.654%0.53945%0.448SS..Hα-helixtrans-62-43.1179.7171.30000111.2L173 C174 T181L173-V177 VanDerWaalsContact O-CG2 3.32Å; L173-V177 WeakPolarHBondContact O-CG2 3.44Å; L173-V177 PolarHBondContact O-N 2.69Å; C174-V177 PolarHBondContact O-N 3.03Å; V177-T181 VanDerWaalsContact O-CB 3.23Å; V177-T181 WeakPolarHBondContact O-CB 3.23Å; V177-T181 PolarHBondContact O-N 2.88Å; V177-T181 PolarHBondContact O-OG1 2.93Å
178V92.9Very high91.4Very high81 Ų8184.7 Ų84.749%0.49144%0.439SS..Hα-helixtrans-64.4-42.4176.6170.30000111.1C174 L176 T181 R182C174-V178 WeakPolarHBondContact O-CB 3.32Å; C174-V178 VanDerWaalsContact O-CG2 3.28Å; C174-V178 WeakPolarHBondContact O-CG2 3.48Å; C174-V178 PolarHBondContact O-N 2.91Å; L176-V178 PolarHBondContact O-N 3.45Å; V178-T181 PolarHBondContact O-N 3.02Å; V178-R182 WeakPolarHBondContact O-CB 3.46Å; V178-R182 PolarHBondContact O-N 3.2Å
179G91.1Very high92Very high27 Ų2786.5 Ų86.528%0.27845%0.445SS..Hα-helixtrans-58.9-54.7175.900000112.4S175 L176 T181 R182 E183S175-G179 PolarHBondContact O-N 3.45Å; L176-G179 PolarHBondContact O-N 3.41Å; G179-T181 VanDerWaalsContact C-N 3.32Å; G179-T181 PolarHBondContact O-N 3.24Å; G179-R182 WeakPolarHBondContact O-CB 3.46Å; G179-R182 PolarHBondContact O-N 3.04Å; G179-E183 PolarHBondContact O-N 3.49Å
180L91.9Very high92.5Very high110 Ų11090 Ų9058%0.57646%0.461SS*.Hα-helixtrans-63.3-37.1179.7-68.9172.6000112.2L176 R184L176-L180 WeakPolarHBondContact O-CB 3.28Å; L176-L180 WeakPolarHBondContact O-CG 3.34Å; L176-L180 PolarHBondContact O-N 2.95Å; L180-R184 VanDerWaalsContact O-CB 3.31Å; L180-R184 WeakPolarHBondContact O-CB 3.38Å; L180-R184 PolarHBondContact O-N 2.93Å
181T94.9Very high93Very high64 Ų6490 Ų9039%0.39346%0.463SS..Hα-helixtrans-64.3-41.9176.3-59.50000111.2V177 V178 G179 R184 T185V177-T181 VanDerWaalsContact O-CB 3.23Å; V177-T181 WeakPolarHBondContact O-CB 3.23Å; V177-T181 PolarHBondContact O-N 2.88Å; V177-T181 PolarHBondContact O-OG1 2.93Å; V178-T181 PolarHBondContact O-N 3.02Å; G179-T181 VanDerWaalsContact C-N 3.32Å; G179-T181 PolarHBondContact O-N 3.24Å; T181-R184 PolarHBondContact O-N 3.37Å; T181-T185 WeakPolarHBondContact O-CG2 3.46Å; T181-T185 PolarHBondContact O-N 2.7Å; T181-T185 PolarHBondContact O-OG1 2.9Å
182R94.7Very high93.4Very high138 Ų13890 Ų9052%0.52146%0.461SS..Hα-helixtrans-62.6-50.7176.4-173.5-173.4-61104.3-1.5111.4V178 G179 R184 T185 D186V178-R182 WeakPolarHBondContact O-CB 3.46Å; V178-R182 PolarHBondContact O-N 3.2Å; G179-R182 WeakPolarHBondContact O-CB 3.46Å; G179-R182 PolarHBondContact O-N 3.04Å; R182-R184 VanDerWaalsContact C-N 3.31Å; R182-R184 PolarHBondContact O-N 3.07Å; R182-T185 WeakPolarHBondContact CA-OG1 3.31Å; R182-T185 PolarHBondContact O-N 3.37Å; R182-T185 PolarHBondContact O-OG1 2.7Å; R182-D186 PolarHBondContact O-N 3.3Å
183E95.3Very high93.9Very high112 Ų11293.6 Ų93.652%0.52348%0.478SS..Hα-helixtrans-56.6-46177.5-175.1178.8-176.400111.5G179 T185 D186 L187G179-E183 PolarHBondContact O-N 3.49Å; E183-T185 VanDerWaalsContact C-N 3.32Å; E183-T185 PolarHBondContact O-N 3.47Å; E183-D186 PolarHBondContact O-N 3.25Å; E183-L187 HydrophobicContact CG-CD1 4.01Å; E183-L187 HydrophobicContact CG-CG 4.43Å; E183-L187 WeakPolarHBondContact O-CB 3.35Å; E183-L187 WeakPolarHBondContact O-CG 3.42Å; E183-L187 PolarHBondContact O-N 3.08Å
184R95.5Very high94.3Very high141 Ų14196.3 Ų96.353%0.53249%0.493SS..Hα-helixtrans-58.8-43.3175.4-175-87.5-63.4-176-3.5111.8L180 T181 R182 Q188L180-R184 VanDerWaalsContact O-CB 3.31Å; L180-R184 WeakPolarHBondContact O-CB 3.38Å; L180-R184 PolarHBondContact O-N 2.93Å; T181-R184 PolarHBondContact O-N 3.37Å; R182-R184 VanDerWaalsContact C-N 3.31Å; R182-R184 PolarHBondContact O-N 3.07Å; R184-Q188 WeakPolarHBondContact O-CB 3.21Å; R184-Q188 PolarHBondContact O-N 2.97Å
185T95.8Very high94.6Very high44 Ų4495.7 Ų95.727%0.2748%0.484SS..Hα-helixtrans-67.7-35.5178.554.30000113.1T181 R182 E183 K189T181-T185 WeakPolarHBondContact O-CG2 3.46Å; T181-T185 PolarHBondContact O-N 2.7Å; T181-T185 PolarHBondContact O-OG1 2.9Å; R182-T185 WeakPolarHBondContact CA-OG1 3.31Å; R182-T185 PolarHBondContact O-N 3.37Å; R182-T185 PolarHBondContact O-OG1 2.7Å; E183-T185 VanDerWaalsContact C-N 3.32Å; E183-T185 PolarHBondContact O-N 3.47Å; T185-K189 WeakPolarHBondContact O-CG 3.4Å; T185-K189 PolarHBondContact O-N 3.01Å; T185-K189 VanDerWaalsContact O-N 3.08Å
186D95.9Very high95Very high67 Ų6795 Ų9536%0.35847%0.471SS..Hα-helixtrans-74-42.7179.9-68.3-25.1000111.1R182 E183 Q188 K189 Q190R182-D186 PolarHBondContact O-N 3.3Å; E183-D186 PolarHBondContact O-N 3.25Å; D186-Q188 VanDerWaalsContact C-N 3.32Å; D186-Q188 PolarHBondContact O-N 3.45Å; D186-K189 PolarHBondContact O-N 2.97Å; D186-K189 IonicContact OD1-NZ 3.27Å; D186-Q190 WeakPolarHBondContact O-CG 3.33Å; D186-Q190 PolarHBondContact O-N 3.21Å
187L96.7Very high95.4Very high84 Ų8497.3 Ų97.344%0.4448%0.48SS..Hα-helixtrans-60.1-42.5171.6-71.4174.6000111.6E183 K189 Q190 I191E183-L187 HydrophobicContact CG-CD1 4.01Å; E183-L187 HydrophobicContact CG-CG 4.43Å; E183-L187 WeakPolarHBondContact O-CB 3.35Å; E183-L187 WeakPolarHBondContact O-CG 3.42Å; E183-L187 PolarHBondContact O-N 3.08Å; L187-K189 VanDerWaalsContact C-N 3.33Å; L187-K189 PolarHBondContact O-N 3.29Å; L187-Q190 PolarHBondContact O-N 3Å; L187-I191 VanDerWaalsContact O-CG1 3.3Å; L187-I191 WeakPolarHBondContact O-CG1 3.3Å; L187-I191 PolarHBondContact O-N 3.12Å
188Q96.8Very high95.7Very high113 Ų11398.8 Ų98.853%0.52848%0.484SS..Hα-helixtrans-62.6-39.1177.6-173.5171.610.200112.3R184 D186 F192R184-Q188 WeakPolarHBondContact O-CB 3.21Å; R184-Q188 PolarHBondContact O-N 2.97Å; D186-Q188 VanDerWaalsContact C-N 3.32Å; D186-Q188 PolarHBondContact O-N 3.45Å; Q188-F192 PolarHBondContact O-N 2.97Å; Q188-F192 VanDerWaalsContact O-N 3.12Å
189K96.3Very high95.9Very high122 Ų12299.7 Ų99.753%0.5348%0.482SS..Hα-helixtrans-66.2-43.6174.2-72.7169-172166.50112.1T185 D186 L187 F192 Q193T185-K189 WeakPolarHBondContact O-CG 3.4Å; T185-K189 PolarHBondContact O-N 3.01Å; T185-K189 VanDerWaalsContact O-N 3.08Å; D186-K189 PolarHBondContact O-N 2.97Å; D186-K189 IonicContact OD1-NZ 3.27Å; L187-K189 VanDerWaalsContact C-N 3.33Å; L187-K189 PolarHBondContact O-N 3.29Å; K189-F192 PolarHBondContact O-N 3.41Å; K189-Q193 WeakPolarHBondContact O-CG 3.5Å; K189-Q193 PolarHBondContact O-N 3.27Å
190Q97.7Very high96.2Very high109 Ų109105.3 Ų105.351%0.50950%0.498SS..Hα-helixtrans-62-45177.9-73.1176.81500111.4D186 L187 F192 Q193 L194D186-Q190 WeakPolarHBondContact O-CG 3.33Å; D186-Q190 PolarHBondContact O-N 3.21Å; L187-Q190 PolarHBondContact O-N 3Å; Q190-F192 VanDerWaalsContact C-N 3.32Å; Q190-F192 PolarHBondContact O-N 3.31Å; Q190-Q193 PolarHBondContact O-N 3.42Å; Q190-L194 WeakPolarHBondContact O-CB 3.37Å; Q190-L194 WeakPolarHBondContact O-CG 3.39Å; Q190-L194 PolarHBondContact O-N 2.92Å
191I96.7Very high96.4Very high117 Ų117104.7 Ų104.760%0.649%0.493SS*.Hα-helixtrans-59.2-44.6176.4-70.9167.5000110.8L187 L194 D195L187-I191 VanDerWaalsContact O-CG1 3.3Å; L187-I191 WeakPolarHBondContact O-CG1 3.3Å; L187-I191 PolarHBondContact O-N 3.12Å; I191-L194 PolarHBondContact O-N 3.46Å; I191-D195 WeakPolarHBondContact O-CB 3.34Å; I191-D195 PolarHBondContact O-N 2.99Å
192F96.5Very high96.5Very high139 Ų139108 Ų10861%0.6150%0.501SS*.Hα-helixtrans-63.5-42178.7-178.3-96000112.7Q188 K189 Q190 D195 E196Q188-F192 PolarHBondContact O-N 2.97Å; Q188-F192 VanDerWaalsContact O-N 3.12Å; K189-F192 PolarHBondContact O-N 3.41Å; Q190-F192 VanDerWaalsContact C-N 3.32Å; Q190-F192 PolarHBondContact O-N 3.31Å; F192-D195 PolarHBondContact O-N 3.45Å; F192-E196 HydrophobicContact CE1-CG 4.24Å; F192-E196 HydrophobicContact CZ-CG 4.17Å; F192-E196 PolarHBondContact O-N 2.99Å; F192-E196 VanDerWaalsContact O-N 3.17Å
193Q96.7Very high96.6Very high117 Ų117107.5 Ų107.555%0.54750%0.503SS..Hα-helixtrans-63.5-47177-73.5173.4-6.800111.6K189 Q190 D195 E196 E197K189-Q193 WeakPolarHBondContact O-CG 3.5Å; K189-Q193 PolarHBondContact O-N 3.27Å; Q190-Q193 PolarHBondContact O-N 3.42Å; Q193-D195 VanDerWaalsContact C-N 3.32Å; Q193-D195 PolarHBondContact O-N 3.31Å; Q193-E196 PolarHBondContact O-N 3.42Å; Q193-E197 WeakPolarHBondContact O-CG 3.42Å; Q193-E197 PolarHBondContact O-N 3.17Å
194L97Very high96.7Very high109 Ų109108 Ų10857%0.57150%0.504SS*.Hα-helixtrans-62.7-37.6178.4-72172.2000112.4Q190 I191 E197 L198Q190-L194 WeakPolarHBondContact O-CB 3.37Å; Q190-L194 WeakPolarHBondContact O-CG 3.39Å; Q190-L194 PolarHBondContact O-N 2.92Å; I191-L194 PolarHBondContact O-N 3.46Å; L194-E197 PolarHBondContact O-N 3.23Å; L194-L198 VanDerWaalsContact O-CB 3.26Å; L194-L198 WeakPolarHBondContact O-CB 3.43Å; L194-L198 PolarHBondContact O-N 3.15Å
195D97.3Very high96.8Very high70 Ų70105.6 Ų105.637%0.37450%0.498SS..Hα-helixtrans-66.1-41.8177.2-174.659.7000112.2I191 F192 Q193 L198 K199I191-D195 WeakPolarHBondContact O-CB 3.34Å; I191-D195 PolarHBondContact O-N 2.99Å; F192-D195 PolarHBondContact O-N 3.45Å; Q193-D195 VanDerWaalsContact C-N 3.32Å; Q193-D195 PolarHBondContact O-N 3.31Å; D195-L198 PolarHBondContact O-N 2.97Å; D195-K199 VanDerWaalsContact O-CG 3.31Å; D195-K199 WeakPolarHBondContact O-CG 3.26Å; D195-K199 PolarHBondContact O-N 2.9Å; D195-K199 WeakPolarHBondContact OD2-CE 3.43Å; D195-K199 IonicContact OD2-NZ 3.49Å; D195-K199 PolarHBondContact OD2-NZ 2.68Å
196E96.5Very high96.8Very high69 Ų69107.7 Ų107.732%0.32251%0.505SS..Hα-helixtrans-68.9-36.7175.9-77.9-61.8122.300112.8F192 Q193 K199 K200F192-E196 HydrophobicContact CE1-CG 4.24Å; F192-E196 HydrophobicContact CZ-CG 4.17Å; F192-E196 PolarHBondContact O-N 2.99Å; F192-E196 VanDerWaalsContact O-N 3.17Å; Q193-E196 PolarHBondContact O-N 3.42Å; E196-K199 WeakPolarHBondContact OE1-CD 3.14Å; E196-K199 IonicContact OE1-NZ 2.66Å; E196-K199 PolarHBondContact OE1-NZ 3.47Å; E196-K200 WeakPolarHBondContact O-CG 3.31Å; E196-K200 PolarHBondContact O-N 3.42Å; E196-K200 VanDerWaalsContact O-N 3.15Å
197E97.1Very high96.8Very high122 Ų122109.7 Ų109.757%0.5751%0.512SS*.Hα-helixtrans-64-45.3172.1-74.1177.5-178.500111.5Q193 L194 K199 K200 E201Q193-E197 WeakPolarHBondContact O-CG 3.42Å; Q193-E197 PolarHBondContact O-N 3.17Å; L194-E197 PolarHBondContact O-N 3.23Å; E197-K199 PolarHBondContact O-N 3.44Å; E197-K200 PolarHBondContact O-N 3Å; E197-E201 PolarHBondContact O-N 3.48Å
198L96.7Very high96.9Very high120 Ų120108.7 Ų108.763%0.62851%0.507SS*.Hα-helixtrans-62-42178.3-174.467.3000111.9L194 D195 E201 K202L194-L198 VanDerWaalsContact O-CB 3.26Å; L194-L198 WeakPolarHBondContact O-CB 3.43Å; L194-L198 PolarHBondContact O-N 3.15Å; D195-L198 PolarHBondContact O-N 2.97Å; L198-E201 PolarHBondContact O-N 2.9Å; L198-K202 VanDerWaalsContact O-CB 3.25Å; L198-K202 WeakPolarHBondContact O-CB 3.25Å; L198-K202 PolarHBondContact O-N 3.13Å
199K97Very high96.9Very high100 Ų100106 Ų10644%0.43550%0.499SS..Hα-helixtrans-62.3-41.3175.6-76.8166.4179.9158.60112.5D195 E196 E197 K203D195-K199 VanDerWaalsContact O-CG 3.31Å; D195-K199 WeakPolarHBondContact O-CG 3.26Å; D195-K199 PolarHBondContact O-N 2.9Å; D195-K199 WeakPolarHBondContact OD2-CE 3.43Å; D195-K199 IonicContact OD2-NZ 3.49Å; D195-K199 PolarHBondContact OD2-NZ 2.68Å; E196-K199 WeakPolarHBondContact OE1-CD 3.14Å; E196-K199 IonicContact OE1-NZ 2.66Å; E196-K199 PolarHBondContact OE1-NZ 3.47Å; E197-K199 PolarHBondContact O-N 3.44Å; K199-K203 PolarHBondContact O-N 2.95Å
200K96.7Very high96.9Very high144 Ų144106.5 Ų106.563%0.62650%0.501SS*.Hα-helixtrans-64.9-46.5177.9-74.7173.9-174.3173.90111.5E196 E197 K203 K204E196-K200 WeakPolarHBondContact O-CG 3.31Å; E196-K200 PolarHBondContact O-N 3.42Å; E196-K200 VanDerWaalsContact O-N 3.15Å; E197-K200 PolarHBondContact O-N 3Å; K200-K203 PolarHBondContact O-N 3.35Å; K200-K204 PolarHBondContact O-N 3.08Å; K200-K204 VanDerWaalsContact O-N 3.08Å
201E96.7Very high96.9Very high98 Ų98105.7 Ų105.746%0.45850%0.5SS..Hα-helixtrans-67.2-39.6179.2-162.661.1-154.400111.2E197 L198 K203 K204 E205E197-E201 PolarHBondContact O-N 3.48Å; L198-E201 PolarHBondContact O-N 2.9Å; E201-K203 PolarHBondContact O-N 3.03Å; E201-K204 PolarHBondContact O-N 3.34Å; E201-K204 IonicContact OE1-NZ 2.65Å; E201-K204 PolarHBondContact OE1-NZ 3.49Å; E201-K204 VanDerWaalsContact OE1-NZ 3.13Å; E201-K204 IonicContact OE2-NZ 3.53Å; E201-E205 PolarHBondContact O-N 3.04Å
202K96.9Very high96.8Very high132 Ų132104.6 Ų104.657%0.57449%0.492SS*.Hα-helixtrans-57.1-47.3173.6-179.2178.5174.4-178.80112L198 K204 E205 E206L198-K202 VanDerWaalsContact O-CB 3.25Å; L198-K202 WeakPolarHBondContact O-CB 3.25Å; L198-K202 PolarHBondContact O-N 3.13Å; K202-K204 PolarHBondContact O-N 3.02Å; K202-E205 PolarHBondContact O-N 3.35Å; K202-E206 WeakPolarHBondContact CE-OE1 3.04Å; K202-E206 WeakPolarHBondContact O-CG 3.4Å; K202-E206 PolarHBondContact O-N 2.95Å
203K97.4Very high96.9Very high129 Ų129103.6 Ų103.656%0.56149%0.489SS*.Hα-helixtrans-62-43.8179-177.1-178.6174.4-173.60111.8K199 K200 E201 E205 E206 E207K199-K203 PolarHBondContact O-N 2.95Å; K200-K203 PolarHBondContact O-N 3.35Å; E201-K203 PolarHBondContact O-N 3.03Å; K203-E205 VanDerWaalsContact C-N 3.33Å; K203-E205 PolarHBondContact O-N 3.42Å; K203-E206 PolarHBondContact O-N 3.49Å; K203-E207 WeakPolarHBondContact CE-OE1 3.43Å; K203-E207 WeakPolarHBondContact O-CG 3.48Å; K203-E207 PolarHBondContact O-N 2.94Å
204K97.1Very high96.9Very high122 Ų122103.8 Ų103.853%0.5349%0.493SS..Hα-helixtrans-61.9-41.4178-179.6-174.8162.9-1490111.6K200 E201 K202 E207 N208K200-K204 PolarHBondContact O-N 3.08Å; K200-K204 VanDerWaalsContact O-N 3.08Å; E201-K204 PolarHBondContact O-N 3.34Å; E201-K204 IonicContact OE1-NZ 2.65Å; E201-K204 PolarHBondContact OE1-NZ 3.49Å; E201-K204 VanDerWaalsContact OE1-NZ 3.13Å; E201-K204 IonicContact OE2-NZ 3.53Å; K202-K204 PolarHBondContact O-N 3.02Å; K204-E207 PolarHBondContact O-N 3.41Å; K204-N208 WeakPolarHBondContact O-CB 3.14Å; K204-N208 PolarHBondContact O-N 3.28Å
205E96.3Very high96.9Very high90 Ų90104 Ų10442%0.42149%0.491SS..Hα-helixtrans-69.2-39.8177.3-168.857.7-156.900112E201 K202 K203 E207 N208 V209E201-E205 PolarHBondContact O-N 3.04Å; K202-E205 PolarHBondContact O-N 3.35Å; K203-E205 VanDerWaalsContact C-N 3.33Å; K203-E205 PolarHBondContact O-N 3.42Å; E205-E207 VanDerWaalsContact C-N 3.31Å; E205-E207 PolarHBondContact O-N 2.95Å; E205-N208 WeakPolarHBondContact O-CB 3.47Å; E205-N208 PolarHBondContact O-N 3.2Å; E205-V209 WeakPolarHBondContact O-CG2 3.26Å; E205-V209 PolarHBondContact O-N 3.38Å
206E96.9Very high96.9Very high89 Ų89105.2 Ų105.242%0.41650%0.497SS..Hα-helixtrans-60.4-38.3173.6-75.2176.1-177.700112.6K202 K203 K210K202-E206 WeakPolarHBondContact CE-OE1 3.04Å; K202-E206 WeakPolarHBondContact O-CG 3.4Å; K202-E206 PolarHBondContact O-N 2.95Å; K203-E206 PolarHBondContact O-N 3.49Å; E206-K210 VanDerWaalsContact O-CG 3.26Å; E206-K210 WeakPolarHBondContact O-CG 3.38Å; E206-K210 PolarHBondContact O-N 3.33Å; E206-K210 VanDerWaalsContact O-N 3.14Å
207E96.7Very high96.9Very high108 Ų108105.1 Ų105.151%0.50550%0.499SS..Hα-helixtrans-68.2-40.4174.6-72.4172.7-179.600111.9K203 K204 E205 K210 L211K203-E207 WeakPolarHBondContact CE-OE1 3.43Å; K203-E207 WeakPolarHBondContact O-CG 3.48Å; K203-E207 PolarHBondContact O-N 2.94Å; K204-E207 PolarHBondContact O-N 3.41Å; E205-E207 VanDerWaalsContact C-N 3.31Å; E205-E207 PolarHBondContact O-N 2.95Å; E207-K210 PolarHBondContact O-N 3.19Å; E207-L211 PolarHBondContact O-N 3.46Å
208N96.8Very high96.8Very high64 Ų64101.9 Ų101.934%0.34249%0.49SS..Hα-helixtrans-63.4-46.1175.8-172.714.5000111.8K204 E205 K210 L211 Q212K204-N208 WeakPolarHBondContact O-CB 3.14Å; K204-N208 PolarHBondContact O-N 3.28Å; E205-N208 WeakPolarHBondContact O-CB 3.47Å; E205-N208 PolarHBondContact O-N 3.2Å; N208-K210 PolarHBondContact O-N 3.07Å; N208-L211 WeakPolarHBondContact O-CB 3.49Å; N208-L211 PolarHBondContact O-N 3.45Å; N208-Q212 WeakPolarHBondContact O-CG 3.33Å; N208-Q212 PolarHBondContact O-N 2.87Å; N208-Q212 PolarHBondContact OD1-NE2 2.86Å
209V97.2Very high96.8Very high57 Ų5799.1 Ų99.135%0.34548%0.475SS..Hα-helixtrans-59.2-47176.2170.30000110.9E205 L211 Q212 E213E205-V209 WeakPolarHBondContact O-CG2 3.26Å; E205-V209 PolarHBondContact O-N 3.38Å; V209-L211 VanDerWaalsContact C-N 3.29Å; V209-L211 PolarHBondContact O-N 3.16Å; V209-Q212 PolarHBondContact O-N 3.33Å; V209-Q212 VanDerWaalsContact O-N 3.16Å; V209-E213 HydrophobicContact CG1-CG 4.28Å; V209-E213 WeakPolarHBondContact O-CB 3.35Å; V209-E213 WeakPolarHBondContact O-CG 3.45Å; V209-E213 PolarHBondContact O-N 3.11Å
210K96.9Very high96.8Very high131 Ų131103.1 Ų103.157%0.5749%0.488SS*.Hα-helixtrans-58.8-40.1176.8-74.6169.3-174.6170.10112.5E206 E207 N208 L214E206-K210 VanDerWaalsContact O-CG 3.26Å; E206-K210 WeakPolarHBondContact O-CG 3.38Å; E206-K210 PolarHBondContact O-N 3.33Å; E206-K210 VanDerWaalsContact O-N 3.14Å; E207-K210 PolarHBondContact O-N 3.19Å; N208-K210 PolarHBondContact O-N 3.07Å; K210-L214 PolarHBondContact O-N 3.14Å; K210-L214 VanDerWaalsContact O-N 3.11Å
211L96.7Very high96.8Very high93 Ų93102.4 Ų102.449%0.48749%0.485SS..Hα-helixtrans-64.8-45.1176.6178.862.2000111.4E207 N208 V209 L214 Q215E207-L211 PolarHBondContact O-N 3.46Å; N208-L211 WeakPolarHBondContact O-CB 3.49Å; N208-L211 PolarHBondContact O-N 3.45Å; V209-L211 VanDerWaalsContact C-N 3.29Å; V209-L211 PolarHBondContact O-N 3.16Å; L211-L214 PolarHBondContact O-N 3.03Å; L211-Q215 WeakPolarHBondContact O-CG 3.37Å; L211-Q215 PolarHBondContact O-N 3.37Å
212Q96.6Very high96.9Very high93 Ų93105.1 Ų105.144%0.43549%0.491SS..Hα-helixtrans-65.1-40.2178-70.3-179.71.400112.2N208 V209 L214 Q215 L216N208-Q212 WeakPolarHBondContact O-CG 3.33Å; N208-Q212 PolarHBondContact O-N 2.87Å; N208-Q212 PolarHBondContact OD1-NE2 2.86Å; V209-Q212 PolarHBondContact O-N 3.33Å; V209-Q212 VanDerWaalsContact O-N 3.16Å; Q212-L214 PolarHBondContact O-N 2.85Å; Q212-Q215 PolarHBondContact O-N 3.49Å; Q212-L216 WeakPolarHBondContact O-CB 3.35Å; Q212-L216 WeakPolarHBondContact O-CG 3.5Å; Q212-L216 PolarHBondContact O-N 3.48Å
213E97Very high96.9Very high119 Ų119104.9 Ų104.956%0.55649%0.49SS*.Hα-helixtrans-60.4-44.2175-75.1178.1161.200111.8V209 Q215 L216 D217V209-E213 HydrophobicContact CG1-CG 4.28Å; V209-E213 WeakPolarHBondContact O-CB 3.35Å; V209-E213 WeakPolarHBondContact O-CG 3.45Å; V209-E213 PolarHBondContact O-N 3.11Å; E213-Q215 PolarHBondContact O-N 2.73Å; E213-L216 PolarHBondContact O-N 2.9Å; E213-D217 WeakPolarHBondContact O-CB 3.46Å; E213-D217 PolarHBondContact O-N 3.35Å
214L97.1Very high96.9Very high120 Ų120102.7 Ų102.763%0.62849%0.491SS*.Hα-helixtrans-63.3-41.6176.2-171.872.3000111.7K210 L211 Q212 D217 S218K210-L214 PolarHBondContact O-N 3.14Å; K210-L214 VanDerWaalsContact O-N 3.11Å; L211-L214 PolarHBondContact O-N 3.03Å; Q212-L214 PolarHBondContact O-N 2.85Å; L214-D217 PolarHBondContact O-N 2.99Å; L214-S218 PolarHBondContact O-N 2.97Å
215Q97Very high96.9Very high114 Ų114103.2 Ų103.253%0.53349%0.493SS..Hα-helixtrans-63.4-45.5176.1-73.7179.2-1300111.6L211 Q212 E213 D217 S218 L219L211-Q215 WeakPolarHBondContact O-CG 3.37Å; L211-Q215 PolarHBondContact O-N 3.37Å; Q212-Q215 PolarHBondContact O-N 3.49Å; E213-Q215 PolarHBondContact O-N 2.73Å; Q215-D217 PolarHBondContact O-N 3.32Å; Q215-S218 PolarHBondContact O-N 3.49Å; Q215-S218 PolarHBondContact O-OG 3.27Å; Q215-L219 WeakPolarHBondContact O-CB 3.4Å; Q215-L219 PolarHBondContact O-N 3.44Å
216L96.7Very high96.9Very high95 Ų95102.1 Ų102.150%0.49749%0.493SS..Hα-helixtrans-62.5-41.1176.8-74.6174.4000112Q212 E213 L219 R220Q212-L216 WeakPolarHBondContact O-CB 3.35Å; Q212-L216 WeakPolarHBondContact O-CG 3.5Å; Q212-L216 PolarHBondContact O-N 3.48Å; E213-L216 PolarHBondContact O-N 2.9Å; L216-L219 PolarHBondContact O-N 2.85Å; L216-R220 WeakPolarHBondContact O-CB 3.36Å; L216-R220 VanDerWaalsContact O-CG 3.23Å; L216-R220 WeakPolarHBondContact O-CG 3.23Å; L216-R220 PolarHBondContact O-N 3.32Å
217D96.6Very high97Very high68 Ų68101.4 Ų101.436%0.36449%0.494SS..Hα-helixtrans-63.3-44.7175.9-176.159.2000111.6E213 L214 Q215 L219 R220 K221E213-D217 WeakPolarHBondContact O-CB 3.46Å; E213-D217 PolarHBondContact O-N 3.35Å; L214-D217 PolarHBondContact O-N 2.99Å; Q215-D217 PolarHBondContact O-N 3.32Å; D217-L219 VanDerWaalsContact C-N 3.28Å; D217-L219 PolarHBondContact O-N 3.42Å; D217-R220 PolarHBondContact O-N 2.93Å; D217-K221 WeakPolarHBondContact O-CB 3.27Å; D217-K221 WeakPolarHBondContact O-CG 3.28Å; D217-K221 PolarHBondContact O-N 3.1Å; D217-K221 IonicContact OD1-NZ 3.57Å; D217-K221 WeakPolarHBondContact OD2-CE 3.18Å; D217-K221 IonicContact OD2-NZ 3.47Å; D217-K221 PolarHBondContact OD2-NZ 2.66Å
218S96.7Very high97Very high53 Ų5398.9 Ų98.937%0.37149%0.492SS..Hα-helixtrans-61.3-37.8176.180.90000112.5L214 Q215 R222L214-S218 PolarHBondContact O-N 2.97Å; Q215-S218 PolarHBondContact O-N 3.49Å; Q215-S218 PolarHBondContact O-OG 3.27Å; S218-R222 WeakPolarHBondContact O-CG 3.45Å; S218-R222 PolarHBondContact O-N 2.83Å; S218-R222 VanDerWaalsContact O-N 3.1Å
219L96Very high97Very high63 Ų6399.9 Ų99.933%0.3350%0.495SS..Hα-helixtrans-74.1-41.5-179.9-171.963000111.1Q215 L216 D217 K221 R222 F223Q215-L219 WeakPolarHBondContact O-CB 3.4Å; Q215-L219 PolarHBondContact O-N 3.44Å; L216-L219 PolarHBondContact O-N 2.85Å; D217-L219 VanDerWaalsContact C-N 3.28Å; D217-L219 PolarHBondContact O-N 3.42Å; L219-K221 PolarHBondContact O-N 2.89Å; L219-R222 PolarHBondContact O-N 3.3Å; L219-F223 HydrophobicContact CD1-CD2 4.1Å; L219-F223 HydrophobicContact CD1-CE2 3.6Å; L219-F223 HydrophobicContact CD1-CZ 4.01Å; L219-F223 HydrophobicContact CD2-CE2 3.86Å; L219-F223 HydrophobicContact CG-CD2 3.77Å; L219-F223 HydrophobicContact CG-CE2 3.43Å; L219-F223 VanDerWaalsContact CG-CE2 3.43Å; L219-F223 HydrophobicContact CG-CZ 4.32Å; L219-F223 VanDerWaalsContact O-CD2 3.27Å; L219-F223 WeakPolarHBondContact O-CD2 3.41Å; L219-F223 PolarHBondContact O-N 3.48Å
220R97.1Very high97Very high183 Ų183102 Ų10269%0.69150%0.503SS*.Hα-helixtrans-59.4-44.2172.8-76.5174.3-179.4-1671.9111.7L216 D217 F223 S224L216-R220 WeakPolarHBondContact O-CB 3.36Å; L216-R220 VanDerWaalsContact O-CG 3.23Å; L216-R220 WeakPolarHBondContact O-CG 3.23Å; L216-R220 PolarHBondContact O-N 3.32Å; D217-R220 PolarHBondContact O-N 2.93Å; R220-F223 PolarHBondContact O-N 3.35Å; R220-S224 VanDerWaalsContact O-CB 3.28Å; R220-S224 WeakPolarHBondContact O-CB 3.38Å; R220-S224 PolarHBondContact O-N 3.35Å
221K97.1Very high97Very high130 Ų130104.5 Ų104.557%0.56551%0.509SS*.Hα-helixtrans-61.7-44.7175.9-76.1171177164.50112.1D217 L219 S224 K225D217-K221 WeakPolarHBondContact O-CB 3.27Å; D217-K221 WeakPolarHBondContact O-CG 3.28Å; D217-K221 PolarHBondContact O-N 3.1Å; D217-K221 IonicContact OD1-NZ 3.57Å; D217-K221 WeakPolarHBondContact OD2-CE 3.18Å; D217-K221 IonicContact OD2-NZ 3.47Å; D217-K221 PolarHBondContact OD2-NZ 2.66Å; L219-K221 PolarHBondContact O-N 2.89Å; K221-S224 PolarHBondContact O-N 3.45Å; K221-K225 WeakPolarHBondContact O-CB 3.48Å; K221-K225 PolarHBondContact O-N 3.35Å
222R97.8Very high97.1Very high155 Ų155105.3 Ų105.359%0.58551%0.51SS*.Hα-helixtrans-61.6-48.9175.4-77.1-171.4-69.4155.7-5.7112S218 L219 S224 K225 T226S218-R222 WeakPolarHBondContact O-CG 3.45Å; S218-R222 PolarHBondContact O-N 2.83Å; S218-R222 VanDerWaalsContact O-N 3.1Å; L219-R222 PolarHBondContact O-N 3.3Å; R222-S224 PolarHBondContact O-N 3.44Å; R222-K225 PolarHBondContact O-N 2.91Å; R222-T226 PolarHBondContact O-N 3.39Å; R222-T226 PolarHBondContact O-OG1 3.34Å
223F96.8Very high97.1Very high126 Ų126106.9 Ų106.955%0.55352%0.518SS*.Hα-helixtrans-61.9-42.7177.4-76.7-49.3000112.5L219 R220 K225 T226 V227L219-F223 HydrophobicContact CD1-CD2 4.1Å; L219-F223 HydrophobicContact CD1-CE2 3.6Å; L219-F223 HydrophobicContact CD1-CZ 4.01Å; L219-F223 HydrophobicContact CD2-CE2 3.86Å; L219-F223 HydrophobicContact CG-CD2 3.77Å; L219-F223 HydrophobicContact CG-CE2 3.43Å; L219-F223 VanDerWaalsContact CG-CE2 3.43Å; L219-F223 HydrophobicContact CG-CZ 4.32Å; L219-F223 VanDerWaalsContact O-CD2 3.27Å; L219-F223 WeakPolarHBondContact O-CD2 3.41Å; L219-F223 PolarHBondContact O-N 3.48Å; R220-F223 PolarHBondContact O-N 3.35Å; F223-K225 VanDerWaalsContact C-N 3.29Å; F223-K225 PolarHBondContact O-N 2.95Å; F223-T226 PolarHBondContact O-N 3.21Å; F223-V227 WeakPolarHBondContact O-CB 3.26Å; F223-V227 VanDerWaalsContact O-CG2 3.26Å; F223-V227 WeakPolarHBondContact O-CG2 3.44Å; F223-V227 PolarHBondContact O-N 2.98Å
224S97.7Very high97.1Very high84 Ų84107.3 Ų107.359%0.58752%0.519SS*.Hα-helixtrans-59.1-41.9175.8-173.60000111.7R220 K221 R222 A228R220-S224 VanDerWaalsContact O-CB 3.28Å; R220-S224 WeakPolarHBondContact O-CB 3.38Å; R220-S224 PolarHBondContact O-N 3.35Å; K221-S224 PolarHBondContact O-N 3.45Å; R222-S224 PolarHBondContact O-N 3.44Å; S224-A228 WeakPolarHBondContact O-CB 3.49Å; S224-A228 PolarHBondContact O-N 2.95Å; S224-A228 VanDerWaalsContact O-N 3.09Å
225K97.2Very high97.1Very high132 Ų132105.9 Ų105.957%0.57451%0.509SS*.Hα-helixtrans-63.8-52176.4179.5178.7170.4179.30111.4K221 R222 F223 V227 A228 E229K221-K225 WeakPolarHBondContact O-CB 3.48Å; K221-K225 PolarHBondContact O-N 3.35Å; R222-K225 PolarHBondContact O-N 2.91Å; F223-K225 VanDerWaalsContact C-N 3.29Å; F223-K225 PolarHBondContact O-N 2.95Å; K225-V227 VanDerWaalsContact C-N 3.3Å; K225-V227 PolarHBondContact O-N 3.49Å; K225-A228 WeakPolarHBondContact O-CB 3.46Å; K225-A228 PolarHBondContact O-N 3.15Å; K225-A228 VanDerWaalsContact O-N 3.12Å; K225-E229 WeakPolarHBondContact CE-OE1 3.39Å; K225-E229 HydrophobicContact CG-CG 4.49Å; K225-E229 IonicContact NZ-OE1 2.82Å; K225-E229 WeakPolarHBondContact O-CG 3.34Å; K225-E229 PolarHBondContact O-N 3.12Å
226T97.4Very high97.1Very high68 Ų68105.5 Ų105.542%0.41751%0.506SS..Hα-helixtrans-61.1-38.6-179.5-57.40000112.2R222 F223 E229 L230R222-T226 PolarHBondContact O-N 3.39Å; R222-T226 PolarHBondContact O-OG1 3.34Å; F223-T226 PolarHBondContact O-N 3.21Å; T226-E229 PolarHBondContact O-N 2.97Å; T226-L230 HydrophobicContact CG2-CD1 4.04Å; T226-L230 HydrophobicContact CG2-CG 4.5Å; T226-L230 WeakPolarHBondContact O-CB 2.79Å; T226-L230 WeakPolarHBondContact O-CG 3.41Å; T226-L230 PolarHBondContact O-N 3.09Å
227V97.4Very high97.2Very high73 Ų73105.4 Ų105.444%0.44250%0.503SS..Hα-helixtrans-67.4-38.1176.2170.50000111.6F223 K225 R231F223-V227 WeakPolarHBondContact O-CB 3.26Å; F223-V227 VanDerWaalsContact O-CG2 3.26Å; F223-V227 WeakPolarHBondContact O-CG2 3.44Å; F223-V227 PolarHBondContact O-N 2.98Å; K225-V227 VanDerWaalsContact C-N 3.3Å; K225-V227 PolarHBondContact O-N 3.49Å; V227-R231 WeakPolarHBondContact O-CB 3.44Å; V227-R231 VanDerWaalsContact O-CG 3.23Å; V227-R231 WeakPolarHBondContact O-CG 3.48Å; V227-R231 PolarHBondContact O-N 2.95Å; V227-R231 VanDerWaalsContact O-N 3.08Å
228A97.1Very high97.2Very high55 Ų55106.2 Ų106.246%0.45550%0.504SS..Hα-helixtrans-65.5-45.7175.400000111.7S224 K225 R231 E232S224-A228 WeakPolarHBondContact O-CB 3.49Å; S224-A228 PolarHBondContact O-N 2.95Å; S224-A228 VanDerWaalsContact O-N 3.09Å; K225-A228 WeakPolarHBondContact O-CB 3.46Å; K225-A228 PolarHBondContact O-N 3.15Å; K225-A228 VanDerWaalsContact O-N 3.12Å; A228-R231 PolarHBondContact O-N 3.48Å; A228-E232 PolarHBondContact O-N 2.92Å
229E97.2Very high97.2Very high86 Ų86106.3 Ų106.340%0.40250%0.502SS..Hα-helixtrans-60.5-48.6177.1-70.9170162.500111.5K225 T226 R231 E232 E233K225-E229 WeakPolarHBondContact CE-OE1 3.39Å; K225-E229 HydrophobicContact CG-CG 4.49Å; K225-E229 IonicContact NZ-OE1 2.82Å; K225-E229 WeakPolarHBondContact O-CG 3.34Å; K225-E229 PolarHBondContact O-N 3.12Å; T226-E229 PolarHBondContact O-N 2.97Å; E229-R231 VanDerWaalsContact C-N 3.31Å; E229-R231 PolarHBondContact O-N 3.08Å; E229-E232 PolarHBondContact O-N 3.3Å; E229-E233 WeakPolarHBondContact O-CG 3.48Å; E229-E233 PolarHBondContact O-N 3.18Å
230L97.1Very high97.3Very high100 Ų100109.1 Ų109.152%0.52451%0.511SS..Hα-helixtrans-61.4-37.3177.4-77.4170.3000112.9T226 H234T226-L230 HydrophobicContact CG2-CD1 4.04Å; T226-L230 HydrophobicContact CG2-CG 4.5Å; T226-L230 WeakPolarHBondContact O-CB 2.79Å; T226-L230 WeakPolarHBondContact O-CG 3.41Å; T226-L230 PolarHBondContact O-N 3.09Å; L230-H234 VanDerWaalsContact O-CB 3.24Å; L230-H234 WeakPolarHBondContact O-CB 3.23Å; L230-H234 PolarHBondContact O-N 2.97Å
231R97.5Very high97.2Very high184 Ų184105 Ų10569%0.69450%0.503SS*.Hα-helixtrans-67.5-40.9176-77.6173.6179.4-114.11.2111.7V227 A228 E229 H234 E235V227-R231 WeakPolarHBondContact O-CB 3.44Å; V227-R231 VanDerWaalsContact O-CG 3.23Å; V227-R231 WeakPolarHBondContact O-CG 3.48Å; V227-R231 PolarHBondContact O-N 2.95Å; V227-R231 VanDerWaalsContact O-N 3.08Å; A228-R231 PolarHBondContact O-N 3.48Å; E229-R231 VanDerWaalsContact C-N 3.31Å; E229-R231 PolarHBondContact O-N 3.08Å; R231-H234 PolarHBondContact O-N 3Å; R231-E235 WeakPolarHBondContact O-CB 3.24Å; R231-E235 PolarHBondContact O-N 2.91Å
232E97.5Very high97.2Very high111 Ų111103.6 Ų103.652%0.51950%0.498SS..Hα-helixtrans-64.9-44.7176.7-171.2-172.6160.200111.4A228 E229 E235 K236A228-E232 PolarHBondContact O-N 2.92Å; E229-E232 PolarHBondContact O-N 3.3Å; E232-E235 PolarHBondContact O-N 3.33Å; E232-K236 HydrophobicContact CG-CD 4.41Å; E232-K236 WeakPolarHBondContact O-CB 3.33Å; E232-K236 VanDerWaalsContact O-CG 3.32Å; E232-K236 WeakPolarHBondContact O-CG 3.28Å; E232-K236 PolarHBondContact O-N 3.24Å; E232-K236 WeakPolarHBondContact OE1-CE 3.47Å; E232-K236 IonicContact OE1-NZ 3.83Å; E232-K236 PolarHBondContact OE1-NZ 2.92Å
233E97.4Very high97.2Very high126 Ų126101.7 Ų101.759%0.58950%0.499SS*.Hα-helixtrans-60.9-46175-74-178168.600111.9E229 E235 K236 E237E229-E233 WeakPolarHBondContact O-CG 3.48Å; E229-E233 PolarHBondContact O-N 3.18Å; E233-E235 PolarHBondContact O-N 3.35Å; E233-K236 PolarHBondContact O-N 3.4Å; E233-E237 PolarHBondContact O-N 3.48Å
234H97.3Very high97.2Very high127 Ų12799 Ų9959%0.58849%0.493SS*.Hα-helixtrans-60.4-44.3177.3178-87.6000112.2L230 R231 E237 K238L230-H234 VanDerWaalsContact O-CB 3.24Å; L230-H234 WeakPolarHBondContact O-CB 3.23Å; L230-H234 PolarHBondContact O-N 2.97Å; R231-H234 PolarHBondContact O-N 3Å; H234-E237 PolarHBondContact O-N 3.32Å; H234-K238 VanDerWaalsContact O-CB 3.28Å; H234-K238 WeakPolarHBondContact O-CB 3.46Å; H234-K238 PolarHBondContact O-N 3.22Å
235E97Very high97.2Very high90 Ų9098.3 Ų98.342%0.42149%0.485SS..Hα-helixtrans-68.4-37.8179.1-164.260.9-154.900112R231 E232 E233 E237 K238 T239R231-E235 WeakPolarHBondContact O-CB 3.24Å; R231-E235 PolarHBondContact O-N 2.91Å; E232-E235 PolarHBondContact O-N 3.33Å; E233-E235 PolarHBondContact O-N 3.35Å; E235-E237 VanDerWaalsContact C-N 3.34Å; E235-E237 PolarHBondContact O-N 3.33Å; E235-K238 IonicContact OE1-NZ 3.03Å; E235-T239 WeakPolarHBondContact O-CB 3.45Å; E235-T239 VanDerWaalsContact O-CG2 3.29Å; E235-T239 WeakPolarHBondContact O-CG2 3.49Å; E235-T239 PolarHBondContact O-N 2.85Å; E235-T239 PolarHBondContact O-OG1 3.49Å
236K97.4Very high97.1Very high107 Ų10794.7 Ų94.747%0.46548%0.481SS..Hα-helixtrans-60.8-42.4171.9-76.1174.4-177168.90111.9E232 E233 T239 K240E232-K236 HydrophobicContact CG-CD 4.41Å; E232-K236 WeakPolarHBondContact O-CB 3.33Å; E232-K236 VanDerWaalsContact O-CG 3.32Å; E232-K236 WeakPolarHBondContact O-CG 3.28Å; E232-K236 PolarHBondContact O-N 3.24Å; E232-K236 WeakPolarHBondContact OE1-CE 3.47Å; E232-K236 IonicContact OE1-NZ 3.83Å; E232-K236 PolarHBondContact OE1-NZ 2.92Å; E233-K236 PolarHBondContact O-N 3.4Å; K236-T239 WeakPolarHBondContact CA-OG1 3.45Å; K236-T239 PolarHBondContact O-OG1 3.47Å; K236-K240 VanDerWaalsContact O-CG 3.25Å; K236-K240 WeakPolarHBondContact O-CG 2.99Å; K236-K240 PolarHBondContact O-N 2.91Å; K236-K240 VanDerWaalsContact O-N 3.12Å
237E97.2Very high97.1Very high93 Ų9396.4 Ų96.444%0.43548%0.482SS..Hα-helixtrans-73-40.2-179.2-16461.1-166.100111.9E233 H234 E235 T239 K240 L241E233-E237 PolarHBondContact O-N 3.48Å; H234-E237 PolarHBondContact O-N 3.32Å; E235-E237 VanDerWaalsContact C-N 3.34Å; E235-E237 PolarHBondContact O-N 3.33Å; E237-T239 PolarHBondContact O-N 3.47Å; E237-K240 PolarHBondContact O-N 2.62Å; E237-K240 IonicContact OE2-NZ 3.76Å; E237-K240 PolarHBondContact OE2-NZ 2.85Å; E237-L241 HydrophobicContact CG-CD1 4.41Å; E237-L241 WeakPolarHBondContact O-CB 3.49Å; E237-L241 WeakPolarHBondContact O-CG 3.45Å; E237-L241 PolarHBondContact O-N 2.97Å
238K97.6Very high97.1Very high85 Ų8598.2 Ų98.237%0.3749%0.488SS..Hα-helixtrans-57.7-50173.7-179.9-175164.8-157.30111.5H234 E235 K240 L241 E242H234-K238 VanDerWaalsContact O-CB 3.28Å; H234-K238 WeakPolarHBondContact O-CB 3.46Å; H234-K238 PolarHBondContact O-N 3.22Å; E235-K238 IonicContact OE1-NZ 3.03Å; K238-K240 PolarHBondContact O-N 3.45Å; K238-L241 PolarHBondContact O-N 2.88Å; K238-E242 WeakPolarHBondContact CE-OE1 3.33Å; K238-E242 HydrophobicContact CG-CG 4.45Å; K238-E242 IonicContact NZ-OE1 2.69Å; K238-E242 WeakPolarHBondContact O-CB 3.29Å; K238-E242 WeakPolarHBondContact O-CG 3.16Å; K238-E242 PolarHBondContact O-N 2.97Å
239T96.7Very high97.1Very high55 Ų55102.5 Ų102.534%0.33750%0.496SS..Hα-helixtrans-63.7-38.6179.250.60000112.4E235 K236 E237 N243E235-T239 WeakPolarHBondContact O-CB 3.45Å; E235-T239 VanDerWaalsContact O-CG2 3.29Å; E235-T239 WeakPolarHBondContact O-CG2 3.49Å; E235-T239 PolarHBondContact O-N 2.85Å; E235-T239 PolarHBondContact O-OG1 3.49Å; K236-T239 WeakPolarHBondContact CA-OG1 3.45Å; K236-T239 PolarHBondContact O-OG1 3.47Å; E237-T239 PolarHBondContact O-N 3.47Å; T239-N243 WeakPolarHBondContact O-CB 3.32Å; T239-N243 PolarHBondContact O-N 2.93Å; T239-N243 PolarHBondContact O-ND2 2.76Å
240K97Very high97.1Very high121 Ų121104.4 Ų104.453%0.52651%0.506SS..Hα-helixtrans-60.3-49.4171.3-73.2172.6-165.2167.70111.7K236 E237 K238 N243 T244K236-K240 VanDerWaalsContact O-CG 3.25Å; K236-K240 WeakPolarHBondContact O-CG 2.99Å; K236-K240 PolarHBondContact O-N 2.91Å; K236-K240 VanDerWaalsContact O-N 3.12Å; E237-K240 PolarHBondContact O-N 2.62Å; E237-K240 IonicContact OE2-NZ 3.76Å; E237-K240 PolarHBondContact OE2-NZ 2.85Å; K238-K240 PolarHBondContact O-N 3.45Å; K240-N243 PolarHBondContact O-N 3.12Å; K240-T244 WeakPolarHBondContact O-CG2 3.35Å; K240-T244 PolarHBondContact O-N 3.43Å; K240-T244 PolarHBondContact O-OG1 3.04Å
241L96.8Very high97.1Very high98 Ų98103.2 Ų103.251%0.51350%0.499SS..Hα-helixtrans-61.3-46179.8-76.8171.1000111.3E237 K238 N243 T244 V245E237-L241 HydrophobicContact CG-CD1 4.41Å; E237-L241 WeakPolarHBondContact O-CB 3.49Å; E237-L241 WeakPolarHBondContact O-CG 3.45Å; E237-L241 PolarHBondContact O-N 2.97Å; K238-L241 PolarHBondContact O-N 2.88Å; L241-N243 VanDerWaalsContact C-N 3.32Å; L241-N243 PolarHBondContact O-N 2.9Å; L241-T244 WeakPolarHBondContact CA-OG1 3.4Å; L241-T244 PolarHBondContact O-N 3.19Å; L241-T244 PolarHBondContact O-OG1 2.95Å; L241-V245 WeakPolarHBondContact O-CB 3.3Å; L241-V245 WeakPolarHBondContact O-CG2 3.44Å; L241-V245 PolarHBondContact O-N 3.38Å
242E97.2Very high97.1Very high100 Ų10099.8 Ų99.847%0.46749%0.494SS..Hα-helixtrans-57.2-44.2175.7-74.5173.5167.600111.9K238 V245 A246K238-E242 WeakPolarHBondContact CE-OE1 3.33Å; K238-E242 HydrophobicContact CG-CG 4.45Å; K238-E242 IonicContact NZ-OE1 2.69Å; K238-E242 WeakPolarHBondContact O-CB 3.29Å; K238-E242 WeakPolarHBondContact O-CG 3.16Å; K238-E242 PolarHBondContact O-N 2.97Å; E242-V245 PolarHBondContact O-N 3.26Å; E242-A246 WeakPolarHBondContact O-CB 3.25Å; E242-A246 PolarHBondContact O-N 3.01Å
243N96.8Very high97.1Very high114 Ų11499.7 Ų99.761%0.6149%0.494SS*.Hα-helixtrans-64.1-42.8176-72.5-31.8000112.5T239 K240 L241 A246 K247T239-N243 WeakPolarHBondContact O-CB 3.32Å; T239-N243 PolarHBondContact O-N 2.93Å; T239-N243 PolarHBondContact O-ND2 2.76Å; K240-N243 PolarHBondContact O-N 3.12Å; L241-N243 VanDerWaalsContact C-N 3.32Å; L241-N243 PolarHBondContact O-N 2.9Å; N243-A246 PolarHBondContact O-N 3.43Å; N243-K247 WeakPolarHBondContact O-CB 3.5Å; N243-K247 PolarHBondContact O-N 3.48Å
244T96.5Very high97Very high69 Ų6996.3 Ų96.342%0.42349%0.488SS..Hα-helixtrans-65-41.5177.360.40000112K240 L241 K247 I248K240-T244 WeakPolarHBondContact O-CG2 3.35Å; K240-T244 PolarHBondContact O-N 3.43Å; K240-T244 PolarHBondContact O-OG1 3.04Å; L241-T244 WeakPolarHBondContact CA-OG1 3.4Å; L241-T244 PolarHBondContact O-N 3.19Å; L241-T244 PolarHBondContact O-OG1 2.95Å; T244-K247 PolarHBondContact O-N 2.93Å; T244-I248 VanDerWaalsContact O-CG1 3.3Å; T244-I248 WeakPolarHBondContact O-CG1 3.34Å; T244-I248 PolarHBondContact O-N 2.97Å
245V97Very high97Very high70 Ų7096.3 Ų96.342%0.42449%0.488SS..Hα-helixtrans-65.4-42.4176.9170.30000110.7L241 E242 K247 I248 K249L241-V245 WeakPolarHBondContact O-CB 3.3Å; L241-V245 WeakPolarHBondContact O-CG2 3.44Å; L241-V245 PolarHBondContact O-N 3.38Å; E242-V245 PolarHBondContact O-N 3.26Å; V245-K247 VanDerWaalsContact C-N 3.32Å; V245-K247 PolarHBondContact O-N 2.99Å; V245-I248 PolarHBondContact O-N 3.36Å; V245-K249 HydrophobicContact CG1-CD 4.2Å; V245-K249 WeakPolarHBondContact O-CB 3.36Å; V245-K249 VanDerWaalsContact O-CG 3.31Å; V245-K249 WeakPolarHBondContact O-CG 3.31Å; V245-K249 PolarHBondContact O-N 3.41Å
246A96.9Very high97Very high57 Ų5795 Ų9547%0.47149%0.489SS..Hα-helixtrans-60.9-42.6175.400000111.5E242 N243 K249 Q250E242-A246 WeakPolarHBondContact O-CB 3.25Å; E242-A246 PolarHBondContact O-N 3.01Å; N243-A246 PolarHBondContact O-N 3.43Å; A246-K249 PolarHBondContact O-N 3.01Å; A246-Q250 PolarHBondContact O-N 3.48Å
247K96.9Very high96.9Very high103 Ų10393.5 Ų93.545%0.44849%0.486SS..Hα-helixtrans-64.1-48.7177.5-177.552.8176.3157.50112.3N243 T244 V245 K249 Q250 D251N243-K247 WeakPolarHBondContact O-CB 3.5Å; N243-K247 PolarHBondContact O-N 3.48Å; T244-K247 PolarHBondContact O-N 2.93Å; V245-K247 VanDerWaalsContact C-N 3.32Å; V245-K247 PolarHBondContact O-N 2.99Å; K247-K249 VanDerWaalsContact C-N 3.3Å; K247-K249 PolarHBondContact O-N 2.96Å; K247-Q250 WeakPolarHBondContact O-CB 3.45Å; K247-Q250 PolarHBondContact O-N 3.3Å; K247-Q250 VanDerWaalsContact O-N 3.15Å; K247-D251 WeakPolarHBondContact CE-OD1 3.39Å; K247-D251 WeakPolarHBondContact CE-OD2 3.37Å; K247-D251 IonicContact NZ-OD1 2.97Å; K247-D251 PolarHBondContact NZ-OD1 3.35Å; K247-D251 IonicContact NZ-OD2 3.53Å; K247-D251 PolarHBondContact NZ-OD2 3.05Å; K247-D251 PolarHBondContact O-N 3.4Å
248I97.2Very high96.9Very high112 Ų11295.2 Ų95.257%0.57449%0.494SS*.Hα-helixtrans-59.2-42177.3-68.8166.2000111T244 V245 D251 L252T244-I248 VanDerWaalsContact O-CG1 3.3Å; T244-I248 WeakPolarHBondContact O-CG1 3.34Å; T244-I248 PolarHBondContact O-N 2.97Å; V245-I248 PolarHBondContact O-N 3.36Å; I248-D251 PolarHBondContact O-N 2.94Å; I248-L252 WeakPolarHBondContact O-CB 3.48Å; I248-L252 PolarHBondContact O-N 2.97Å
249K97.1Very high96.8Very high144 Ų14496.3 Ų96.363%0.62650%0.503SS*.Hα-helixtrans-62.9-41.7176.4-76.3179.1178.8-177.40112.5V245 A246 K247 Q253V245-K249 HydrophobicContact CG1-CD 4.2Å; V245-K249 WeakPolarHBondContact O-CB 3.36Å; V245-K249 VanDerWaalsContact O-CG 3.31Å; V245-K249 WeakPolarHBondContact O-CG 3.31Å; V245-K249 PolarHBondContact O-N 3.41Å; A246-K249 PolarHBondContact O-N 3.01Å; K247-K249 VanDerWaalsContact C-N 3.3Å; K247-K249 PolarHBondContact O-N 2.96Å; K249-Q253 WeakPolarHBondContact O-CB 3.5Å; K249-Q253 PolarHBondContact O-N 3.03Å
250Q97.2Very high96.8Very high127 Ų12799.7 Ų99.759%0.59352%0.515SS*.Hα-helixtrans-63.8-45.3176.9-176.3-176.829.200111.4A246 K247 Q253 A254A246-Q250 PolarHBondContact O-N 3.48Å; K247-Q250 WeakPolarHBondContact O-CB 3.45Å; K247-Q250 PolarHBondContact O-N 3.3Å; K247-Q250 VanDerWaalsContact O-N 3.15Å; Q250-Q253 PolarHBondContact O-N 3.28Å; Q250-A254 WeakPolarHBondContact O-CB 3.19Å; Q250-A254 PolarHBondContact O-N 2.95Å
251D97.8Very high96.7Very high74 Ų7497.5 Ų97.540%0.39651%0.512SS..Hα-helixtrans-66.8-43-178.3-66.4-19.4000111.2K247 I248 Q253 A254 E255K247-D251 WeakPolarHBondContact CE-OD1 3.39Å; K247-D251 WeakPolarHBondContact CE-OD2 3.37Å; K247-D251 IonicContact NZ-OD1 2.97Å; K247-D251 PolarHBondContact NZ-OD1 3.35Å; K247-D251 IonicContact NZ-OD2 3.53Å; K247-D251 PolarHBondContact NZ-OD2 3.05Å; K247-D251 PolarHBondContact O-N 3.4Å; I248-D251 PolarHBondContact O-N 2.94Å; D251-Q253 VanDerWaalsContact C-N 3.33Å; D251-Q253 PolarHBondContact O-N 3.47Å; D251-A254 PolarHBondContact O-N 3.15Å; D251-E255 WeakPolarHBondContact O-CB 3.39Å; D251-E255 PolarHBondContact O-N 2.92Å
252L96.2Very high96.7Very high112 Ų11295.4 Ų95.459%0.58651%0.506SS*.Hα-helixtrans-62.6-39.2175.3-17567.2000112.2I248 S256I248-L252 WeakPolarHBondContact O-CB 3.48Å; I248-L252 PolarHBondContact O-N 2.97Å; L252-S256 WeakPolarHBondContact O-CB 3.36Å; L252-S256 PolarHBondContact O-N 3.13Å
253Q97Very high96.7Very high109 Ų10996.7 Ų96.751%0.50951%0.513SS..Hα-helixtrans-64.5-45.8175.6-177.661.23900111K249 Q250 D251 E255 S256 D257K249-Q253 WeakPolarHBondContact O-CB 3.5Å; K249-Q253 PolarHBondContact O-N 3.03Å; Q250-Q253 PolarHBondContact O-N 3.28Å; D251-Q253 VanDerWaalsContact C-N 3.33Å; D251-Q253 PolarHBondContact O-N 3.47Å; Q253-E255 VanDerWaalsContact C-N 3.34Å; Q253-E255 PolarHBondContact O-N 3.26Å; Q253-S256 PolarHBondContact O-N 2.97Å; Q253-D257 PolarHBondContact NE2-OD1 3.34Å; Q253-D257 PolarHBondContact NE2-OD2 2.85Å; Q253-D257 VanDerWaalsContact NE2-OD2 3.13Å; Q253-D257 VanDerWaalsContact O-CG 3.27Å; Q253-D257 PolarHBondContact O-N 2.93Å
254A96.6Very high96.6Very high56 Ų5694.3 Ų94.346%0.46351%0.506SS..Hα-helixtrans-62.1-40.7177.900000112.2Q250 D251 D257 Q258Q250-A254 WeakPolarHBondContact O-CB 3.19Å; Q250-A254 PolarHBondContact O-N 2.95Å; D251-A254 PolarHBondContact O-N 3.15Å; A254-D257 PolarHBondContact O-N 2.93Å; A254-Q258 WeakPolarHBondContact O-CB 3.41Å; A254-Q258 PolarHBondContact O-N 3.45Å
255E97.4Very high96.6Very high126 Ų12697.5 Ų97.559%0.58952%0.516SS*.Hα-helixtrans-65.5-42.3175.6-173178-176.200111.8D251 Q253 Q258 L259D251-E255 WeakPolarHBondContact O-CB 3.39Å; D251-E255 PolarHBondContact O-N 2.92Å; Q253-E255 VanDerWaalsContact C-N 3.34Å; Q253-E255 PolarHBondContact O-N 3.26Å; E255-Q258 PolarHBondContact O-N 3.43Å; E255-L259 WeakPolarHBondContact O-CB 3.31Å; E255-L259 PolarHBondContact O-N 2.69Å
256S95.8Very high96.6Very high62 Ų62100 Ų10043%0.43453%0.526SS..Hα-helixtrans-60.8-45.4175.1-176.90000111.7L252 Q253 L259 Q260L252-S256 WeakPolarHBondContact O-CB 3.36Å; L252-S256 PolarHBondContact O-N 3.13Å; Q253-S256 PolarHBondContact O-N 2.97Å; S256-L259 PolarHBondContact O-N 2.76Å; S256-Q260 WeakPolarHBondContact O-CB 3.41Å; S256-Q260 PolarHBondContact O-N 3.46Å
257D96.3Very high96.5Very high76 Ų76103.8 Ų103.841%0.40653%0.532SS..Hα-helixtrans-64.9-41.2178.2-67.6-25.9000110.9Q253 A254 Q260 T261Q253-D257 PolarHBondContact NE2-OD1 3.34Å; Q253-D257 PolarHBondContact NE2-OD2 2.85Å; Q253-D257 VanDerWaalsContact NE2-OD2 3.13Å; Q253-D257 VanDerWaalsContact O-CG 3.27Å; Q253-D257 PolarHBondContact O-N 2.93Å; A254-D257 PolarHBondContact O-N 2.93Å; D257-Q260 PolarHBondContact O-N 3.36Å; D257-T261 WeakPolarHBondContact O-CG2 3.49Å; D257-T261 PolarHBondContact O-N 3.06Å; D257-T261 PolarHBondContact O-OG1 2.98Å
258Q96.5Very high96.5Very high130 Ų130103.7 Ų103.761%0.60754%0.54SS*.Hα-helixtrans-64.8-39.3175.4-176.7-179.12.400112.8A254 E255 Q260 T261 S262A254-Q258 WeakPolarHBondContact O-CB 3.41Å; A254-Q258 PolarHBondContact O-N 3.45Å; E255-Q258 PolarHBondContact O-N 3.43Å; Q258-Q260 VanDerWaalsContact C-N 3.34Å; Q258-T261 WeakPolarHBondContact CA-OG1 3.48Å; Q258-T261 PolarHBondContact O-OG1 3.36Å; Q258-S262 WeakPolarHBondContact O-CB 3.45Å; Q258-S262 PolarHBondContact O-N 2.84Å; Q258-S262 PolarHBondContact O-OG 3.36Å
259L96.2Very high96.4Very high108 Ų108100.8 Ų100.857%0.56553%0.532SS*.Hα-helixtrans-67.6-39.8176.9-172.763.6000110.5E255 S256 S262 M263E255-L259 WeakPolarHBondContact O-CB 3.31Å; E255-L259 PolarHBondContact O-N 2.69Å; S256-L259 PolarHBondContact O-N 2.76Å; L259-S262 PolarHBondContact O-N 3.39Å; L259-M263 WeakPolarHBondContact O-CB 3.35Å; L259-M263 VanDerWaalsContact O-CG 3.31Å; L259-M263 WeakPolarHBondContact O-CG 3.34Å; L259-M263 PolarHBondContact O-N 2.87Å
260Q96.9Very high96.4Very high126 Ų126100.2 Ų100.259%0.58953%0.532SS*.Hα-helixtrans-65.1-40.7177.1-176.7174-3600112.5S256 D257 Q258 S264S256-Q260 WeakPolarHBondContact O-CB 3.41Å; S256-Q260 PolarHBondContact O-N 3.46Å; D257-Q260 PolarHBondContact O-N 3.36Å; Q258-Q260 VanDerWaalsContact C-N 3.34Å; Q260-S264 WeakPolarHBondContact O-CB 3.32Å; Q260-S264 PolarHBondContact O-N 2.9Å; Q260-S264 VanDerWaalsContact O-N 3.09Å; Q260-S264 PolarHBondContact O-OG 3.09Å
261T95.3Very high96.4Very high74 Ų7499.5 Ų99.545%0.45453%0.531SS..Hα-helixtrans-64.4-47.8173.754.60000110.8D257 Q258 M263 S264 E265D257-T261 WeakPolarHBondContact O-CG2 3.49Å; D257-T261 PolarHBondContact O-N 3.06Å; D257-T261 PolarHBondContact O-OG1 2.98Å; Q258-T261 WeakPolarHBondContact CA-OG1 3.48Å; Q258-T261 PolarHBondContact O-OG1 3.36Å; T261-M263 VanDerWaalsContact C-N 3.34Å; T261-M263 PolarHBondContact O-N 2.98Å; T261-S264 WeakPolarHBondContact O-CB 3.36Å; T261-S264 PolarHBondContact O-N 3.45Å; T261-E265 WeakPolarHBondContact O-CG 3.46Å; T261-E265 PolarHBondContact O-N 3.22Å
262S96.4Very high96.3Very high55 Ų55102.6 Ų102.639%0.38554%0.541SS..Hα-helixtrans-59.6-41.5178.7-57.10000112.4Q258 L259 S264 E265 L266Q258-S262 WeakPolarHBondContact O-CB 3.45Å; Q258-S262 PolarHBondContact O-N 2.84Å; Q258-S262 PolarHBondContact O-OG 3.36Å; L259-S262 PolarHBondContact O-N 3.39Å; S262-S264 VanDerWaalsContact C-N 3.35Å; S262-E265 PolarHBondContact O-N 3.01Å; S262-L266 WeakPolarHBondContact O-CB 3.37Å; S262-L266 PolarHBondContact O-N 2.84Å
263M96.2Very high96.3Very high126 Ų126100.8 Ų100.862%0.62154%0.537SS*.Hα-helixtrans-64.2-38.9175-77.9-174.368.500112.4L259 T261 K267L259-M263 WeakPolarHBondContact O-CB 3.35Å; L259-M263 VanDerWaalsContact O-CG 3.31Å; L259-M263 WeakPolarHBondContact O-CG 3.34Å; L259-M263 PolarHBondContact O-N 2.87Å; T261-M263 VanDerWaalsContact C-N 3.34Å; T261-M263 PolarHBondContact O-N 2.98Å; M263-K267 WeakPolarHBondContact O-CB 3.43Å; M263-K267 PolarHBondContact O-N 3.34Å
264S95.5Very high96.3Very high65 Ų6598.4 Ų98.446%0.45554%0.536SS..Hα-helixtrans-67.2-43.5178-59.10000111.1Q260 T261 S262 K267 V268Q260-S264 WeakPolarHBondContact O-CB 3.32Å; Q260-S264 PolarHBondContact O-N 2.9Å; Q260-S264 VanDerWaalsContact O-N 3.09Å; Q260-S264 PolarHBondContact O-OG 3.09Å; T261-S264 WeakPolarHBondContact O-CB 3.36Å; T261-S264 PolarHBondContact O-N 3.45Å; S262-S264 VanDerWaalsContact C-N 3.35Å; S264-K267 PolarHBondContact O-N 3.38Å; S264-V268 WeakPolarHBondContact O-CG2 3.33Å; S264-V268 PolarHBondContact O-N 2.88Å
265E96.2Very high96.3Very high136 Ų13699.2 Ų99.264%0.63654%0.538SS*.Hα-helixtrans-62-46.2174.3-71.1176.1-173.600112T261 S262 K267 V268 A269T261-E265 WeakPolarHBondContact O-CG 3.46Å; T261-E265 PolarHBondContact O-N 3.22Å; S262-E265 PolarHBondContact O-N 3.01Å; E265-K267 VanDerWaalsContact C-N 3.3Å; E265-K267 PolarHBondContact O-N 3.34Å; E265-V268 PolarHBondContact O-N 2.91Å; E265-A269 WeakPolarHBondContact O-CB 3.34Å; E265-A269 PolarHBondContact O-N 3.02Å
266L96.3Very high96.3Very high122 Ų12296.6 Ų96.664%0.63953%0.527SS*.Hα-helixtrans-59.6-41.5176.5-168.9104000111.3S262 A269 Q270S262-L266 WeakPolarHBondContact O-CB 3.37Å; S262-L266 PolarHBondContact O-N 2.84Å; L266-A269 PolarHBondContact O-N 3.38Å; L266-Q270 WeakPolarHBondContact O-CB 3.43Å; L266-Q270 PolarHBondContact O-N 3.02Å
267K96.4Very high96.4Very high137 Ų13798.4 Ų98.460%0.59653%0.532SS*.Hα-helixtrans-65.1-41.6177.6-170.2174.1-176178.90112M263 S264 E265 Q270 I271M263-K267 WeakPolarHBondContact O-CB 3.43Å; M263-K267 PolarHBondContact O-N 3.34Å; S264-K267 PolarHBondContact O-N 3.38Å; E265-K267 VanDerWaalsContact C-N 3.3Å; E265-K267 PolarHBondContact O-N 3.34Å; K267-Q270 PolarHBondContact O-N 2.83Å; K267-I271 HydrophobicContact CG-CD1 4.37Å; K267-I271 WeakPolarHBondContact O-CG1 3.49Å; K267-I271 PolarHBondContact O-N 3.35Å
268V96.3Very high96.4Very high101 Ų10197.5 Ų97.561%0.61253%0.532SS*.Hα-helixtrans-63.1-45.6174.4171.20000110.7S264 E265 Q270 I271 K272S264-V268 WeakPolarHBondContact O-CG2 3.33Å; S264-V268 PolarHBondContact O-N 2.88Å; E265-V268 PolarHBondContact O-N 2.91Å; V268-Q270 VanDerWaalsContact C-N 3.33Å; V268-Q270 PolarHBondContact O-N 2.91Å; V268-I271 PolarHBondContact O-N 3.47Å; V268-K272 WeakPolarHBondContact O-CB 3.44Å; V268-K272 PolarHBondContact O-N 2.98Å
269A95.3Very high96.4Very high50 Ų5096.7 Ų96.741%0.41353%0.528SS..Hα-helixtrans-61-41.6176.400000111.8E265 L266 K272 C273E265-A269 WeakPolarHBondContact O-CB 3.34Å; E265-A269 PolarHBondContact O-N 3.02Å; L266-A269 PolarHBondContact O-N 3.38Å; A269-K272 PolarHBondContact O-N 2.93Å; A269-C273 WeakPolarHBondContact O-CB 3.46Å; A269-C273 PolarHBondContact O-N 3.36Å; A269-C273 PolarHBondContact O-SG 2.83Å; A269-C273 VanDerWaalsContact O-SG 3.4Å
270Q96.7Very high96.4Very high133 Ų13394.9 Ų94.962%0.62152%0.519SS*.Hα-helixtrans-62.8-45.2177.3-174.6179.4600112.2L266 K267 V268 K272 C273 A274L266-Q270 WeakPolarHBondContact O-CB 3.43Å; L266-Q270 PolarHBondContact O-N 3.02Å; K267-Q270 PolarHBondContact O-N 2.83Å; V268-Q270 VanDerWaalsContact C-N 3.33Å; V268-Q270 PolarHBondContact O-N 2.91Å; Q270-K272 VanDerWaalsContact C-N 3.31Å; Q270-K272 PolarHBondContact O-N 3.37Å; Q270-C273 PolarHBondContact O-N 3.48Å; Q270-A274 WeakPolarHBondContact O-CB 3.35Å; Q270-A274 PolarHBondContact O-N 3.41Å
271I96.7Very high96.4Very high112 Ų11293.8 Ų93.857%0.57452%0.517SS*.Hα-helixtrans-61.1-43.4175.5-68.4166.4000110.1K267 V268 A274 S275K267-I271 HydrophobicContact CG-CD1 4.37Å; K267-I271 WeakPolarHBondContact O-CG1 3.49Å; K267-I271 PolarHBondContact O-N 3.35Å; V268-I271 PolarHBondContact O-N 3.47Å; I271-A274 PolarHBondContact O-N 3.44Å; I271-S275 WeakPolarHBondContact O-CB 3.4Å; I271-S275 PolarHBondContact O-N 3.27Å
272K96.7Very high96.5Very high138 Ų13896.5 Ų96.560%0.652%0.522SS*.Hα-helixtrans-63-46.2177.5-172179.6-179.5-178.20112.1V268 A269 Q270 A274 S275 I276V268-K272 WeakPolarHBondContact O-CB 3.44Å; V268-K272 PolarHBondContact O-N 2.98Å; A269-K272 PolarHBondContact O-N 2.93Å; Q270-K272 VanDerWaalsContact C-N 3.31Å; Q270-K272 PolarHBondContact O-N 3.37Å; K272-A274 VanDerWaalsContact C-N 3.35Å; K272-A274 PolarHBondContact O-N 2.88Å; K272-S275 WeakPolarHBondContact O-CB 3.47Å; K272-S275 PolarHBondContact O-N 3.4Å; K272-I276 HydrophobicContact CG-CD1 3.95Å; K272-I276 WeakPolarHBondContact O-CG1 3.33Å; K272-I276 PolarHBondContact O-N 2.95Å
273C95.9Very high96.5Very high75 Ų7597.8 Ų97.851%0.50753%0.525SS..Hα-helixtrans-61.1-42175.7-75.20000111.9A269 Q270 I276 N277A269-C273 WeakPolarHBondContact O-CB 3.46Å; A269-C273 PolarHBondContact O-N 3.36Å; A269-C273 PolarHBondContact O-SG 2.83Å; A269-C273 VanDerWaalsContact O-SG 3.4Å; Q270-C273 PolarHBondContact O-N 3.48Å; C273-I276 PolarHBondContact O-N 3.38Å; C273-N277 WeakPolarHBondContact O-CB 3.48Å; C273-N277 VanDerWaalsContact O-CG 3.28Å; C273-N277 PolarHBondContact O-N 3.45Å
274A96.4Very high96.6Very high59 Ų5999.6 Ų99.649%0.48852%0.524SS..Hα-helixtrans-62.7-41.9175.600000112Q270 I271 K272 N277 S278Q270-A274 WeakPolarHBondContact O-CB 3.35Å; Q270-A274 PolarHBondContact O-N 3.41Å; I271-A274 PolarHBondContact O-N 3.44Å; K272-A274 VanDerWaalsContact C-N 3.35Å; K272-A274 PolarHBondContact O-N 2.88Å; A274-N277 PolarHBondContact O-N 3.4Å; A274-S278 PolarHBondContact O-N 3.27Å
275S97.1Very high96.7Very high72 Ų72100.9 Ų100.950%0.50352%0.523SS..Hα-helixtrans-61.7-50.3175.1-171.30000111.8I271 K272 N277 S278 E279I271-S275 WeakPolarHBondContact O-CB 3.4Å; I271-S275 PolarHBondContact O-N 3.27Å; K272-S275 WeakPolarHBondContact O-CB 3.47Å; K272-S275 PolarHBondContact O-N 3.4Å; S275-N277 VanDerWaalsContact C-N 3.3Å; S275-N277 PolarHBondContact O-N 3.42Å; S275-S278 PolarHBondContact O-N 3.03Å; S275-E279 PolarHBondContact O-N 3.18Å
276I97.2Very high96.7Very high72 Ų72100.1 Ų100.137%0.36952%0.52SS..Hα-helixtrans-61.5-39.2178.5-70.2170.3000110.8K272 C273 E279 N280K272-I276 HydrophobicContact CG-CD1 3.95Å; K272-I276 WeakPolarHBondContact O-CG1 3.33Å; K272-I276 PolarHBondContact O-N 2.95Å; C273-I276 PolarHBondContact O-N 3.38Å; I276-E279 PolarHBondContact O-N 2.98Å; I276-N280 VanDerWaalsContact CG2-ND2 3.3Å; I276-N280 WeakPolarHBondContact CG2-ND2 3.4Å; I276-N280 WeakPolarHBondContact O-CB 3.49Å; I276-N280 PolarHBondContact O-N 3.46Å; I276-N280 PolarHBondContact O-ND2 3.49Å
277N97.1Very high96.8Very high99 Ų9999 Ų9953%0.52951%0.513SS..Hα-helixtrans-66.2-40.7175.9-78.2-14.2000112C273 A274 S275 E279 N280 N281C273-N277 WeakPolarHBondContact O-CB 3.48Å; C273-N277 VanDerWaalsContact O-CG 3.28Å; C273-N277 PolarHBondContact O-N 3.45Å; A274-N277 PolarHBondContact O-N 3.4Å; S275-N277 VanDerWaalsContact C-N 3.3Å; S275-N277 PolarHBondContact O-N 3.42Å; N277-E279 VanDerWaalsContact C-N 3.32Å; N277-E279 PolarHBondContact O-N 2.95Å; N277-N280 PolarHBondContact O-N 2.9Å; N277-N281 WeakPolarHBondContact O-CB 3.3Å; N277-N281 VanDerWaalsContact O-CG 3.25Å; N277-N281 PolarHBondContact O-N 2.85Å; N277-N281 PolarHBondContact O-ND2 2.87Å
278S96.3Very high96.8Very high58 Ų5896.3 Ų96.341%0.40651%0.506SS..Hα-helixtrans-63.2-39.8174.9-179.50000112A274 S275 K282A274-S278 PolarHBondContact O-N 3.27Å; S275-S278 PolarHBondContact O-N 3.03Å; S278-K282 WeakPolarHBondContact O-CG 3.46Å; S278-K282 PolarHBondContact O-N 2.89Å; S278-K282 VanDerWaalsContact O-N 3.14Å
279E97Very high96.9Very high112 Ų11294.4 Ų94.452%0.52349%0.492SS..Hα-helixtrans-67.9-45.3176.9-174175.3-170.300111.5S275 I276 N277 N281 K282 L283S275-E279 PolarHBondContact O-N 3.18Å; I276-E279 PolarHBondContact O-N 2.98Å; N277-E279 VanDerWaalsContact C-N 3.32Å; N277-E279 PolarHBondContact O-N 2.95Å; E279-N281 VanDerWaalsContact C-N 3.28Å; E279-N281 PolarHBondContact O-N 3.14Å; E279-K282 WeakPolarHBondContact O-CB 3.48Å; E279-K282 PolarHBondContact O-N 3.39Å; E279-K282 VanDerWaalsContact O-N 3.11Å; E279-L283 HydrophobicContact CG-CD1 4.24Å; E279-L283 WeakPolarHBondContact O-CG 3.47Å; E279-L283 PolarHBondContact O-N 3.32Å
280N96.7Very high97Very high71 Ų7194.3 Ų94.338%0.3849%0.491SS..Hα-helixtrans-58.1-39.8174.3-85.9-72000112.3I276 N277 R284I276-N280 VanDerWaalsContact CG2-ND2 3.3Å; I276-N280 WeakPolarHBondContact CG2-ND2 3.4Å; I276-N280 WeakPolarHBondContact O-CB 3.49Å; I276-N280 PolarHBondContact O-N 3.46Å; I276-N280 PolarHBondContact O-ND2 3.49Å; N277-N280 PolarHBondContact O-N 2.9Å; N280-R284 WeakPolarHBondContact O-CB 3.23Å; N280-R284 VanDerWaalsContact O-CG 3.23Å; N280-R284 WeakPolarHBondContact O-CG 3.38Å; N280-R284 PolarHBondContact O-N 2.9Å
281N97.2Very high97Very high102 Ų10292.3 Ų92.355%0.54549%0.485SS..Hα-helixtrans-66.6-38.4176.7-72.4-17.2000112.2N277 E279 Q285N277-N281 WeakPolarHBondContact O-CB 3.3Å; N277-N281 VanDerWaalsContact O-CG 3.25Å; N277-N281 PolarHBondContact O-N 2.85Å; N277-N281 PolarHBondContact O-ND2 2.87Å; E279-N281 VanDerWaalsContact C-N 3.28Å; E279-N281 PolarHBondContact O-N 3.14Å; N281-Q285 WeakPolarHBondContact O-CB 3.38Å; N281-Q285 PolarHBondContact O-N 3.11Å
282K96.8Very high97Very high131 Ų13194.4 Ų94.457%0.5749%0.485SS*.Hα-helixtrans-64.7-48.3174.4-71.6174.3-178.1-177.70111.4S278 E279 R284 Q285 E286S278-K282 WeakPolarHBondContact O-CG 3.46Å; S278-K282 PolarHBondContact O-N 2.89Å; S278-K282 VanDerWaalsContact O-N 3.14Å; E279-K282 WeakPolarHBondContact O-CB 3.48Å; E279-K282 PolarHBondContact O-N 3.39Å; E279-K282 VanDerWaalsContact O-N 3.11Å; K282-R284 VanDerWaalsContact C-N 3.32Å; K282-R284 PolarHBondContact O-N 3.12Å; K282-Q285 WeakPolarHBondContact O-CB 3.44Å; K282-Q285 PolarHBondContact O-N 2.94Å; K282-Q285 VanDerWaalsContact O-N 3.13Å; K282-E286 WeakPolarHBondContact O-CG 3.31Å; K282-E286 PolarHBondContact O-N 2.87Å
283L97.1Very high97.1Very high82 Ų8294.7 Ų94.743%0.42949%0.489SS..Hα-helixtrans-61.9-38.8177.9-69.9173.3000112.1E279 E286 I287E279-L283 HydrophobicContact CG-CD1 4.24Å; E279-L283 WeakPolarHBondContact O-CG 3.47Å; E279-L283 PolarHBondContact O-N 3.32Å; L283-E286 PolarHBondContact O-N 3.46Å; L283-I287 WeakPolarHBondContact O-CB 3.43Å; L283-I287 VanDerWaalsContact O-CG1 3.24Å; L283-I287 WeakPolarHBondContact O-CG1 3.46Å; L283-I287 PolarHBondContact O-N 2.91Å
284R97.6Very high97.2Very high164 Ų16494.8 Ų94.862%0.61949%0.487SS*.Hα-helixtrans-62.5-43.4173.3-76.7175.3-179.5-161-0.1111.9N280 K282 I287 D288N280-R284 WeakPolarHBondContact O-CB 3.23Å; N280-R284 VanDerWaalsContact O-CG 3.23Å; N280-R284 WeakPolarHBondContact O-CG 3.38Å; N280-R284 PolarHBondContact O-N 2.9Å; K282-R284 VanDerWaalsContact C-N 3.32Å; K282-R284 PolarHBondContact O-N 3.12Å; R284-I287 PolarHBondContact O-N 3.13Å; R284-D288 PolarHBondContact O-N 3.34Å
285Q97Very high97.2Very high92 Ų9295.2 Ų95.243%0.4348%0.483SS..Hα-helixtrans-63-44.2176.3-176.358.249.200111.6N281 K282 I287 D288 D289N281-Q285 WeakPolarHBondContact O-CB 3.38Å; N281-Q285 PolarHBondContact O-N 3.11Å; K282-Q285 WeakPolarHBondContact O-CB 3.44Å; K282-Q285 PolarHBondContact O-N 2.94Å; K282-Q285 VanDerWaalsContact O-N 3.13Å; Q285-I287 VanDerWaalsContact C-N 3.34Å; Q285-I287 PolarHBondContact O-N 3.4Å; Q285-D288 PolarHBondContact O-N 2.91Å; Q285-D289 VanDerWaalsContact NE2-CG 3.3Å; Q285-D289 PolarHBondContact NE2-OD1 2.91Å; Q285-D289 VanDerWaalsContact NE2-OD1 3.12Å; Q285-D289 PolarHBondContact NE2-OD2 3.41Å; Q285-D289 PolarHBondContact O-N 3.22Å
286E97.7Very high97.2Very high121 Ų12196.6 Ų96.657%0.56548%0.482SS*.Hα-helixtrans-61.6-40.3175.6-72.8171.8-16000112.1K282 L283 D289 A290K282-E286 WeakPolarHBondContact O-CG 3.31Å; K282-E286 PolarHBondContact O-N 2.87Å; L283-E286 PolarHBondContact O-N 3.46Å; E286-D289 PolarHBondContact O-N 3.12Å; E286-A290 VanDerWaalsContact O-CB 3.32Å; E286-A290 WeakPolarHBondContact O-CB 3.44Å; E286-A290 PolarHBondContact O-N 3Å
287I97.3Very high97.2Very high98 Ų9895.6 Ų95.650%0.50348%0.484SS..Hα-helixtrans-63.4-44.4174.1-72.7166.5000110.9L283 R284 Q285 D289 A290 N291L283-I287 WeakPolarHBondContact O-CB 3.43Å; L283-I287 VanDerWaalsContact O-CG1 3.24Å; L283-I287 WeakPolarHBondContact O-CG1 3.46Å; L283-I287 PolarHBondContact O-N 2.91Å; R284-I287 PolarHBondContact O-N 3.13Å; Q285-I287 VanDerWaalsContact C-N 3.34Å; Q285-I287 PolarHBondContact O-N 3.4Å; I287-D289 VanDerWaalsContact C-N 3.34Å; I287-D289 PolarHBondContact O-N 2.88Å; I287-A290 PolarHBondContact O-N 2.92Å; I287-N291 WeakPolarHBondContact CG2-ND2 3.24Å; I287-N291 WeakPolarHBondContact O-CB 3.33Å; I287-N291 PolarHBondContact O-N 3.49Å; I287-N291 PolarHBondContact O-ND2 3.45Å; I287-N291 VanDerWaalsContact O-ND2 3.12Å
288D97.8Very high97.2Very high81 Ų8195.9 Ų95.943%0.43348%0.483SS..Hα-helixtrans-64.1-39.5178.7-74.9-17000111.8R284 Q285 N291 R292R284-D288 PolarHBondContact O-N 3.34Å; Q285-D288 PolarHBondContact O-N 2.91Å; D288-N291 PolarHBondContact O-N 3.5Å; D288-R292 VanDerWaalsContact O-CG 3.31Å; D288-R292 WeakPolarHBondContact O-CG 3.35Å; D288-R292 PolarHBondContact O-N 3.04Å
289D97.2Very high97.3Very high61 Ų6197.8 Ų97.833%0.32648%0.484SS..Hα-helixtrans-70-43177.2-68.6-31.3000111.6Q285 E286 I287 N291 R292 E293Q285-D289 VanDerWaalsContact NE2-CG 3.3Å; Q285-D289 PolarHBondContact NE2-OD1 2.91Å; Q285-D289 VanDerWaalsContact NE2-OD1 3.12Å; Q285-D289 PolarHBondContact NE2-OD2 3.41Å; Q285-D289 PolarHBondContact O-N 3.22Å; E286-D289 PolarHBondContact O-N 3.12Å; I287-D289 VanDerWaalsContact C-N 3.34Å; I287-D289 PolarHBondContact O-N 2.88Å; D289-N291 VanDerWaalsContact C-N 3.34Å; D289-N291 PolarHBondContact O-N 2.9Å; D289-R292 WeakPolarHBondContact O-CB 3.32Å; D289-R292 PolarHBondContact O-N 3.4Å; D289-R292 IonicContact OD1-CZ 2.95Å; D289-R292 IonicContact OD1-NH1 2.68Å; D289-R292 PolarHBondContact OD1-NH1 3.18Å; D289-E293 PolarHBondContact O-N 3.45Å
290A97.1Very high97.3Very high48 Ų4896 Ų9640%0.39748%0.48SS..Hα-helixtrans-61.6-40.7173.300000112.2E286 I287 R292 E293 V294E286-A290 VanDerWaalsContact O-CB 3.32Å; E286-A290 WeakPolarHBondContact O-CB 3.44Å; E286-A290 PolarHBondContact O-N 3Å; I287-A290 PolarHBondContact O-N 2.92Å; A290-R292 VanDerWaalsContact C-N 3.32Å; A290-R292 PolarHBondContact O-N 3.37Å; A290-E293 PolarHBondContact O-N 3.45Å; A290-V294 WeakPolarHBondContact O-CG2 3.46Å; A290-V294 PolarHBondContact O-N 3.45Å
291N97.7Very high97.4Very high91 Ų9196.8 Ų96.849%0.48748%0.483SS..Hα-helixtrans-63.1-38.2175.4-76.5-32.3000112I287 D288 D289 V294 V295I287-N291 WeakPolarHBondContact CG2-ND2 3.24Å; I287-N291 WeakPolarHBondContact O-CB 3.33Å; I287-N291 PolarHBondContact O-N 3.49Å; I287-N291 PolarHBondContact O-ND2 3.45Å; I287-N291 VanDerWaalsContact O-ND2 3.12Å; D288-N291 PolarHBondContact O-N 3.5Å; D289-N291 VanDerWaalsContact C-N 3.34Å; D289-N291 PolarHBondContact O-N 2.9Å; N291-V294 PolarHBondContact O-N 2.69Å; N291-V295 WeakPolarHBondContact O-CG2 3.38Å; N291-V295 PolarHBondContact O-N 2.99Å
292R97Very high97.4Very high155 Ų15596.2 Ų96.259%0.58548%0.48SS*.Hα-helixtrans-63.2-44.8173.7-73168.3-176164.5-1.4111.3D288 D289 A290 V294 V295 E296D288-R292 VanDerWaalsContact O-CG 3.31Å; D288-R292 WeakPolarHBondContact O-CG 3.35Å; D288-R292 PolarHBondContact O-N 3.04Å; D289-R292 WeakPolarHBondContact O-CB 3.32Å; D289-R292 PolarHBondContact O-N 3.4Å; D289-R292 IonicContact OD1-CZ 2.95Å; D289-R292 IonicContact OD1-NH1 2.68Å; D289-R292 PolarHBondContact OD1-NH1 3.18Å; A290-R292 VanDerWaalsContact C-N 3.32Å; A290-R292 PolarHBondContact O-N 3.37Å; R292-V294 VanDerWaalsContact C-N 3.34Å; R292-V294 PolarHBondContact O-N 3.31Å; R292-V295 PolarHBondContact O-N 3.48Å; R292-E296 WeakPolarHBondContact O-CG 3.36Å; R292-E296 PolarHBondContact O-N 2.94Å
293E97.6Very high97.4Very high144 Ų14495.9 Ų95.967%0.67348%0.481SS*.Hα-helixtrans-61.1-42.2177.1-71.3-179.1-179.300112.1D289 A290 E296 A297D289-E293 PolarHBondContact O-N 3.45Å; A290-E293 PolarHBondContact O-N 3.45Å; E293-E296 PolarHBondContact O-N 2.89Å; E293-A297 WeakPolarHBondContact O-CB 3.47Å; E293-A297 PolarHBondContact O-N 3.03Å
294V98Very high97.4Very high77 Ų7796.7 Ų96.747%0.46749%0.485SS..Hα-helixtrans-60.6-48175.3170.20000111A290 N291 R292 E296 A297 E298A290-V294 WeakPolarHBondContact O-CG2 3.46Å; A290-V294 PolarHBondContact O-N 3.45Å; N291-V294 PolarHBondContact O-N 2.69Å; R292-V294 VanDerWaalsContact C-N 3.34Å; R292-V294 PolarHBondContact O-N 3.31Å; V294-E296 VanDerWaalsContact C-N 3.33Å; V294-E296 PolarHBondContact O-N 3.26Å; V294-A297 PolarHBondContact O-N 3.43Å; V294-E298 HydrophobicContact CG1-CG 4.37Å; V294-E298 WeakPolarHBondContact O-CB 3.41Å; V294-E298 WeakPolarHBondContact O-CG 3.34Å; V294-E298 PolarHBondContact O-N 3.01Å
295V97.6Very high97.4Very high68 Ų6894.2 Ų94.241%0.41248%0.48SS..Hα-helixtrans-61.5-40.4178.8168.60000111.8N291 R292 E298 K299N291-V295 WeakPolarHBondContact O-CG2 3.38Å; N291-V295 PolarHBondContact O-N 2.99Å; R292-V295 PolarHBondContact O-N 3.48Å; V295-E298 PolarHBondContact O-N 3.03Å; V295-K299 WeakPolarHBondContact O-CG 3.41Å; V295-K299 PolarHBondContact O-N 3.49Å
296E96.8Very high97.4Very high102 Ų10294.9 Ų94.948%0.47749%0.491SS..Hα-helixtrans-68.2-40.5176.1-68.9-53.913300112.1R292 E293 V294 E298 K299 V300R292-E296 WeakPolarHBondContact O-CG 3.36Å; R292-E296 PolarHBondContact O-N 2.94Å; E293-E296 PolarHBondContact O-N 2.89Å; V294-E296 VanDerWaalsContact C-N 3.33Å; V294-E296 PolarHBondContact O-N 3.26Å; E296-E298 PolarHBondContact O-N 3.29Å; E296-K299 WeakPolarHBondContact O-CB 3.48Å; E296-K299 PolarHBondContact O-N 3.48Å; E296-K299 IonicContact OE1-NZ 3.13Å; E296-K299 PolarHBondContact OE1-NZ 3.23Å; E296-K299 IonicContact OE2-NZ 3.64Å; E296-V300 WeakPolarHBondContact O-CG2 3.36Å; E296-V300 PolarHBondContact O-N 3.48Å
297A97Very high97.4Very high50 Ų5098.2 Ų98.241%0.41350%0.498SS..Hα-helixtrans-61.8-42.8173.900000111.7E293 V294 K299 V300 I301E293-A297 WeakPolarHBondContact O-CB 3.47Å; E293-A297 PolarHBondContact O-N 3.03Å; V294-A297 PolarHBondContact O-N 3.43Å; A297-K299 PolarHBondContact O-N 2.85Å; A297-V300 PolarHBondContact O-N 3.07Å; A297-I301 VanDerWaalsContact O-CG1 3.31Å; A297-I301 WeakPolarHBondContact O-CG1 3.49Å; A297-I301 PolarHBondContact O-N 3.39Å
298E97.7Very high97.4Very high106 Ų10698.2 Ų98.250%0.49550%0.499SS..Hα-helixtrans-61.4-41.5175-75.1176.8168.500112V294 V295 E296 V300 I301 N302V294-E298 HydrophobicContact CG1-CG 4.37Å; V294-E298 WeakPolarHBondContact O-CB 3.41Å; V294-E298 WeakPolarHBondContact O-CG 3.34Å; V294-E298 PolarHBondContact O-N 3.01Å; V295-E298 PolarHBondContact O-N 3.03Å; E296-E298 PolarHBondContact O-N 3.29Å; E298-V300 PolarHBondContact O-N 3.31Å; E298-I301 PolarHBondContact O-N 3.5Å; E298-N302 WeakPolarHBondContact O-CB 3.32Å; E298-N302 VanDerWaalsContact O-CG 3.25Å; E298-N302 PolarHBondContact O-N 3.38Å; E298-N302 PolarHBondContact O-ND2 2.87Å; E298-N302 VanDerWaalsContact O-ND2 3.07Å
299K97.5Very high97.4Very high98 Ų9898.1 Ų98.143%0.42650%0.503SS..Hα-helixtrans-59.9-45.7173.5-74.3172.3-173.6169.70111.7V295 E296 A297 N302 Q303V295-K299 WeakPolarHBondContact O-CG 3.41Å; V295-K299 PolarHBondContact O-N 3.49Å; E296-K299 WeakPolarHBondContact O-CB 3.48Å; E296-K299 PolarHBondContact O-N 3.48Å; E296-K299 IonicContact OE1-NZ 3.13Å; E296-K299 PolarHBondContact OE1-NZ 3.23Å; E296-K299 IonicContact OE2-NZ 3.64Å; A297-K299 PolarHBondContact O-N 2.85Å; K299-N302 PolarHBondContact O-N 2.9Å; K299-Q303 VanDerWaalsContact O-CG 3.28Å; K299-Q303 WeakPolarHBondContact O-CG 3.31Å; K299-Q303 PolarHBondContact O-N 2.89Å
300V97.8Very high97.4Very high73 Ų7396.8 Ų96.844%0.44251%0.505SS..Hα-helixtrans-64-43.3178.4172.90000110.8E296 A297 E298 N302 Q303 L304E296-V300 WeakPolarHBondContact O-CG2 3.36Å; E296-V300 PolarHBondContact O-N 3.48Å; A297-V300 PolarHBondContact O-N 3.07Å; E298-V300 PolarHBondContact O-N 3.31Å; V300-N302 PolarHBondContact O-N 3.37Å; V300-Q303 PolarHBondContact O-N 3.49Å; V300-L304 HydrophobicContact CG1-CD1 3.96Å; V300-L304 HydrophobicContact CG1-CG 4.34Å; V300-L304 WeakPolarHBondContact O-CB 3.28Å; V300-L304 WeakPolarHBondContact O-CG 3.45Å; V300-L304 PolarHBondContact O-N 2.96Å
301I97.9Very high97.4Very high88 Ų8897 Ų9745%0.45151%0.506SS..Hα-helixtrans-58.9-49175.4-72.2167.7000110.5A297 E298 Q303 L304 Q305A297-I301 VanDerWaalsContact O-CG1 3.31Å; A297-I301 WeakPolarHBondContact O-CG1 3.49Å; A297-I301 PolarHBondContact O-N 3.39Å; E298-I301 PolarHBondContact O-N 3.5Å; I301-Q303 VanDerWaalsContact C-N 3.32Å; I301-Q303 PolarHBondContact O-N 3.24Å; I301-L304 PolarHBondContact O-N 2.8Å; I301-Q305 HydrophobicContact CG2-CG 4.28Å; I301-Q305 WeakPolarHBondContact O-CB 3.36Å; I301-Q305 WeakPolarHBondContact O-CG 3.31Å; I301-Q305 PolarHBondContact O-N 2.99Å
302N96.7Very high97.4Very high90 Ų9098.1 Ų98.148%0.48151%0.508SS..Hα-helixtrans-61.9-39.2179.4-72.9-35.3000112.3E298 K299 V300 T306E298-N302 WeakPolarHBondContact O-CB 3.32Å; E298-N302 VanDerWaalsContact O-CG 3.25Å; E298-N302 PolarHBondContact O-N 3.38Å; E298-N302 PolarHBondContact O-ND2 2.87Å; E298-N302 VanDerWaalsContact O-ND2 3.07Å; K299-N302 PolarHBondContact O-N 2.9Å; V300-N302 PolarHBondContact O-N 3.37Å; N302-T306 WeakPolarHBondContact O-CB 3.33Å; N302-T306 PolarHBondContact O-N 3.49Å; N302-T306 PolarHBondContact O-OG1 2.99Å
303Q97.5Very high97.4Very high124 Ų12495.3 Ų95.358%0.57950%0.502SS*.Hα-helixtrans-64.1-45.1174.1-73.8173800111.8K299 V300 I301 T306 R307K299-Q303 VanDerWaalsContact O-CG 3.28Å; K299-Q303 WeakPolarHBondContact O-CG 3.31Å; K299-Q303 PolarHBondContact O-N 2.89Å; V300-Q303 PolarHBondContact O-N 3.49Å; I301-Q303 VanDerWaalsContact C-N 3.32Å; I301-Q303 PolarHBondContact O-N 3.24Å; Q303-T306 PolarHBondContact O-N 3.39Å; Q303-R307 WeakPolarHBondContact O-CG 3.37Å; Q303-R307 PolarHBondContact O-N 2.82Å
304L97.3Very high97.4Very high100 Ų10094.6 Ų94.652%0.52450%0.499SS..Hα-helixtrans-65.4-41.2178.1-72.4175.3000111.8V300 I301 R307 L308V300-L304 HydrophobicContact CG1-CD1 3.96Å; V300-L304 HydrophobicContact CG1-CG 4.34Å; V300-L304 WeakPolarHBondContact O-CB 3.28Å; V300-L304 WeakPolarHBondContact O-CG 3.45Å; V300-L304 PolarHBondContact O-N 2.96Å; I301-L304 PolarHBondContact O-N 2.8Å; L304-R307 PolarHBondContact O-N 3.19Å; L304-L308 VanDerWaalsContact O-CB 3.31Å; L304-L308 WeakPolarHBondContact O-CB 3.47Å; L304-L308 PolarHBondContact O-N 3.33Å
305Q98.2Very high97.4Very high112 Ų11295.9 Ų95.952%0.52350%0.503SS..Hα-helixtrans-62.1-43174.7-75.3175.4-16.500111.9I301 R307 L308 C309I301-Q305 HydrophobicContact CG2-CG 4.28Å; I301-Q305 WeakPolarHBondContact O-CB 3.36Å; I301-Q305 WeakPolarHBondContact O-CG 3.31Å; I301-Q305 PolarHBondContact O-N 2.99Å; Q305-R307 PolarHBondContact O-N 2.83Å; Q305-L308 PolarHBondContact O-N 3.12Å; Q305-C309 WeakPolarHBondContact O-CB 3.47Å; Q305-C309 PolarHBondContact O-N 3.34Å
306T96.4Very high97.4Very high105 Ų10597.6 Ų97.664%0.64451%0.509SS*.Hα-helixtrans-62.6-43.6176.2-55.60000111.3N302 Q303 G310N302-T306 WeakPolarHBondContact O-CB 3.33Å; N302-T306 PolarHBondContact O-N 3.49Å; N302-T306 PolarHBondContact O-OG1 2.99Å; Q303-T306 PolarHBondContact O-N 3.39Å; T306-G310 PolarHBondContact O-N 3.39Å
307R97.9Very high97.4Very high191 Ų19198 Ų9872%0.72151%0.511SS*.Hα-helixtrans-65.4-41176.6-73.4-179.768.4176.51.4112.3Q303 L304 Q305 G310 A311Q303-R307 WeakPolarHBondContact O-CG 3.37Å; Q303-R307 PolarHBondContact O-N 2.82Å; L304-R307 PolarHBondContact O-N 3.19Å; Q305-R307 PolarHBondContact O-N 2.83Å; R307-G310 PolarHBondContact O-N 3.04Å; R307-A311 WeakPolarHBondContact O-CB 3.44Å; R307-A311 PolarHBondContact O-N 3.35Å
308L97.1Very high97.4Very high98 Ų98102.5 Ų102.551%0.51352%0.521SS..Hα-helixtrans-62.2-48.9177.1179.763.4000110.4L304 Q305 G310 A311 E312L304-L308 VanDerWaalsContact O-CB 3.31Å; L304-L308 WeakPolarHBondContact O-CB 3.47Å; L304-L308 PolarHBondContact O-N 3.33Å; Q305-L308 PolarHBondContact O-N 3.12Å; L308-G310 VanDerWaalsContact C-N 3.3Å; L308-G310 PolarHBondContact O-N 2.92Å; L308-A311 PolarHBondContact O-N 2.92Å; L308-A311 VanDerWaalsContact O-N 3.12Å; L308-E312 HydrophobicContact CD1-CG 4.16Å; L308-E312 HydrophobicContact CG-CG 4.32Å; L308-E312 WeakPolarHBondContact O-CB 3.46Å; L308-E312 WeakPolarHBondContact O-CG 3.34Å; L308-E312 PolarHBondContact O-N 2.96Å
309C97.3Very high97.4Very high79 Ų79102.6 Ų102.653%0.53452%0.521SS..Hα-helixtrans-57.8-42.3176.7179.90000112Q305 E312 Q313Q305-C309 WeakPolarHBondContact O-CB 3.47Å; Q305-C309 PolarHBondContact O-N 3.34Å; C309-E312 PolarHBondContact O-N 3.45Å; C309-Q313 WeakPolarHBondContact O-CB 3.44Å; C309-Q313 PolarHBondContact O-N 3.39Å
310G96.9Very high97.4Very high34 Ų34101 Ų10135%0.35152%0.523SS..Hα-helixtrans-61.5-45.7174.100000113T306 R307 L308 Q313 E314T306-G310 PolarHBondContact O-N 3.39Å; R307-G310 PolarHBondContact O-N 3.04Å; L308-G310 VanDerWaalsContact C-N 3.3Å; L308-G310 PolarHBondContact O-N 2.92Å; G310-Q313 PolarHBondContact O-N 2.83Å; G310-E314 WeakPolarHBondContact O-CG 3.38Å; G310-E314 PolarHBondContact O-N 3.47Å
311A97Very high97.3Very high53 Ų53100 Ų10044%0.43852%0.522SS..Hα-helixtrans-67.4-37.7178.900000112.9R307 L308 E314 L315R307-A311 WeakPolarHBondContact O-CB 3.44Å; R307-A311 PolarHBondContact O-N 3.35Å; L308-A311 PolarHBondContact O-N 2.92Å; L308-A311 VanDerWaalsContact O-N 3.12Å; A311-E314 PolarHBondContact O-N 2.98Å; A311-L315 WeakPolarHBondContact O-CB 3.43Å; A311-L315 PolarHBondContact O-N 3.41Å
312E98.1Very high97.3Very high113 Ų113100.7 Ų100.753%0.52853%0.526SS..Hα-helixtrans-64.5-41.8175.2-74.2174.616000111.4L308 C309 L315 L316L308-E312 HydrophobicContact CD1-CG 4.16Å; L308-E312 HydrophobicContact CG-CG 4.32Å; L308-E312 WeakPolarHBondContact O-CB 3.46Å; L308-E312 WeakPolarHBondContact O-CG 3.34Å; L308-E312 PolarHBondContact O-N 2.96Å; C309-E312 PolarHBondContact O-N 3.45Å; E312-L315 PolarHBondContact O-N 3.03Å; E312-L316 PolarHBondContact O-N 2.92Å
313Q97.5Very high97.3Very high96 Ų96101.1 Ų101.145%0.44953%0.528SS..Hα-helixtrans-65.2-44.7175.1-179.56128.500111.8C309 G310 L315 L316 E317C309-Q313 WeakPolarHBondContact O-CB 3.44Å; C309-Q313 PolarHBondContact O-N 3.39Å; G310-Q313 PolarHBondContact O-N 2.83Å; Q313-L315 VanDerWaalsContact C-N 3.32Å; Q313-L315 PolarHBondContact O-N 3.5Å; Q313-L316 PolarHBondContact O-N 3.15Å; Q313-E317 PolarHBondContact NE2-OE1 3.31Å; Q313-E317 WeakPolarHBondContact O-CG 3.27Å; Q313-E317 PolarHBondContact O-N 2.96Å
314E97.4Very high97.3Very high130 Ų13099.7 Ų99.761%0.60752%0.521SS*.Hα-helixtrans-60.1-42.2174.8-76.7-179.1-17400111.6G310 A311 E317 K318G310-E314 WeakPolarHBondContact O-CG 3.38Å; G310-E314 PolarHBondContact O-N 3.47Å; A311-E314 PolarHBondContact O-N 2.98Å; E314-E317 PolarHBondContact O-N 3.42Å; E314-K318 VanDerWaalsContact O-CG 3.27Å; E314-K318 WeakPolarHBondContact O-CG 3.37Å; E314-K318 PolarHBondContact O-N 3.01Å
315L97.6Very high97.2Very high104 Ų10498.8 Ų98.855%0.54552%0.517SS..Hα-helixtrans-60.9-47.1177-176.667.2000111.1A311 E312 Q313 E317 K318 E319A311-L315 WeakPolarHBondContact O-CB 3.43Å; A311-L315 PolarHBondContact O-N 3.41Å; E312-L315 PolarHBondContact O-N 3.03Å; Q313-L315 VanDerWaalsContact C-N 3.32Å; Q313-L315 PolarHBondContact O-N 3.5Å; L315-E317 VanDerWaalsContact C-N 3.34Å; L315-E317 PolarHBondContact O-N 3.37Å; L315-K318 PolarHBondContact O-N 2.86Å; L315-K318 VanDerWaalsContact O-N 3.15Å; L315-E319 WeakPolarHBondContact O-CG 3.4Å; L315-E319 PolarHBondContact O-N 3.18Å
316L97.7Very high97.2Very high103 Ų10398.7 Ų98.754%0.53952%0.516SS..Hα-helixtrans-59.7-42.8177.8-174.670.7000112E312 Q313 K318 E319 S320E312-L316 PolarHBondContact O-N 2.92Å; Q313-L316 PolarHBondContact O-N 3.15Å; L316-K318 VanDerWaalsContact C-N 3.35Å; L316-E319 PolarHBondContact O-N 2.86Å; L316-S320 PolarHBondContact O-N 3.29Å
317E97.3Very high97.2Very high112 Ų11299.3 Ų99.352%0.52351%0.512SS..Hα-helixtrans-63.8-39.7175.7-73.3172.8-165.600112.1Q313 E314 L315 S320 A321Q313-E317 PolarHBondContact NE2-OE1 3.31Å; Q313-E317 WeakPolarHBondContact O-CG 3.27Å; Q313-E317 PolarHBondContact O-N 2.96Å; E314-E317 PolarHBondContact O-N 3.42Å; L315-E317 VanDerWaalsContact C-N 3.34Å; L315-E317 PolarHBondContact O-N 3.37Å; E317-S320 PolarHBondContact O-N 3Å; E317-A321 WeakPolarHBondContact O-CB 3.35Å; E317-A321 PolarHBondContact O-N 3.34Å
318K96.7Very high97.1Very high144 Ų14497.5 Ų97.563%0.62651%0.505SS*.Hα-helixtrans-67.4-40.6175.4-68.2-60.8179.4-170.30112.3E314 L315 L316 A321 L322E314-K318 VanDerWaalsContact O-CG 3.27Å; E314-K318 WeakPolarHBondContact O-CG 3.37Å; E314-K318 PolarHBondContact O-N 3.01Å; L315-K318 PolarHBondContact O-N 2.86Å; L315-K318 VanDerWaalsContact O-N 3.15Å; L316-K318 VanDerWaalsContact C-N 3.35Å; K318-A321 PolarHBondContact O-N 2.96Å; K318-L322 WeakPolarHBondContact O-CB 3.41Å; K318-L322 WeakPolarHBondContact O-CG 3.39Å; K318-L322 PolarHBondContact O-N 2.98Å
319E98Very high97.1Very high108 Ų10897 Ų9751%0.50550%0.503SS..Hα-helixtrans-61.7-45174.9-74.1177.4169.600111.3L315 L316 A321 L322 L323L315-E319 WeakPolarHBondContact O-CG 3.4Å; L315-E319 PolarHBondContact O-N 3.18Å; L316-E319 PolarHBondContact O-N 2.86Å; E319-A321 PolarHBondContact O-N 3.47Å; E319-L322 PolarHBondContact O-N 2.97Å; E319-L323 PolarHBondContact O-N 3.48Å
320S96.7Very high97Very high65 Ų6599.6 Ų99.646%0.45551%0.506SS..Hα-helixtrans-60.4-44.9174.3-170.50000111.9L316 E317 L322 L323 E324L316-S320 PolarHBondContact O-N 3.29Å; E317-S320 PolarHBondContact O-N 3Å; S320-L322 VanDerWaalsContact C-N 3.34Å; S320-L322 PolarHBondContact O-N 3.38Å; S320-L323 PolarHBondContact O-N 3.09Å; S320-E324 PolarHBondContact O-N 3.3Å
321A97.2Very high96.9Very high51 Ų51103.6 Ų103.642%0.42152%0.516SS..Hα-helixtrans-66.3-35.1178.700000112.8E317 K318 E319 N325E317-A321 WeakPolarHBondContact O-CB 3.35Å; E317-A321 PolarHBondContact O-N 3.34Å; K318-A321 PolarHBondContact O-N 2.96Å; E319-A321 PolarHBondContact O-N 3.47Å; A321-N325 WeakPolarHBondContact O-CB 3.41Å; A321-N325 PolarHBondContact O-N 3.5Å; A321-N325 VanDerWaalsContact O-N 3.09Å
322L97Very high96.9Very high103 Ų103105.9 Ų105.954%0.53952%0.52SS..Hα-helixtrans-65.6-44.9174.1-80.2171.4000111.1K318 E319 S320 E324 N325 E326K318-L322 WeakPolarHBondContact O-CB 3.41Å; K318-L322 WeakPolarHBondContact O-CG 3.39Å; K318-L322 PolarHBondContact O-N 2.98Å; E319-L322 PolarHBondContact O-N 2.97Å; S320-L322 VanDerWaalsContact C-N 3.34Å; S320-L322 PolarHBondContact O-N 3.38Å; L322-E324 PolarHBondContact O-N 3.04Å; L322-N325 WeakPolarHBondContact O-CB 3.36Å; L322-N325 PolarHBondContact O-N 3.49Å; L322-N325 VanDerWaalsContact O-N 3.13Å; L322-E326 WeakPolarHBondContact O-CG 3.37Å; L322-E326 PolarHBondContact O-N 3.34Å
323L97Very high96.8Very high99 Ų99105.9 Ų105.952%0.51852%0.523SS..Hα-helixtrans-59.1-48176.8-170.974.8000111.6E319 S320 N325 E326 E327E319-L323 PolarHBondContact O-N 3.48Å; S320-L323 PolarHBondContact O-N 3.09Å; L323-N325 VanDerWaalsContact C-N 3.25Å; L323-N325 PolarHBondContact O-N 2.97Å; L323-E326 PolarHBondContact O-N 3.34Å; L323-E327 WeakPolarHBondContact O-CG 3.29Å; L323-E327 PolarHBondContact O-N 3.13Å
324E96.5Very high96.7Very high93 Ų93104.2 Ų104.244%0.43553%0.526SS..Hα-helixtrans-58.6-38.1175.4-74.4-176.3-161.300112.4S320 L322 R328S320-E324 PolarHBondContact O-N 3.3Å; L322-E324 PolarHBondContact O-N 3.04Å; E324-R328 VanDerWaalsContact O-CG 3.29Å; E324-R328 WeakPolarHBondContact O-CG 3.47Å; E324-R328 PolarHBondContact O-N 3.05Å; E324-R328 IonicContact OE2-NH2 2.66Å; E324-R328 PolarHBondContact OE2-NH2 3.34Å
325N96.4Very high96.7Very high81 Ų81100.9 Ų100.943%0.43351%0.512SS..Hα-helixtrans-71.3-38.9178.6-168.328.6000111.8A321 L322 L323 R328 L329A321-N325 WeakPolarHBondContact O-CB 3.41Å; A321-N325 PolarHBondContact O-N 3.5Å; A321-N325 VanDerWaalsContact O-N 3.09Å; L322-N325 WeakPolarHBondContact O-CB 3.36Å; L322-N325 PolarHBondContact O-N 3.49Å; L322-N325 VanDerWaalsContact O-N 3.13Å; L323-N325 VanDerWaalsContact C-N 3.25Å; L323-N325 PolarHBondContact O-N 2.97Å; N325-R328 PolarHBondContact O-N 3.35Å; N325-L329 WeakPolarHBondContact O-CB 3.45Å; N325-L329 WeakPolarHBondContact O-CG 3.49Å; N325-L329 PolarHBondContact O-N 3.2Å
326E97Very high96.6Very high111 Ų111100.5 Ų100.552%0.51951%0.51SS..Hα-helixtrans-60.6-44.3172.9-74.8-178.5176.700111.4L322 L323 R328 L329 Q330L322-E326 WeakPolarHBondContact O-CG 3.37Å; L322-E326 PolarHBondContact O-N 3.34Å; L323-E326 PolarHBondContact O-N 3.34Å; E326-R328 PolarHBondContact O-N 3.49Å; E326-L329 PolarHBondContact O-N 3.47Å; E326-Q330 WeakPolarHBondContact O-CG 3.43Å; E326-Q330 PolarHBondContact O-N 2.88Å
327E96.8Very high96.5Very high117 Ų117104.1 Ų104.155%0.54752%0.517SS..Hα-helixtrans-61.5-43.5175-71.1-178.6170.100112.1L323 L329 Q330 H331L323-E327 WeakPolarHBondContact O-CG 3.29Å; L323-E327 PolarHBondContact O-N 3.13Å; E327-L329 VanDerWaalsContact C-N 3.35Å; E327-L329 PolarHBondContact O-N 2.85Å; E327-Q330 PolarHBondContact O-N 2.88Å; E327-H331 PolarHBondContact O-N 2.96Å
328R97.1Very high96.4Very high154 Ų154106.4 Ų106.458%0.58152%0.521SS*.Hα-helixtrans-61.1-42.8174.7-74.4174.3-168168.312.2111.7E324 N325 E326 H331 L332E324-R328 VanDerWaalsContact O-CG 3.29Å; E324-R328 WeakPolarHBondContact O-CG 3.47Å; E324-R328 PolarHBondContact O-N 3.05Å; E324-R328 IonicContact OE2-NH2 2.66Å; E324-R328 PolarHBondContact OE2-NH2 3.34Å; N325-R328 PolarHBondContact O-N 3.35Å; E326-R328 PolarHBondContact O-N 3.49Å; R328-H331 PolarHBondContact O-N 3.32Å; R328-L332 WeakPolarHBondContact O-CG 3.44Å; R328-L332 PolarHBondContact O-N 2.97Å
329L95.7Very high96.3Very high88 Ų88103.9 Ų103.946%0.46151%0.513SS..Hα-helixtrans-64.5-42.8177.1-77.8169.4000111.7N325 E326 E327 H331 L332 L333N325-L329 WeakPolarHBondContact O-CB 3.45Å; N325-L329 WeakPolarHBondContact O-CG 3.49Å; N325-L329 PolarHBondContact O-N 3.2Å; E326-L329 PolarHBondContact O-N 3.47Å; E327-L329 VanDerWaalsContact C-N 3.35Å; E327-L329 PolarHBondContact O-N 2.85Å; L329-H331 VanDerWaalsContact C-N 3.32Å; L329-H331 PolarHBondContact O-N 2.88Å; L329-L332 PolarHBondContact O-N 3.24Å; L329-L333 WeakPolarHBondContact O-CB 3.48Å; L329-L333 WeakPolarHBondContact O-CG 3.37Å; L329-L333 PolarHBondContact O-N 3.44Å
330Q96.3Very high96.2Very high132 Ų132104.5 Ų104.562%0.61752%0.516SS*.Hα-helixtrans-60.2-42.9174.8-73.1179.513.300111.7E326 E327 L333 A334E326-Q330 WeakPolarHBondContact O-CG 3.43Å; E326-Q330 PolarHBondContact O-N 2.88Å; E327-Q330 PolarHBondContact O-N 2.88Å; Q330-L333 PolarHBondContact O-N 3.46Å; Q330-A334 WeakPolarHBondContact O-CB 3.35Å; Q330-A334 PolarHBondContact O-N 2.93Å
331H95.2Very high96.1Very high119 Ų119105.1 Ų105.155%0.55151%0.514SS*.Hα-helixtrans-63.1-41.9175.9-174.3-79.6000112.1E327 R328 L329 A334 N335E327-H331 PolarHBondContact O-N 2.96Å; R328-H331 PolarHBondContact O-N 3.32Å; L329-H331 VanDerWaalsContact C-N 3.32Å; L329-H331 PolarHBondContact O-N 2.88Å; H331-A334 PolarHBondContact O-N 3.25Å; H331-N335 PolarHBondContact CE1-ND2 2.85Å; H331-N335 PolarHBondContact ND1-ND2 3.37Å; H331-N335 WeakPolarHBondContact O-CB 3.44Å; H331-N335 PolarHBondContact O-N 3.21Å
332L95.8Very high95.9Very high100 Ų100105.1 Ų105.152%0.52451%0.509SS..Hα-helixtrans-64.4-42175.5-73.3172.6000112.2R328 L329 N335 L336R328-L332 WeakPolarHBondContact O-CG 3.44Å; R328-L332 PolarHBondContact O-N 2.97Å; L329-L332 PolarHBondContact O-N 3.24Å; L332-N335 WeakPolarHBondContact O-CB 3.5Å; L332-N335 PolarHBondContact O-N 3.38Å; L332-L336 WeakPolarHBondContact O-CG 3.46Å; L332-L336 PolarHBondContact O-N 2.98Å
333L96.6Very high95.7Very high114 Ų114105.4 Ų105.460%0.59751%0.51SS*.Hα-helixtrans-63.6-43176-75170.7000112L329 Q330 N335 L336 R337L329-L333 WeakPolarHBondContact O-CB 3.48Å; L329-L333 WeakPolarHBondContact O-CG 3.37Å; L329-L333 PolarHBondContact O-N 3.44Å; Q330-L333 PolarHBondContact O-N 3.46Å; L333-N335 VanDerWaalsContact C-N 3.32Å; L333-N335 PolarHBondContact O-N 3.35Å; L333-L336 PolarHBondContact O-N 3.04Å; L333-R337 WeakPolarHBondContact O-CB 3.45Å; L333-R337 PolarHBondContact O-N 3Å
334A96.1Very high95.6Very high61 Ų61107.4 Ų107.450%0.50452%0.517SS..Hα-helixtrans-62-40.6174.700000111.9Q330 H331 R337 R338Q330-A334 WeakPolarHBondContact O-CB 3.35Å; Q330-A334 PolarHBondContact O-N 2.93Å; H331-A334 PolarHBondContact O-N 3.25Å; A334-R337 PolarHBondContact O-N 3.48Å; A334-R338 WeakPolarHBondContact O-CB 3.46Å; A334-R338 PolarHBondContact O-N 3.35Å
335N96Very high95.5Very high60 Ų60109.2 Ų109.232%0.32152%0.523SS..Hα-helixtrans-64.8-44.3174.9-85.1-14000112.8H331 L332 L333 R337 R338 L339H331-N335 PolarHBondContact CE1-ND2 2.85Å; H331-N335 PolarHBondContact ND1-ND2 3.37Å; H331-N335 WeakPolarHBondContact O-CB 3.44Å; H331-N335 PolarHBondContact O-N 3.21Å; L332-N335 WeakPolarHBondContact O-CB 3.5Å; L332-N335 PolarHBondContact O-N 3.38Å; L333-N335 VanDerWaalsContact C-N 3.32Å; L333-N335 PolarHBondContact O-N 3.35Å; N335-R337 VanDerWaalsContact C-N 3.35Å; N335-R338 PolarHBondContact O-N 2.87Å; N335-L339 WeakPolarHBondContact O-CG 3.5Å; N335-L339 PolarHBondContact O-N 3.3Å
336L95.5Very high95.4Very high95 Ų95111.1 Ų111.150%0.49753%0.53SS..Hα-helixtrans-57.7-49.5175.2-80.2169.5000110.6L332 L333 R338 L339 E340L332-L336 WeakPolarHBondContact O-CG 3.46Å; L332-L336 PolarHBondContact O-N 2.98Å; L333-L336 PolarHBondContact O-N 3.04Å; L336-R338 VanDerWaalsContact C-N 3.3Å; L336-R338 PolarHBondContact O-N 3.33Å; L336-L339 WeakPolarHBondContact O-CB 3.38Å; L336-L339 PolarHBondContact O-N 2.93Å; L336-E340 WeakPolarHBondContact O-CG 3.38Å; L336-E340 PolarHBondContact O-N 3.3Å
337R96.1Very high95.2Very high179 Ų179108.2 Ų108.268%0.67553%0.525SS*.Hα-helixtrans-59-41178-164.1177.1-172.9171.93.6112.5L333 A334 N335 E340 D341L333-R337 WeakPolarHBondContact O-CB 3.45Å; L333-R337 PolarHBondContact O-N 3Å; A334-R337 PolarHBondContact O-N 3.48Å; N335-R337 VanDerWaalsContact C-N 3.35Å; R337-E340 PolarHBondContact O-N 3.47Å; R337-D341 PolarHBondContact O-N 2.97Å
338R95.2Very high95.1Very high161 Ų161105.2 Ų105.261%0.60852%0.52SS*.Hα-helixtrans-63.8-40.7175-169.1-175.973.4128.92.1111.9A334 N335 L336 T342A334-R338 WeakPolarHBondContact O-CB 3.46Å; A334-R338 PolarHBondContact O-N 3.35Å; N335-R338 PolarHBondContact O-N 2.87Å; L336-R338 VanDerWaalsContact C-N 3.3Å; L336-R338 PolarHBondContact O-N 3.33Å; R338-T342 WeakPolarHBondContact O-CG2 3.47Å; R338-T342 PolarHBondContact O-N 2.68Å; R338-T342 VanDerWaalsContact O-N 3.1Å; R338-T342 PolarHBondContact O-OG1 3.27Å
339L94.1Very high94.9Very high90 Ų90102.3 Ų102.347%0.47152%0.515SS..Hα-helixtrans-66.7-42.4177.1-73.4171.5000111.1N335 L336 T342 I343N335-L339 WeakPolarHBondContact O-CG 3.5Å; N335-L339 PolarHBondContact O-N 3.3Å; L336-L339 WeakPolarHBondContact O-CB 3.38Å; L336-L339 PolarHBondContact O-N 2.93Å; L339-T342 WeakPolarHBondContact CA-OG1 3.34Å; L339-T342 PolarHBondContact O-N 3.42Å; L339-T342 VanDerWaalsContact O-N 3.14Å; L339-T342 PolarHBondContact O-OG1 3.4Å; L339-I343 WeakPolarHBondContact O-CG1 3.37Å; L339-I343 PolarHBondContact O-N 3.01Å
340E95.5Very high94.7Very high122 Ų122102.5 Ų102.557%0.5752%0.515SS*.Hα-helixtrans-56.9-50.1174.1-71.8170.9164.800111.4L336 R337 T342 I343 E344L336-E340 WeakPolarHBondContact O-CG 3.38Å; L336-E340 PolarHBondContact O-N 3.3Å; R337-E340 PolarHBondContact O-N 3.47Å; E340-T342 VanDerWaalsContact C-N 3.27Å; E340-T342 PolarHBondContact O-N 3.14Å; E340-I343 PolarHBondContact O-N 2.92Å; E340-I343 VanDerWaalsContact O-N 3.12Å; E340-E344 PolarHBondContact O-N 3.12Å
341D94.6Very high94.6Very high77 Ų7799.6 Ų99.641%0.41251%0.509SS..Hα-helixtrans-57.8-37.9175.3-78.1-1000112.4R337 K345R337-D341 PolarHBondContact O-N 2.97Å; D341-K345 WeakPolarHBondContact O-CB 3.34Å; D341-K345 WeakPolarHBondContact O-CD 3.31Å; D341-K345 VanDerWaalsContact O-CG 3.25Å; D341-K345 WeakPolarHBondContact O-CG 3.28Å; D341-K345 PolarHBondContact O-N 2.9Å
342T93.9Very high94.5Very high52 Ų5299.9 Ų99.932%0.31951%0.511SS..Hα-helixtrans-70.7-37.8177.557.30000112.5R338 L339 E340 K345 Q346R338-T342 WeakPolarHBondContact O-CG2 3.47Å; R338-T342 PolarHBondContact O-N 2.68Å; R338-T342 VanDerWaalsContact O-N 3.1Å; R338-T342 PolarHBondContact O-OG1 3.27Å; L339-T342 WeakPolarHBondContact CA-OG1 3.34Å; L339-T342 PolarHBondContact O-N 3.42Å; L339-T342 VanDerWaalsContact O-N 3.14Å; L339-T342 PolarHBondContact O-OG1 3.4Å; E340-T342 VanDerWaalsContact C-N 3.27Å; E340-T342 PolarHBondContact O-N 3.14Å; T342-K345 PolarHBondContact O-N 3.1Å; T342-Q346 WeakPolarHBondContact O-CB 3.43Å; T342-Q346 VanDerWaalsContact O-CG 3.31Å; T342-Q346 WeakPolarHBondContact O-CG 3.47Å; T342-Q346 PolarHBondContact O-N 3.45Å
343I93.3Very high94.2Very high109 Ų109100.1 Ų100.156%0.55951%0.512SS*.Hα-helixtrans-64.7-43.6175.8-70.7167.7000109.5L339 E340 Q346 A347L339-I343 WeakPolarHBondContact O-CG1 3.37Å; L339-I343 PolarHBondContact O-N 3.01Å; E340-I343 PolarHBondContact O-N 2.92Å; E340-I343 VanDerWaalsContact O-N 3.12Å; I343-Q346 PolarHBondContact O-N 2.92Å; I343-A347 WeakPolarHBondContact O-CB 3.25Å; I343-A347 PolarHBondContact O-N 3.3Å
344E94.3Very high94.1Very high140 Ų140100.6 Ų100.665%0.65451%0.511SS*.Hα-helixtrans-62.3-44.9177.2-171175.7-16800111.9E340 Q346 A347 A348E340-E344 PolarHBondContact O-N 3.12Å; E344-Q346 PolarHBondContact O-N 3.45Å; E344-A347 PolarHBondContact O-N 2.83Å; E344-A348 PolarHBondContact O-N 2.9Å
345K94.4Very high93.8Very high132 Ų132100.1 Ų100.157%0.57451%0.508SS*.Hα-helixtrans-60-43.9173.9-73.5167.1-173.6166.10112.1D341 T342 A348 I349D341-K345 WeakPolarHBondContact O-CB 3.34Å; D341-K345 WeakPolarHBondContact O-CD 3.31Å; D341-K345 VanDerWaalsContact O-CG 3.25Å; D341-K345 WeakPolarHBondContact O-CG 3.28Å; D341-K345 PolarHBondContact O-N 2.9Å; T342-K345 PolarHBondContact O-N 3.1Å; K345-A348 PolarHBondContact O-N 2.89Å; K345-I349 VanDerWaalsContact O-CG1 3.32Å; K345-I349 WeakPolarHBondContact O-CG1 3.5Å; K345-I349 PolarHBondContact O-N 3.26Å
346Q93.3Very high93.6Very high121 Ų121103.7 Ų103.757%0.56552%0.521SS*.Hα-helixtrans-65-42.1177.3-76.4-178.9-6.900111.7T342 I343 E344 A348 I349 I350T342-Q346 WeakPolarHBondContact O-CB 3.43Å; T342-Q346 VanDerWaalsContact O-CG 3.31Å; T342-Q346 WeakPolarHBondContact O-CG 3.47Å; T342-Q346 PolarHBondContact O-N 3.45Å; I343-Q346 PolarHBondContact O-N 2.92Å; E344-Q346 PolarHBondContact O-N 3.45Å; Q346-A348 VanDerWaalsContact C-N 3.33Å; Q346-A348 PolarHBondContact O-N 3.27Å; Q346-I349 PolarHBondContact O-N 3.45Å; Q346-I350 VanDerWaalsContact O-CG1 3.28Å; Q346-I350 WeakPolarHBondContact O-CG1 3.32Å; Q346-I350 PolarHBondContact O-N 3.06Å
347A94.5Very high93.3Very high50 Ų50106.8 Ų106.841%0.41353%0.527SS..Hα-helixtrans-59.1-44.1174.800000111.4I343 E344 I349 I350 S351I343-A347 WeakPolarHBondContact O-CB 3.25Å; I343-A347 PolarHBondContact O-N 3.3Å; E344-A347 PolarHBondContact O-N 2.83Å; A347-I349 PolarHBondContact O-N 2.95Å; A347-I350 PolarHBondContact O-N 3.38Å; A347-S351 PolarHBondContact O-N 3.38Å; A347-S351 PolarHBondContact O-OG 3.15Å
348A93.1Very high93.1Very high53 Ų53101 Ų10144%0.43852%0.517SS..Hα-helixtrans-62.7-41.9176.100000113E344 K345 Q346 S351 Q352E344-A348 PolarHBondContact O-N 2.9Å; K345-A348 PolarHBondContact O-N 2.89Å; Q346-A348 VanDerWaalsContact C-N 3.33Å; Q346-A348 PolarHBondContact O-N 3.27Å; A348-S351 PolarHBondContact O-N 2.93Å; A348-Q352 WeakPolarHBondContact O-CG 3.49Å; A348-Q352 PolarHBondContact O-N 2.89Å
349I93.7Very high92.9Very high93 Ų9398.8 Ų98.848%0.47752%0.517SS..Hα-helixtrans-63.4-43.8175.3-68.5165.5000110.7K345 Q346 A347 S351 Q352 L353K345-I349 VanDerWaalsContact O-CG1 3.32Å; K345-I349 WeakPolarHBondContact O-CG1 3.5Å; K345-I349 PolarHBondContact O-N 3.26Å; Q346-I349 PolarHBondContact O-N 3.45Å; A347-I349 PolarHBondContact O-N 2.95Å; I349-S351 VanDerWaalsContact C-N 3.34Å; I349-S351 PolarHBondContact O-N 3.24Å; I349-Q352 PolarHBondContact O-N 3.49Å; I349-L353 HydrophobicContact CG2-CD1 4.04Å; I349-L353 HydrophobicContact CG2-CG 4.45Å; I349-L353 WeakPolarHBondContact O-CG 3.38Å; I349-L353 PolarHBondContact O-N 3.02Å
350I92.1Very high92.6Very high92 Ų92100.4 Ų100.447%0.47252%0.523SS..Hα-helixtrans-60.5-45.4177.1-71166.7000110.1Q346 A347 Q352 L353 Q354Q346-I350 VanDerWaalsContact O-CG1 3.28Å; Q346-I350 WeakPolarHBondContact O-CG1 3.32Å; Q346-I350 PolarHBondContact O-N 3.06Å; A347-I350 PolarHBondContact O-N 3.38Å; I350-Q352 PolarHBondContact O-N 2.86Å; I350-L353 PolarHBondContact O-N 3.27Å; I350-Q354 HydrophobicContact CG2-CG 4.37Å; I350-Q354 WeakPolarHBondContact O-CB 3.49Å; I350-Q354 VanDerWaalsContact O-CG 3.31Å; I350-Q354 WeakPolarHBondContact O-CG 3.48Å; I350-Q354 PolarHBondContact O-N 3.44Å
351S92.8Very high92.5Very high71 Ų7197.3 Ų97.350%0.49751%0.512SS..Hα-helixtrans-61.1-40.4175.7-66.60000112.8A347 A348 I349 Q354 A355A347-S351 PolarHBondContact O-N 3.38Å; A347-S351 PolarHBondContact O-OG 3.15Å; A348-S351 PolarHBondContact O-N 2.93Å; I349-S351 VanDerWaalsContact C-N 3.34Å; I349-S351 PolarHBondContact O-N 3.24Å; S351-Q354 PolarHBondContact O-N 3.29Å; S351-A355 WeakPolarHBondContact O-CB 3.31Å; S351-A355 PolarHBondContact O-N 2.99Å
352Q93.5Very high92.3Very high126 Ų12697.6 Ų97.659%0.58951%0.513SS*.Hα-helixtrans-65.4-41.6175.1-75.3-1774.900112.7A348 I349 I350 A355 K356A348-Q352 WeakPolarHBondContact O-CG 3.49Å; A348-Q352 PolarHBondContact O-N 2.89Å; I349-Q352 PolarHBondContact O-N 3.49Å; I350-Q352 PolarHBondContact O-N 2.86Å; Q352-A355 PolarHBondContact O-N 3.29Å; Q352-K356 WeakPolarHBondContact O-CG 3.42Å; Q352-K356 PolarHBondContact O-N 3.49Å
353L90.7Very high91.9Very high105 Ų105100.6 Ų100.655%0.5552%0.524SS..Hα-helixtrans-66.1-39.7176.4-76.6173.2000111.5I349 I350 K356 Y357I349-L353 HydrophobicContact CG2-CD1 4.04Å; I349-L353 HydrophobicContact CG2-CG 4.45Å; I349-L353 WeakPolarHBondContact O-CG 3.38Å; I349-L353 PolarHBondContact O-N 3.02Å; I350-L353 PolarHBondContact O-N 3.27Å; L353-K356 PolarHBondContact O-N 3.12Å; L353-Y357 VanDerWaalsContact O-CB 3.29Å; L353-Y357 WeakPolarHBondContact O-CB 3.49Å; L353-Y357 PolarHBondContact O-N 2.92Å
354Q92.5Very high91.6Very high123 Ų12399.1 Ų99.158%0.57552%0.52SS*.Hα-helixtrans-62.2-42.2173.7-76.2175.3-22.400111.8I350 S351 Y357 A358I350-Q354 HydrophobicContact CG2-CG 4.37Å; I350-Q354 WeakPolarHBondContact O-CB 3.49Å; I350-Q354 VanDerWaalsContact O-CG 3.31Å; I350-Q354 WeakPolarHBondContact O-CG 3.48Å; I350-Q354 PolarHBondContact O-N 3.44Å; S351-Q354 PolarHBondContact O-N 3.29Å; Q354-Y357 PolarHBondContact O-N 3.37Å; Q354-A358 WeakPolarHBondContact O-CB 3.29Å; Q354-A358 PolarHBondContact O-N 3.33Å
355A91.1Very high91.4Very high52 Ų5298.1 Ų98.143%0.4352%0.515SS..Hα-helixtrans-62.5-48.5174.600000111.9S351 Q352 Y357 A358 D359S351-A355 WeakPolarHBondContact O-CB 3.31Å; S351-A355 PolarHBondContact O-N 2.99Å; Q352-A355 PolarHBondContact O-N 3.29Å; A355-Y357 VanDerWaalsContact C-N 3.28Å; A355-Y357 PolarHBondContact O-N 2.86Å; A355-A358 WeakPolarHBondContact O-CB 3.4Å; A355-A358 PolarHBondContact O-N 3.41Å; A355-A358 VanDerWaalsContact O-N 3.12Å; A355-D359 PolarHBondContact O-N 2.94Å
356K91.8Very high91.1Very high135 Ų13596.4 Ų96.459%0.58751%0.508SS*.Hα-helixtrans-58.9-39.6175.5-74.6179.8179.4179.70112.5Q352 L353 D359 Q360Q352-K356 WeakPolarHBondContact O-CG 3.42Å; Q352-K356 PolarHBondContact O-N 3.49Å; L353-K356 PolarHBondContact O-N 3.12Å; K356-D359 PolarHBondContact O-N 3.38Å; K356-Q360 WeakPolarHBondContact O-CB 2.68Å; K356-Q360 PolarHBondContact O-N 3.44Å
357Y89.8Confident90.7Very high160 Ų16092 Ų9263%0.62750%0.495SS*.Hα-helixtrans-67-39.8177.2-170.2-98000111.3L353 Q354 A355 Q360 V361L353-Y357 VanDerWaalsContact O-CB 3.29Å; L353-Y357 WeakPolarHBondContact O-CB 3.49Å; L353-Y357 PolarHBondContact O-N 2.92Å; Q354-Y357 PolarHBondContact O-N 3.37Å; A355-Y357 VanDerWaalsContact C-N 3.28Å; A355-Y357 PolarHBondContact O-N 2.86Å; Y357-Q360 PolarHBondContact O-N 3.3Å; Y357-V361 HydrophobicContact CD1-CG2 4.06Å; Y357-V361 HydrophobicContact CE1-CG2 3.78Å; Y357-V361 VanDerWaalsContact O-CG2 3.29Å; Y357-V361 WeakPolarHBondContact O-CG2 3.23Å; Y357-V361 PolarHBondContact O-N 3.22Å
358A91.5Very high90.3Very high58 Ų5894 Ų9448%0.47950%0.497SS..Hα-helixtrans-62.3-44.6174.400000112.2Q354 A355 Q360 V361 D362Q354-A358 WeakPolarHBondContact O-CB 3.29Å; Q354-A358 PolarHBondContact O-N 3.33Å; A355-A358 WeakPolarHBondContact O-CB 3.4Å; A355-A358 PolarHBondContact O-N 3.41Å; A355-A358 VanDerWaalsContact O-N 3.12Å; A358-Q360 VanDerWaalsContact C-N 3.32Å; A358-Q360 PolarHBondContact O-N 2.89Å; A358-V361 PolarHBondContact O-N 2.76Å; A358-D362 PolarHBondContact O-N 3.37Å
359D90.4Very high90Very high114 Ų11497.3 Ų97.361%0.6150%0.504SS*.Hα-helixtrans-60.9-42.2174.8-68.2-22.2000111.5A355 K356 D362 E363A355-D359 PolarHBondContact O-N 2.94Å; K356-D359 PolarHBondContact O-N 3.38Å; D359-D362 PolarHBondContact O-N 2.96Å; D359-E363 PolarHBondContact O-N 2.9Å
360Q88.4Confident89.8Confident124 Ų12497.6 Ų97.658%0.57951%0.505SS*.Hα-helixtrans-65.8-38.6177.9-169.2177.86.300111.9K356 Y357 A358 E363 T364K356-Q360 WeakPolarHBondContact O-CB 2.68Å; K356-Q360 PolarHBondContact O-N 3.44Å; Y357-Q360 PolarHBondContact O-N 3.3Å; A358-Q360 VanDerWaalsContact C-N 3.32Å; A358-Q360 PolarHBondContact O-N 2.89Å; Q360-E363 PolarHBondContact O-N 3Å; Q360-T364 WeakPolarHBondContact O-CG2 3.39Å; Q360-T364 PolarHBondContact O-N 3.18Å; Q360-T364 PolarHBondContact O-OG1 2.97Å
361V92.3Very high89.4Confident56 Ų5699 Ų9934%0.33951%0.513SS..Hα-helixtrans-60.1-48.4173.4168.40000110.1Y357 A358 E363 T364 Q365Y357-V361 HydrophobicContact CD1-CG2 4.06Å; Y357-V361 HydrophobicContact CE1-CG2 3.78Å; Y357-V361 VanDerWaalsContact O-CG2 3.29Å; Y357-V361 WeakPolarHBondContact O-CG2 3.23Å; Y357-V361 PolarHBondContact O-N 3.22Å; A358-V361 PolarHBondContact O-N 2.76Å; V361-E363 VanDerWaalsContact C-N 3.33Å; V361-E363 PolarHBondContact O-N 3.29Å; V361-T364 PolarHBondContact O-N 2.97Å; V361-T364 PolarHBondContact O-OG1 3.48Å; V361-Q365 PolarHBondContact O-N 3.25Å
362D90.1Very high89Confident83 Ų83101.7 Ų101.744%0.44451%0.512SS..Hα-helixtrans-59.2-42.4178.2-169.354.4000112.1A358 D359 Q365 K366A358-D362 PolarHBondContact O-N 3.37Å; D359-D362 PolarHBondContact O-N 2.96Å; D362-Q365 WeakPolarHBondContact O-CB 3.44Å; D362-Q365 PolarHBondContact O-N 2.97Å; D362-K366 WeakPolarHBondContact O-CG 3.12Å; D362-K366 PolarHBondContact O-N 2.91Å; D362-K366 WeakPolarHBondContact OD2-CE 3.5Å; D362-K366 IonicContact OD2-NZ 3.72Å; D362-K366 PolarHBondContact OD2-NZ 3.41Å
363E87.2Confident88.9Confident116 Ų116103.5 Ų103.554%0.54251%0.514SS..Hα-helixtrans-66.4-40.9178.2-161.658.3-151.400112.8D359 Q360 V361 Q365 K366 G367D359-E363 PolarHBondContact O-N 2.9Å; Q360-E363 PolarHBondContact O-N 3Å; V361-E363 VanDerWaalsContact C-N 3.33Å; V361-E363 PolarHBondContact O-N 3.29Å; E363-Q365 VanDerWaalsContact C-N 3.27Å; E363-Q365 PolarHBondContact O-N 3.03Å; E363-K366 WeakPolarHBondContact O-CB 3.29Å; E363-K366 PolarHBondContact O-N 3.26Å; E363-K366 IonicContact OE2-NZ 3.65Å; E363-K366 PolarHBondContact OE2-NZ 2.96Å; E363-G367 PolarHBondContact O-N 3.4Å
364T87.1Confident88.7Confident77 Ų77104 Ų10447%0.47251%0.512SS..Hα-helixtrans-64.5-34.4173.658.90000112.1Q360 V361 G367 I368Q360-T364 WeakPolarHBondContact O-CG2 3.39Å; Q360-T364 PolarHBondContact O-N 3.18Å; Q360-T364 PolarHBondContact O-OG1 2.97Å; V361-T364 PolarHBondContact O-N 2.97Å; V361-T364 PolarHBondContact O-OG1 3.48Å; T364-G367 PolarHBondContact O-N 3.32Å; T364-I368 WeakPolarHBondContact O-CG1 3.43Å; T364-I368 PolarHBondContact O-N 3.45Å
365Q89.3Confident88.4Confident119 Ų119105.5 Ų105.556%0.55652%0.516SS*.Hα-helixtrans-66.9-40.9176.2-126.5151.9-38.100111.8V361 D362 E363 I368 H369V361-Q365 PolarHBondContact O-N 3.25Å; D362-Q365 WeakPolarHBondContact O-CB 3.44Å; D362-Q365 PolarHBondContact O-N 2.97Å; E363-Q365 VanDerWaalsContact C-N 3.27Å; E363-Q365 PolarHBondContact O-N 3.03Å; Q365-I368 PolarHBondContact O-N 3.22Å; Q365-H369 PolarHBondContact O-N 2.9Å; Q365-H369 VanDerWaalsContact O-N 3.09Å
366K87.7Confident88.2Confident97 Ų97108.6 Ų108.642%0.42252%0.522SS..Hα-helixtrans-59.6-45.7170-67.7170.6-163.4147.70111.3D362 E363 I368 H369 I370D362-K366 WeakPolarHBondContact O-CG 3.12Å; D362-K366 PolarHBondContact O-N 2.91Å; D362-K366 WeakPolarHBondContact OD2-CE 3.5Å; D362-K366 IonicContact OD2-NZ 3.72Å; D362-K366 PolarHBondContact OD2-NZ 3.41Å; E363-K366 WeakPolarHBondContact O-CB 3.29Å; E363-K366 PolarHBondContact O-N 3.26Å; E363-K366 IonicContact OE2-NZ 3.65Å; E363-K366 PolarHBondContact OE2-NZ 2.96Å; K366-I368 PolarHBondContact O-N 3.27Å; K366-H369 WeakPolarHBondContact O-CB 3.36Å; K366-H369 PolarHBondContact O-N 2.96Å; K366-H369 VanDerWaalsContact O-N 3.08Å; K366-I370 WeakPolarHBondContact O-CG1 3.33Å; K366-I370 PolarHBondContact O-N 3.31Å
367G85.7Confident88Confident29 Ų29106.5 Ų106.530%0.29951%0.514SS..Hα-helixtrans-57.8-45.6176.400000113.3E363 T364 H369 I370 L371E363-G367 PolarHBondContact O-N 3.4Å; T364-G367 PolarHBondContact O-N 3.32Å; G367-H369 VanDerWaalsContact C-N 3.26Å; G367-H369 PolarHBondContact O-N 3.31Å; G367-I370 PolarHBondContact O-N 2.99Å; G367-L371 PolarHBondContact O-N 3.24Å
368I85.1Confident87.8Confident90 Ų90103.7 Ų103.746%0.46251%0.509SS..Hα-helixtrans-59.6-38174.7-70.6166.8000111.1T364 Q365 K366 L371 R372T364-I368 WeakPolarHBondContact O-CG1 3.43Å; T364-I368 PolarHBondContact O-N 3.45Å; Q365-I368 PolarHBondContact O-N 3.22Å; K366-I368 PolarHBondContact O-N 3.27Å; I368-L371 PolarHBondContact O-N 3.36Å; I368-R372 PolarHBondContact O-N 3.47Å
369H88.3Confident87.4Confident124 Ų124105 Ų10557%0.57451%0.511SS*.Hα-helixtrans-67.2-39.2179.4-143.8-59.7000112.6Q365 K366 G367 R372 R373Q365-H369 PolarHBondContact O-N 2.9Å; Q365-H369 VanDerWaalsContact O-N 3.09Å; K366-H369 WeakPolarHBondContact O-CB 3.36Å; K366-H369 PolarHBondContact O-N 2.96Å; K366-H369 VanDerWaalsContact O-N 3.08Å; G367-H369 VanDerWaalsContact C-N 3.26Å; G367-H369 PolarHBondContact O-N 3.31Å; H369-R372 PolarHBondContact O-N 3.03Å; H369-R373 PolarHBondContact O-N 3Å
370I88.3Confident87.3Confident98 Ų98102.9 Ų102.950%0.50350%0.497SS..Hα-helixtrans-65.1-45.9174.8-64.9168.7000110.5K366 G367 R372 R373 F374K366-I370 WeakPolarHBondContact O-CG1 3.33Å; K366-I370 PolarHBondContact O-N 3.31Å; G367-I370 PolarHBondContact O-N 2.99Å; I370-R372 VanDerWaalsContact C-N 3.29Å; I370-R372 PolarHBondContact O-N 3.44Å; I370-R373 WeakPolarHBondContact O-CB 3.45Å; I370-R373 PolarHBondContact O-N 2.79Å; I370-F374 HydrophobicContact CG2-CD2 4.03Å; I370-F374 HydrophobicContact CG2-CE2 3.78Å; I370-F374 PolarHBondContact O-N 3.04Å
371L83.7Confident87Confident121 Ų121101 Ų10163%0.63450%0.495SS*.Hα-helixtrans-60.2-39.2177.8-79.5168000112.4G367 I368 F374 K375G367-L371 PolarHBondContact O-N 3.24Å; I368-L371 PolarHBondContact O-N 3.36Å; L371-F374 PolarHBondContact O-N 3.27Å; L371-K375 PolarHBondContact O-N 3.08Å
372R85.5Confident86.6Confident129 Ų129103.7 Ų103.749%0.48751%0.507SS..Hα-helixtrans-62.5-43.4176.1-168.2177.7-59.1143.44.5111.7I368 H369 I370 K375 E376I368-R372 PolarHBondContact O-N 3.47Å; H369-R372 PolarHBondContact O-N 3.03Å; I370-R372 VanDerWaalsContact C-N 3.29Å; I370-R372 PolarHBondContact O-N 3.44Å; R372-K375 WeakPolarHBondContact O-CB 3.03Å; R372-K375 PolarHBondContact O-N 3.09Å; R372-E376 PolarHBondContact O-N 3.2Å
373R90.5Very high86.3Confident164 Ų164106.3 Ų106.362%0.61951%0.511SS*.Hα-helixtrans-60.7-46.4176.3-175.2-178177.1156.54.3111.9H369 I370 K375 E376 E377H369-R373 PolarHBondContact O-N 3Å; I370-R373 WeakPolarHBondContact O-CB 3.45Å; I370-R373 PolarHBondContact O-N 2.79Å; R373-K375 VanDerWaalsContact C-N 3.31Å; R373-K375 PolarHBondContact O-N 3.45Å; R373-E376 PolarHBondContact O-N 3.12Å; R373-E377 IonicContact NE-OE1 2.81Å; R373-E377 PolarHBondContact NE-OE1 2.69Å; R373-E377 PolarHBondContact O-N 3.1Å
374F86.6Confident86.2Confident115 Ų115106.1 Ų106.150%0.50451%0.508SS..Hα-helixtrans-62.5-38.7176.2-77.5-39.3000112.7I370 L371 E376 E377 I378I370-F374 HydrophobicContact CG2-CD2 4.03Å; I370-F374 HydrophobicContact CG2-CE2 3.78Å; I370-F374 PolarHBondContact O-N 3.04Å; L371-F374 PolarHBondContact O-N 3.27Å; F374-E376 VanDerWaalsContact C-N 3.33Å; F374-E376 PolarHBondContact O-N 3.3Å; F374-E377 PolarHBondContact O-N 3.07Å; F374-I378 VanDerWaalsContact O-CG1 3.27Å; F374-I378 WeakPolarHBondContact O-CG1 3.35Å; F374-I378 PolarHBondContact O-N 3.35Å
375K86.5Confident85.9Confident154 Ų154105 Ų10567%0.6751%0.506SS*.Hα-helixtrans-60.2-43.7175.5-172.8178179-179.60111.6L371 R372 R373 I378 T379L371-K375 PolarHBondContact O-N 3.08Å; R372-K375 WeakPolarHBondContact O-CB 3.03Å; R372-K375 PolarHBondContact O-N 3.09Å; R373-K375 VanDerWaalsContact C-N 3.31Å; R373-K375 PolarHBondContact O-N 3.45Å; K375-I378 PolarHBondContact O-N 3.39Å; K375-T379 WeakPolarHBondContact O-CG2 3.45Å; K375-T379 PolarHBondContact O-N 3.17Å; K375-T379 PolarHBondContact O-OG1 3.07Å
376E86Confident85.6Confident118 Ų118103 Ų10355%0.55151%0.506SS*.Hα-helixtrans-63.3-45.6176.8-74.2168.3-171.600111.8R372 R373 F374 I378 T379 E380R372-E376 PolarHBondContact O-N 3.2Å; R373-E376 PolarHBondContact O-N 3.12Å; F374-E376 VanDerWaalsContact C-N 3.33Å; F374-E376 PolarHBondContact O-N 3.3Å; E376-I378 VanDerWaalsContact C-N 3.33Å; E376-I378 PolarHBondContact O-N 3.42Å; E376-T379 WeakPolarHBondContact CA-OG1 3.43Å; E376-T379 PolarHBondContact O-N 3.45Å; E376-T379 VanDerWaalsContact O-N 3.16Å; E376-T379 PolarHBondContact O-OG1 3.05Å; E376-E380 PolarHBondContact O-N 3.42Å
377E88Confident85.3Confident90 Ų90102.9 Ų102.942%0.42151%0.509SS..Hα-helixtrans-61.4-39.1176.8-72.3174.1-171.100112.4R373 F374 E380 T381R373-E377 IonicContact NE-OE1 2.81Å; R373-E377 PolarHBondContact NE-OE1 2.69Å; R373-E377 PolarHBondContact O-N 3.1Å; F374-E377 PolarHBondContact O-N 3.07Å; E377-E380 PolarHBondContact O-N 3.25Å; E377-T381 WeakPolarHBondContact O-CG2 3.49Å; E377-T381 PolarHBondContact O-N 3.41Å; E377-T381 PolarHBondContact O-OG1 3.36Å
378I86.3Confident85Confident102 Ų102110.8 Ų110.852%0.52353%0.53SS..Hα-helixtrans-64.4-42.2174.1-70.1167.4000111.2F374 K375 E376 E380 T381 N382F374-I378 VanDerWaalsContact O-CG1 3.27Å; F374-I378 WeakPolarHBondContact O-CG1 3.35Å; F374-I378 PolarHBondContact O-N 3.35Å; K375-I378 PolarHBondContact O-N 3.39Å; E376-I378 VanDerWaalsContact C-N 3.33Å; E376-I378 PolarHBondContact O-N 3.42Å; I378-E380 PolarHBondContact O-N 3Å; I378-T381 WeakPolarHBondContact CA-OG1 3.44Å; I378-T381 PolarHBondContact O-N 2.95Å; I378-T381 PolarHBondContact O-OG1 3.24Å; I378-N382 WeakPolarHBondContact O-CB 3.44Å; I378-N382 PolarHBondContact O-N 3.41Å
379T83.3Confident84.7Confident84 Ų84109.2 Ų109.252%0.51553%0.531SS..Hα-helixtrans-64.5-39.8178.454.10000112.4K375 E376 N382 R383K375-T379 WeakPolarHBondContact O-CG2 3.45Å; K375-T379 PolarHBondContact O-N 3.17Å; K375-T379 PolarHBondContact O-OG1 3.07Å; E376-T379 WeakPolarHBondContact CA-OG1 3.43Å; E376-T379 PolarHBondContact O-N 3.45Å; E376-T379 VanDerWaalsContact O-N 3.16Å; E376-T379 PolarHBondContact O-OG1 3.05Å; T379-N382 PolarHBondContact O-N 3.04Å; T379-R383 PolarHBondContact O-N 3.48Å
380E87.2Confident84.3Confident71 Ų71109.6 Ų109.633%0.33253%0.533SS..Hα-helixtrans-70.7-37.6179.4-177.456-158.900112.1E376 E377 I378 R383 K384E376-E380 PolarHBondContact O-N 3.42Å; E377-E380 PolarHBondContact O-N 3.25Å; I378-E380 PolarHBondContact O-N 3Å; E380-R383 PolarHBondContact O-N 3.39Å; E380-R383 IonicContact OE1-CZ 3.99Å; E380-R383 IonicContact OE1-NE 3.24Å; E380-R383 IonicContact OE1-NH2 3.47Å; E380-R383 PolarHBondContact OE1-NH2 3.47Å; E380-R383 IonicContact OE2-CZ 3.86Å; E380-R383 IonicContact OE2-NE 2.62Å; E380-R383 PolarHBondContact OE2-NE 2.98Å; E380-R383 IonicContact OE2-NH2 3.22Å; E380-K384 WeakPolarHBondContact O-CG 3.46Å; E380-K384 PolarHBondContact O-N 3.04Å; E380-K384 VanDerWaalsContact OE1-CE 3.31Å; E380-K384 WeakPolarHBondContact OE1-CE 3.27Å
381T82.2Confident83.9Confident85 Ų85109.2 Ų109.252%0.52153%0.531SS..Hα-helixtrans-66.1-40.6173.748.60000112E377 I378 R383 K384 A385E377-T381 WeakPolarHBondContact O-CG2 3.49Å; E377-T381 PolarHBondContact O-N 3.41Å; E377-T381 PolarHBondContact O-OG1 3.36Å; I378-T381 WeakPolarHBondContact CA-OG1 3.44Å; I378-T381 PolarHBondContact O-N 2.95Å; I378-T381 PolarHBondContact O-OG1 3.24Å; T381-R383 PolarHBondContact O-N 3.43Å; T381-K384 PolarHBondContact O-N 3.47Å; T381-A385 PolarHBondContact O-N 3.46Å
382N85.2Confident83.6Confident111 Ų111105.8 Ų105.859%0.59452%0.52SS*.Hα-helixtrans-61.8-41.9173-100.4-18.8000112.5I378 T379 K384 A385 S386I378-N382 WeakPolarHBondContact O-CB 3.44Å; I378-N382 PolarHBondContact O-N 3.41Å; T379-N382 PolarHBondContact O-N 3.04Å; N382-K384 VanDerWaalsContact C-N 3.33Å; N382-K384 PolarHBondContact O-N 3.18Å; N382-A385 PolarHBondContact O-N 2.97Å; N382-S386 PolarHBondContact O-N 3.4Å
383R82.6Confident83.3Confident139 Ų139103.4 Ų103.453%0.52552%0.519SS..Hα-helixtrans-60.2-43.8176-164.5-173.470.780.83.2111.4T379 E380 T381 L387T379-R383 PolarHBondContact O-N 3.48Å; E380-R383 PolarHBondContact O-N 3.39Å; E380-R383 IonicContact OE1-CZ 3.99Å; E380-R383 IonicContact OE1-NE 3.24Å; E380-R383 IonicContact OE1-NH2 3.47Å; E380-R383 PolarHBondContact OE1-NH2 3.47Å; E380-R383 IonicContact OE2-CZ 3.86Å; E380-R383 IonicContact OE2-NE 2.62Å; E380-R383 PolarHBondContact OE2-NE 2.98Å; E380-R383 IonicContact OE2-NH2 3.22Å; T381-R383 PolarHBondContact O-N 3.43Å; R383-L387 PolarHBondContact O-N 3.22Å
384K85Confident82.9Confident112 Ų112101.9 Ų101.949%0.48752%0.519SS..Hα-helixtrans-63.8-41175.6-73.1174.1-178.7174.10112.5E380 T381 N382 L387 R388E380-K384 WeakPolarHBondContact O-CG 3.46Å; E380-K384 PolarHBondContact O-N 3.04Å; E380-K384 VanDerWaalsContact OE1-CE 3.31Å; E380-K384 WeakPolarHBondContact OE1-CE 3.27Å; T381-K384 PolarHBondContact O-N 3.47Å; N382-K384 VanDerWaalsContact C-N 3.33Å; N382-K384 PolarHBondContact O-N 3.18Å; K384-L387 PolarHBondContact O-N 3.3Å; K384-R388 PolarHBondContact O-N 3.05Å
385A80.4Confident82.6Confident53 Ų53102.5 Ų102.544%0.43852%0.524SS..Hα-helixtrans-64.9-44.1178.100000112.2T381 N382 L387 R388 A389T381-A385 PolarHBondContact O-N 3.46Å; N382-A385 PolarHBondContact O-N 2.97Å; A385-L387 VanDerWaalsContact C-N 3.33Å; A385-L387 PolarHBondContact O-N 2.91Å; A385-R388 PolarHBondContact O-N 2.93Å; A385-A389 PolarHBondContact O-N 3.16Å
386S84.5Confident82.1Confident78 Ų78101.9 Ų101.955%0.54552%0.523SS..Hα-helixtrans-58.7-43.8176.3-1770000112.1N382 R388 A389 Q390N382-S386 PolarHBondContact O-N 3.4Å; S386-R388 VanDerWaalsContact C-N 3.35Å; S386-R388 PolarHBondContact O-N 3.02Å; S386-A389 PolarHBondContact O-N 3.19Å; S386-Q390 PolarHBondContact O-N 2.97Å
387L80.4Confident81.8Confident93 Ų93102.4 Ų102.449%0.48752%0.524SS..Hα-helixtrans-61.8-41177-150.382.2000112.1R383 K384 A385 Q390 I391R383-L387 PolarHBondContact O-N 3.22Å; K384-L387 PolarHBondContact O-N 3.3Å; A385-L387 VanDerWaalsContact C-N 3.33Å; A385-L387 PolarHBondContact O-N 2.91Å; L387-Q390 PolarHBondContact O-N 3.47Å; L387-I391 WeakPolarHBondContact O-CG1 3.34Å; L387-I391 PolarHBondContact O-N 2.97Å; L387-I391 VanDerWaalsContact O-N 3.13Å
388R79.9Confident81.5Confident195 Ų195104.3 Ų104.374%0.73653%0.531SS*.Hα-helixtrans-65-41.9176.3-71.5-175.6-174.6-1731.9112.3K384 A385 S386 Q390 I391 A392K384-R388 PolarHBondContact O-N 3.05Å; A385-R388 PolarHBondContact O-N 2.93Å; S386-R388 VanDerWaalsContact C-N 3.35Å; S386-R388 PolarHBondContact O-N 3.02Å; R388-Q390 VanDerWaalsContact C-N 3.3Å; R388-Q390 PolarHBondContact O-N 3.19Å; R388-I391 PolarHBondContact O-N 3.19Å; R388-A392 PolarHBondContact O-N 3.02Å; R388-A392 VanDerWaalsContact O-N 3.1Å
389A78.8Confident81.2Confident58 Ų58103.8 Ų103.848%0.47953%0.532SS..Hα-helixtrans-61.9-40.1176.100000111.7A385 S386 I391 A392 V393A385-A389 PolarHBondContact O-N 3.16Å; S386-A389 PolarHBondContact O-N 3.19Å; A389-I391 PolarHBondContact O-N 3.42Å; A389-A392 PolarHBondContact O-N 3.02Å; A389-V393 WeakPolarHBondContact O-CG2 3.4Å; A389-V393 PolarHBondContact O-N 3.42Å
390Q80.3Confident81Confident132 Ų132106 Ų10662%0.61754%0.536SS*.Hα-helixtrans-65.4-37.5178.1-143.7174.847.400112.7S386 L387 R388 Q394S386-Q390 PolarHBondContact O-N 2.97Å; L387-Q390 PolarHBondContact O-N 3.47Å; R388-Q390 VanDerWaalsContact C-N 3.3Å; R388-Q390 PolarHBondContact O-N 3.19Å; Q390-Q394 PolarHBondContact O-N 2.95Å
391I80Confident80.6Confident90 Ų90109 Ų10946%0.46255%0.551SS.*Hα-helixtrans-65.7-42174.5-67.9165.8000111.1L387 R388 A389 V393 Q394 Q395L387-I391 WeakPolarHBondContact O-CG1 3.34Å; L387-I391 PolarHBondContact O-N 2.97Å; L387-I391 VanDerWaalsContact O-N 3.13Å; R388-I391 PolarHBondContact O-N 3.19Å; A389-I391 PolarHBondContact O-N 3.42Å; I391-V393 PolarHBondContact O-N 3.45Å; I391-Q394 PolarHBondContact O-N 3.29Å; I391-Q395 PolarHBondContact O-N 2.81Å; I391-Q395 VanDerWaalsContact O-N 3.08Å
392A76.9Confident80.4Confident49 Ų49111.9 Ų111.941%0.40555%0.553SS.*Hα-helixtrans-60.5-44.2178.900000112.1R388 A389 Q394 Q395 E396R388-A392 PolarHBondContact O-N 3.02Å; R388-A392 VanDerWaalsContact O-N 3.1Å; A389-A392 PolarHBondContact O-N 3.02Å; A392-Q394 VanDerWaalsContact C-N 3.32Å; A392-Q394 PolarHBondContact O-N 3.04Å; A392-Q395 PolarHBondContact O-N 3.26Å; A392-Q395 VanDerWaalsContact O-N 3.15Å; A392-E396 PolarHBondContact O-N 3.3Å
393V78.6Confident80.1Confident78 Ų78112.6 Ų112.647%0.47355%0.552SS.*Hα-helixtrans-62.1-37.1177172.50000112.3A389 I391 K397A389-V393 WeakPolarHBondContact O-CG2 3.4Å; A389-V393 PolarHBondContact O-N 3.42Å; I391-V393 PolarHBondContact O-N 3.45Å; V393-K397 PolarHBondContact O-N 3.47Å
394Q81.9Confident80.1Confident132 Ų132110.7 Ų110.762%0.61756%0.556SS**Hα-helixtrans-69-34.7176-77.1-79-9.800112.3Q390 I391 A392 K398Q390-Q394 PolarHBondContact O-N 2.95Å; I391-Q394 PolarHBondContact O-N 3.29Å; A392-Q394 VanDerWaalsContact C-N 3.32Å; A392-Q394 PolarHBondContact O-N 3.04Å; Q394-K398 PolarHBondContact O-N 3.28Å
395Q79.9Confident79.8Confident128 Ų128111.3 Ų111.360%0.59856%0.561SS**Hα-helixtrans-69.2-42.6176.1-72.8177.8-19.900111.7I391 A392 K397 K398 V399I391-Q395 PolarHBondContact O-N 2.81Å; I391-Q395 VanDerWaalsContact O-N 3.08Å; A392-Q395 PolarHBondContact O-N 3.26Å; A392-Q395 VanDerWaalsContact O-N 3.15Å; Q395-K397 PolarHBondContact O-N 3.2Å; Q395-K398 PolarHBondContact O-N 3.32Å; Q395-K398 VanDerWaalsContact O-N 3.17Å; Q395-V399 PolarHBondContact O-N 3.37Å
396E77.7Confident79.6Confident141 Ų141113.6 Ų113.666%0.65957%0.565SS**Hα-helixtrans-55.4-48.4175.2-106.6174.9172.900112.3A392 K398 V399 E400A392-E396 PolarHBondContact O-N 3.3Å; E396-K398 VanDerWaalsContact C-N 3.26Å; E396-K398 PolarHBondContact O-N 3.13Å; E396-V399 PolarHBondContact O-N 3.1Å; E396-V399 VanDerWaalsContact O-N 3.12Å; E396-E400 PolarHBondContact O-N 3.43Å
397K79.4Confident79.2Confident129 Ų129114.6 Ų114.656%0.56156%0.564SS**Hα-helixtrans-57.6-36.5177.8-82-175.5173.9-178.80113.7V393 Q395 Q401V393-K397 PolarHBondContact O-N 3.47Å; Q395-K397 PolarHBondContact O-N 3.2Å; K397-Q401 WeakPolarHBondContact O-CG 3.31Å; K397-Q401 PolarHBondContact O-N 3.01Å
398K81.2Confident79.3Confident131 Ų131119.6 Ų119.657%0.5758%0.577SS**Hα-helixtrans-70.6-37.5178.6-108.2-177.4176.5-178.90112.1Q394 Q395 E396 Y402Q394-K398 PolarHBondContact O-N 3.28Å; Q395-K398 PolarHBondContact O-N 3.32Å; Q395-K398 VanDerWaalsContact O-N 3.17Å; E396-K398 VanDerWaalsContact C-N 3.26Å; E396-K398 PolarHBondContact O-N 3.13Å; K398-Y402 VanDerWaalsContact O-CD2 3.29Å; K398-Y402 WeakPolarHBondContact O-CD2 3.39Å; K398-Y402 PolarHBondContact O-N 3.45Å
399V79.5Confident79Confident90 Ų90116.3 Ų116.355%0.54557%0.571SS.*Hα-helixtrans-66-45.7177174.30000110.4Q395 E396 Q401 Y402 E403Q395-V399 PolarHBondContact O-N 3.37Å; E396-V399 PolarHBondContact O-N 3.1Å; E396-V399 VanDerWaalsContact O-N 3.12Å; V399-Q401 VanDerWaalsContact C-N 3.31Å; V399-Q401 PolarHBondContact O-N 3.37Å; V399-Y402 PolarHBondContact O-N 3.24Å; V399-Y402 VanDerWaalsContact O-N 3.13Å; V399-E403 PolarHBondContact O-N 3.15Å
400E79Confident79Confident130 Ų130121 Ų12161%0.60758%0.577SS**Hα-helixtrans-60.9-39.3179-168169.5-155.100112.1E396 E403 V404E396-E400 PolarHBondContact O-N 3.43Å; E400-E403 PolarHBondContact O-N 3.3Å; E400-V404 WeakPolarHBondContact O-CG2 3.35Å; E400-V404 PolarHBondContact O-N 3.37Å; E400-V404 VanDerWaalsContact O-N 3.17Å
401Q78.8Confident78.9Confident136 Ų136122.4 Ų122.464%0.63658%0.58SS**Hα-helixtrans-60.6-45.8173.1-78.5-179.1-10.100112.8K397 V399 E403 V404 E405K397-Q401 WeakPolarHBondContact O-CG 3.31Å; K397-Q401 PolarHBondContact O-N 3.01Å; V399-Q401 VanDerWaalsContact C-N 3.31Å; V399-Q401 PolarHBondContact O-N 3.37Å; Q401-E403 VanDerWaalsContact C-N 3.34Å; Q401-E403 PolarHBondContact O-N 3.33Å; Q401-V404 PolarHBondContact O-N 3.04Å; Q401-E405 PolarHBondContact O-N 3.25Å
402Y79.2Confident78.8Confident145 Ų145124.7 Ų124.757%0.56959%0.587SS**Hα-helixtrans-66.7-33.9178.6-69.4-40.1000112.8K398 V399 E405 L406K398-Y402 VanDerWaalsContact O-CD2 3.29Å; K398-Y402 WeakPolarHBondContact O-CD2 3.39Å; K398-Y402 PolarHBondContact O-N 3.45Å; V399-Y402 PolarHBondContact O-N 3.24Å; V399-Y402 VanDerWaalsContact O-N 3.13Å; Y402-E405 PolarHBondContact O-N 3.23Å; Y402-L406 WeakPolarHBondContact O-CB 3.49Å; Y402-L406 PolarHBondContact O-N 3.47Å
403E79.3Confident78.8Confident125 Ų125128.5 Ų128.558%0.58460%0.598SS**Hα-helixtrans-64.7-44.1176-105.6-177.716200112.7V399 E400 Q401 E405 L406 N407V399-E403 PolarHBondContact O-N 3.15Å; E400-E403 PolarHBondContact O-N 3.3Å; Q401-E403 VanDerWaalsContact C-N 3.34Å; Q401-E403 PolarHBondContact O-N 3.33Å; E403-E405 VanDerWaalsContact C-N 3.32Å; E403-E405 PolarHBondContact O-N 3.08Å; E403-L406 PolarHBondContact O-N 3.37Å; E403-N407 PolarHBondContact O-N 3.21Å
404V80.7Confident78.7Confident100 Ų100131.2 Ų131.261%0.60661%0.606SS**Hα-helixtrans-61.8-42.7176.7172.50000111E400 Q401 N407 R408E400-V404 WeakPolarHBondContact O-CG2 3.35Å; E400-V404 PolarHBondContact O-N 3.37Å; E400-V404 VanDerWaalsContact O-N 3.17Å; Q401-V404 PolarHBondContact O-N 3.04Å; V404-N407 PolarHBondContact O-N 3.12Å; V404-R408 PolarHBondContact O-N 3.18Å; V404-R408 VanDerWaalsContact O-N 3.11Å
405E79.9Confident78.5Confident124 Ų124127.9 Ų127.958%0.57960%0.597SS**Hα-helixtrans-69.1-41.1-179.1-161.9165.4-157.300112.3Q401 Y402 E403 R408 M409Q401-E405 PolarHBondContact O-N 3.25Å; Y402-E405 PolarHBondContact O-N 3.23Å; E403-E405 VanDerWaalsContact C-N 3.32Å; E403-E405 PolarHBondContact O-N 3.08Å; E405-R408 PolarHBondContact O-N 3.11Å; E405-M409 PolarHBondContact O-N 3.17Å
406L76.8Confident78.1Confident101 Ų101126.5 Ų126.553%0.52959%0.593SS.*Hα-helixtrans-60.1-44.9172.8-104.4157.1000112.1Y402 E403 R408 M409 R410Y402-L406 WeakPolarHBondContact O-CB 3.49Å; Y402-L406 PolarHBondContact O-N 3.47Å; E403-L406 PolarHBondContact O-N 3.37Å; L406-R408 VanDerWaalsContact C-N 3.34Å; L406-R408 PolarHBondContact O-N 3.45Å; L406-M409 PolarHBondContact O-N 3.47Å; L406-R410 WeakPolarHBondContact O-CB 3.42Å; L406-R410 PolarHBondContact O-N 3.02Å
407N76.3Confident78.2Confident99 Ų99125.5 Ų125.553%0.52959%0.589SS.*Hα-helixtrans-64.7-37.4178.9-91.9-19.7000112.8E403 V404 R410 K411E403-N407 PolarHBondContact O-N 3.21Å; V404-N407 PolarHBondContact O-N 3.12Å; N407-R410 PolarHBondContact O-N 3.47Å; N407-K411 PolarHBondContact O-N 3.17Å; N407-K411 VanDerWaalsContact O-N 3.12Å
408R82Confident78Confident198 Ų198124 Ų12475%0.74759%0.587SS**Hα-helixtrans-64.7-44.1175.4179.5-178.7150.4113.3-2.7111.8V404 E405 L406 K412V404-R408 PolarHBondContact O-N 3.18Å; V404-R408 VanDerWaalsContact O-N 3.11Å; E405-R408 PolarHBondContact O-N 3.11Å; L406-R408 VanDerWaalsContact C-N 3.34Å; L406-R408 PolarHBondContact O-N 3.45Å; R408-K412 PolarHBondContact O-N 3.45Å
409M74.1Confident77.9Confident127 Ų127123.7 Ų123.763%0.62659%0.587SS**Hα-helixtrans-65.7-38.6176.5-73.2-64.5-12700111.9E405 L406 K412 M413E405-M409 PolarHBondContact O-N 3.17Å; L406-M409 PolarHBondContact O-N 3.47Å; M409-K412 PolarHBondContact O-N 3.47Å; M409-M413 PolarHBondContact O-N 2.96Å; M409-M413 VanDerWaalsContact O-N 3.13Å
410R77.6Confident77.7Confident157 Ų157124.7 Ų124.759%0.59259%0.59SS**Hα-helixtrans-61.6-48.5177.9-140.3-176.5-66.1-116.35112L406 N407 K412 M413 E414L406-R410 WeakPolarHBondContact O-CB 3.42Å; L406-R410 PolarHBondContact O-N 3.02Å; N407-R410 PolarHBondContact O-N 3.47Å; R410-K412 VanDerWaalsContact C-N 3.3Å; R410-K412 PolarHBondContact O-N 3.45Å; R410-M413 PolarHBondContact O-N 3.13Å; R410-E414 PolarHBondContact O-N 3.48Å; R410-E414 VanDerWaalsContact O-N 3.12Å
411K77.4Confident77.6Confident160 Ų160122.9 Ų122.970%0.69658%0.584SS**Hα-helixtrans-60.3-36.1175.4-81-174.8174.5-179.10113.5N407 S415N407-K411 PolarHBondContact O-N 3.17Å; N407-K411 VanDerWaalsContact O-N 3.12Å; K411-S415 PolarHBondContact O-N 3Å; K411-S415 VanDerWaalsContact O-N 3.11Å
412K79.3Confident77.5Confident139 Ų139122.5 Ų122.560%0.60458%0.582SS**Hα-helixtrans-65.4-42.9178.4-160.885.5-178.2-178.70111.1R408 M409 R410 S415 L416R408-K412 PolarHBondContact O-N 3.45Å; M409-K412 PolarHBondContact O-N 3.47Å; R410-K412 VanDerWaalsContact C-N 3.3Å; R410-K412 PolarHBondContact O-N 3.45Å; K412-S415 PolarHBondContact O-N 3.44Å; K412-S415 PolarHBondContact O-OG 3.24Å; K412-L416 WeakPolarHBondContact O-CG 3.43Å; K412-L416 PolarHBondContact O-N 3.2Å; K412-L416 VanDerWaalsContact O-N 3.14Å
413M75.8Confident77.3Confident128 Ų128120.3 Ų120.363%0.63158%0.58SS**Hα-helixtrans-64.8-42.2178.8-158.7-179.2-63.700111.6M409 R410 L416 Q417M409-M413 PolarHBondContact O-N 2.96Å; M409-M413 VanDerWaalsContact O-N 3.13Å; R410-M413 PolarHBondContact O-N 3.13Å; M413-L416 PolarHBondContact O-N 3.34Å; M413-Q417 WeakPolarHBondContact O-CB 3.29Å; M413-Q417 PolarHBondContact O-N 3.35Å
414E77.7Confident77.1Confident135 Ų135116.9 Ų116.963%0.63157%0.573SS**Hα-helixtrans-61.9-43.9176.6-154.1167.5-147.400111.7R410 L416 Q417 D418R410-E414 PolarHBondContact O-N 3.48Å; R410-E414 VanDerWaalsContact O-N 3.12Å; E414-L416 PolarHBondContact O-N 3.46Å; E414-Q417 PolarHBondContact O-N 3.06Å; E414-D418 PolarHBondContact O-N 2.8Å; E414-D418 VanDerWaalsContact O-N 3.09Å
415S76.3Confident76.8Confident63 Ų63116.4 Ų116.444%0.44157%0.567SS.*Hα-helixtrans-63.8-40.7176.872.30000113.8K411 K412 Q417 E419K411-S415 PolarHBondContact O-N 3Å; K411-S415 VanDerWaalsContact O-N 3.11Å; K412-S415 PolarHBondContact O-N 3.44Å; K412-S415 PolarHBondContact O-OG 3.24Å; S415-Q417 VanDerWaalsContact C-N 3.29Å; S415-Q417 PolarHBondContact O-N 2.94Å; S415-E419 PolarHBondContact O-N 3.13Å; S415-E419 VanDerWaalsContact O-N 3.13Å
416L72.9Confident76.6Confident99 Ų99117.4 Ų117.452%0.51857%0.569SS.*Hα-helixtrans-69.3-30.9178.7-75.6170.1000111.6K412 M413 E414 N420K412-L416 WeakPolarHBondContact O-CG 3.43Å; K412-L416 PolarHBondContact O-N 3.2Å; K412-L416 VanDerWaalsContact O-N 3.14Å; M413-L416 PolarHBondContact O-N 3.34Å; E414-L416 PolarHBondContact O-N 3.46Å; L416-N420 PolarHBondContact O-N 3.12Å; L416-N420 VanDerWaalsContact O-N 3.16Å
417Q79.5Confident76.6Confident120 Ų120118 Ų11856%0.56157%0.572SS**Hα-helixtrans-73.1-40.9178.1-170.5144.3-17.300112.2M413 E414 S415 N420 N421M413-Q417 WeakPolarHBondContact O-CB 3.29Å; M413-Q417 PolarHBondContact O-N 3.35Å; E414-Q417 PolarHBondContact O-N 3.06Å; S415-Q417 VanDerWaalsContact C-N 3.29Å; S415-Q417 PolarHBondContact O-N 2.94Å; Q417-N420 PolarHBondContact O-N 3.25Å; Q417-N421 VanDerWaalsContact O-CG 3.31Å; Q417-N421 PolarHBondContact O-N 3.29Å; Q417-N421 PolarHBondContact O-ND2 3.12Å
418D75.9Confident76.6Confident98 Ų98118 Ų11852%0.52457%0.572SS.*Hα-helixtrans-64.1-39.7173.5-92.9-4.1000112.4E414 N420 N421 Q422E414-D418 PolarHBondContact O-N 2.8Å; E414-D418 VanDerWaalsContact O-N 3.09Å; D418-N420 VanDerWaalsContact C-N 3.31Å; D418-N420 PolarHBondContact O-N 3.42Å; D418-N421 PolarHBondContact O-N 3.11Å; D418-Q422 WeakPolarHBondContact O-CG 3.42Å; D418-Q422 PolarHBondContact O-N 3.13Å
419E78.1Confident76.3Confident123 Ų123117.1 Ų117.158%0.57557%0.569SS**Hα-helixtrans-60.1-41.6174.1-117.1177.4177.800111.9S415 Q422 L423S415-E419 PolarHBondContact O-N 3.13Å; S415-E419 VanDerWaalsContact O-N 3.13Å; E419-Q422 PolarHBondContact O-N 3.09Å; E419-L423 PolarHBondContact O-N 3.48Å; E419-L423 VanDerWaalsContact O-N 3.09Å
420N74.5Confident76.2Confident112 Ų112117.3 Ų117.360%0.59957%0.566SS**Hα-helixtrans-68.4-40.4179.3-127.1-11.4000112.1L416 Q417 D418 L423 A424L416-N420 PolarHBondContact O-N 3.12Å; L416-N420 VanDerWaalsContact O-N 3.16Å; Q417-N420 PolarHBondContact O-N 3.25Å; D418-N420 VanDerWaalsContact C-N 3.31Å; D418-N420 PolarHBondContact O-N 3.42Å; N420-L423 PolarHBondContact O-N 3.28Å; N420-A424 WeakPolarHBondContact O-CB 3.37Å; N420-A424 PolarHBondContact O-N 3.14Å
421N77.4Confident76.1Confident91 Ų91113.1 Ų113.149%0.48756%0.558SS.*Hα-helixtrans-64.5-41.4176.6-71.3-21.6000111.6Q417 D418 L423 A424 D425Q417-N421 VanDerWaalsContact O-CG 3.31Å; Q417-N421 PolarHBondContact O-N 3.29Å; Q417-N421 PolarHBondContact O-ND2 3.12Å; D418-N421 PolarHBondContact O-N 3.11Å; N421-L423 PolarHBondContact O-N 3.04Å; N421-A424 PolarHBondContact O-N 3.35Å; N421-D425 PolarHBondContact O-N 3.37Å
422Q76.2Confident75.8Confident128 Ų128110.4 Ų110.460%0.59855%0.551SS**Hα-helixtrans-65.3-37.6176.1-74.4-177.941.200113D418 E419 K426D418-Q422 WeakPolarHBondContact O-CG 3.42Å; D418-Q422 PolarHBondContact O-N 3.13Å; E419-Q422 PolarHBondContact O-N 3.09Å; Q422-K426 PolarHBondContact O-N 3.16Å; Q422-K426 VanDerWaalsContact O-N 3.07Å
423L74.9Confident75.6Confident99 Ų99108.7 Ų108.752%0.51855%0.545SS..Hα-helixtrans-67.3-42175.4-79.8167.4000111.6E419 N420 N421 D425 K426 I427E419-L423 PolarHBondContact O-N 3.48Å; E419-L423 VanDerWaalsContact O-N 3.09Å; N420-L423 PolarHBondContact O-N 3.28Å; N421-L423 PolarHBondContact O-N 3.04Å; L423-D425 VanDerWaalsContact C-N 3.34Å; L423-D425 PolarHBondContact O-N 3.07Å; L423-K426 PolarHBondContact O-N 3.09Å; L423-I427 WeakPolarHBondContact O-CG1 3.42Å; L423-I427 PolarHBondContact O-N 3.47Å
424A75.6Confident75.5Confident54 Ų54106.8 Ų106.845%0.44654%0.54SS..Hα-helixtrans-60.3-43.3174.800000111.8N420 N421 K426 I427 N428N420-A424 WeakPolarHBondContact O-CB 3.37Å; N420-A424 PolarHBondContact O-N 3.14Å; N421-A424 PolarHBondContact O-N 3.35Å; A424-K426 PolarHBondContact O-N 3.02Å; A424-I427 PolarHBondContact O-N 3.37Å; A424-N428 PolarHBondContact O-N 3.47Å
425D74.5Confident75.3Confident89 Ų89103.8 Ų103.848%0.47653%0.531SS..Hα-helixtrans-64.2-38.8176.4-91.5-1.6000113N421 L423 N428 R429N421-D425 PolarHBondContact O-N 3.37Å; L423-D425 VanDerWaalsContact C-N 3.34Å; L423-D425 PolarHBondContact O-N 3.07Å; D425-N428 PolarHBondContact O-N 3.49Å; D425-R429 WeakPolarHBondContact O-CG 3.43Å; D425-R429 PolarHBondContact O-N 3.36Å
426K76.2Confident75Confident145 Ų145106.9 Ų106.963%0.6354%0.539SS*.Hα-helixtrans-64.5-42.1174.8-91179.2177.8170.40112Q422 L423 A424 N428 K430Q422-K426 PolarHBondContact O-N 3.16Å; Q422-K426 VanDerWaalsContact O-N 3.07Å; L423-K426 PolarHBondContact O-N 3.09Å; A424-K426 PolarHBondContact O-N 3.02Å; K426-N428 VanDerWaalsContact C-N 3.35Å; K426-K430 PolarHBondContact O-N 3.02Å; K426-K430 VanDerWaalsContact O-N 3.13Å
427I77.5Confident74.7Confident113 Ų113108 Ų10858%0.57955%0.545SS*.Hα-helixtrans-61.2-47.4175.6-70.7170.9000109.3L423 A424 R429 K430 T431L423-I427 WeakPolarHBondContact O-CG1 3.42Å; L423-I427 PolarHBondContact O-N 3.47Å; A424-I427 PolarHBondContact O-N 3.37Å; I427-R429 PolarHBondContact O-N 3.01Å; I427-K430 PolarHBondContact O-N 3.3Å; I427-T431 WeakPolarHBondContact O-CB 3.49Å; I427-T431 PolarHBondContact O-N 3.29Å; I427-T431 PolarHBondContact O-OG1 3.44Å
428N74.9Confident74.4Confident100 Ų100105.4 Ų105.454%0.53554%0.537SS..Hα-helixtrans-62.3-41-178.1-123.213.3000112.9A424 D425 K426 T431 N432A424-N428 PolarHBondContact O-N 3.47Å; D425-N428 PolarHBondContact O-N 3.49Å; K426-N428 VanDerWaalsContact C-N 3.35Å; N428-T431 PolarHBondContact O-N 3.48Å; N428-N432 PolarHBondContact O-N 3.41Å
429R75.9Confident74.1Confident179 Ų179107.2 Ų107.268%0.67554%0.54SS*.Hα-helixtrans-63.1-43.3175.4-69.8-179.9-150.2-174.16.3112D425 I427 N432 E433D425-R429 WeakPolarHBondContact O-CG 3.43Å; D425-R429 PolarHBondContact O-N 3.36Å; I427-R429 PolarHBondContact O-N 3.01Å; R429-N432 PolarHBondContact O-N 2.96Å; R429-E433 PolarHBondContact O-N 3.29Å; R429-E433 VanDerWaalsContact O-N 3.11Å
430K71.4Confident74Confident132 Ų132104.8 Ų104.857%0.57454%0.537SS*.Hα-helixtrans-69-36.8178.6-75.4-72.7166.1-159.90112.4K426 I427 E433 V434K426-K430 PolarHBondContact O-N 3.02Å; K426-K430 VanDerWaalsContact O-N 3.13Å; I427-K430 PolarHBondContact O-N 3.3Å; K430-E433 WeakPolarHBondContact CD-OE2 3.38Å; K430-E433 IonicContact NZ-OE2 2.69Å; K430-E433 PolarHBondContact NZ-OE2 2.69Å; K430-E433 WeakPolarHBondContact O-CB 3.4Å; K430-E433 PolarHBondContact O-N 2.95Å; K430-V434 WeakPolarHBondContact O-CG2 3.48Å; K430-V434 PolarHBondContact O-N 3.44Å
431T76.3Confident73.7Confident68 Ų68104 Ų10442%0.41753%0.532SS..Hα-helixtrans-62.7-43.7174.3-57.40000111.5I427 N428 E433 V434 V435I427-T431 WeakPolarHBondContact O-CB 3.49Å; I427-T431 PolarHBondContact O-N 3.29Å; I427-T431 PolarHBondContact O-OG1 3.44Å; N428-T431 PolarHBondContact O-N 3.48Å; T431-E433 VanDerWaalsContact C-N 3.32Å; T431-E433 PolarHBondContact O-N 3.36Å; T431-V434 PolarHBondContact O-N 2.85Å; T431-V435 WeakPolarHBondContact O-CG2 3.47Å; T431-V435 PolarHBondContact O-N 3.05Å
432N71.6Confident73.3Confident103 Ų103103.8 Ų103.855%0.55153%0.531SS*.Hα-helixtrans-64.7-36.9176.4-75.9-10.5000112.4N428 R429 V434 V435 E436N428-N432 PolarHBondContact O-N 3.41Å; R429-N432 PolarHBondContact O-N 2.96Å; N432-V434 VanDerWaalsContact C-N 3.32Å; N432-V434 PolarHBondContact O-N 3.4Å; N432-V435 PolarHBondContact O-N 3Å; N432-E436 PolarHBondContact O-N 3.48Å
433E74.3Confident72.8Confident103 Ų103102.9 Ų102.948%0.48153%0.53SS..Hα-helixtrans-62.6-39.7174.7-136.3173.4-160.500111.7R429 K430 T431 L437R429-E433 PolarHBondContact O-N 3.29Å; R429-E433 VanDerWaalsContact O-N 3.11Å; K430-E433 WeakPolarHBondContact CD-OE2 3.38Å; K430-E433 IonicContact NZ-OE2 2.69Å; K430-E433 PolarHBondContact NZ-OE2 2.69Å; K430-E433 WeakPolarHBondContact O-CB 3.4Å; K430-E433 PolarHBondContact O-N 2.95Å; T431-E433 VanDerWaalsContact C-N 3.32Å; T431-E433 PolarHBondContact O-N 3.36Å; E433-L437 WeakPolarHBondContact O-CB 3.45Å; E433-L437 WeakPolarHBondContact O-CG 3.38Å; E433-L437 PolarHBondContact O-N 3.38Å
434V73.2Confident72.5Confident88 Ų88101.9 Ų101.953%0.53353%0.528SS..Hα-helixtrans-68.4-40175.41730000111.3K430 T431 N432 L437 T438K430-V434 WeakPolarHBondContact O-CG2 3.48Å; K430-V434 PolarHBondContact O-N 3.44Å; T431-V434 PolarHBondContact O-N 2.85Å; N432-V434 VanDerWaalsContact C-N 3.32Å; N432-V434 PolarHBondContact O-N 3.4Å; V434-L437 PolarHBondContact O-N 3.04Å; V434-T438 WeakPolarHBondContact O-CB 3.41Å; V434-T438 PolarHBondContact O-N 3Å; V434-T438 PolarHBondContact O-OG1 3.48Å
435V75Confident72.1Confident72 Ų72105.1 Ų105.144%0.43653%0.532SS..Hα-helixtrans-64-44.3178.1170.90000111.4T431 N432 T438 K439T431-V435 WeakPolarHBondContact O-CG2 3.47Å; T431-V435 PolarHBondContact O-N 3.05Å; N432-V435 PolarHBondContact O-N 3Å; V435-T438 PolarHBondContact O-N 3.3Å; V435-K439 PolarHBondContact O-N 3.19Å
436E70.2Confident71.9Confident129 Ų129103.6 Ų103.660%0.60353%0.532SS*.Hα-helixtrans-65.4-43.2177.2-80.3-70.4127.600112N432 T438 K439 S440N432-E436 PolarHBondContact O-N 3.48Å; E436-T438 VanDerWaalsContact C-N 3.32Å; E436-T438 PolarHBondContact O-N 3.13Å; E436-K439 PolarHBondContact O-N 3.11Å; E436-S440 WeakPolarHBondContact O-CB 3.32Å; E436-S440 PolarHBondContact O-N 3.45Å
437L65Low71.3Confident122 Ų122102.5 Ų102.564%0.63953%0.529SS*.Hα-helixtrans-65.5-35.7175.7-75.2170.4000112.4E433 V434 S440 L441E433-L437 WeakPolarHBondContact O-CB 3.45Å; E433-L437 WeakPolarHBondContact O-CG 3.38Å; E433-L437 PolarHBondContact O-N 3.38Å; V434-L437 PolarHBondContact O-N 3.04Å; L437-S440 PolarHBondContact O-N 3.31Å; L437-L441 WeakPolarHBondContact O-CB 3.45Å; L437-L441 PolarHBondContact O-N 2.92Å
438T73.4Confident70.5Confident66 Ų66101.9 Ų101.941%0.40553%0.526SS..Hα-helixtrans-69.4-43.9177.7-52.20000110.6V434 V435 E436 S440 L441 D442V434-T438 WeakPolarHBondContact O-CB 3.41Å; V434-T438 PolarHBondContact O-N 3Å; V434-T438 PolarHBondContact O-OG1 3.48Å; V435-T438 PolarHBondContact O-N 3.3Å; E436-T438 VanDerWaalsContact C-N 3.32Å; E436-T438 PolarHBondContact O-N 3.13Å; T438-S440 PolarHBondContact O-N 2.96Å; T438-L441 PolarHBondContact O-N 3.06Å; T438-L441 VanDerWaalsContact O-N 3.17Å; T438-D442 PolarHBondContact O-N 3.45Å
439K69.3Low70Confident136 Ų136102.9 Ų102.959%0.59153%0.528SS*.Hα-helixtrans-60.7-44172.8-92.2-177.5172.11790112.4V435 E436 L441 D442 D443V435-K439 PolarHBondContact O-N 3.19Å; E436-K439 PolarHBondContact O-N 3.11Å; K439-L441 PolarHBondContact O-N 3.23Å; K439-D442 PolarHBondContact O-N 3.05Å; K439-D443 WeakPolarHBondContact O-CB 3.36Å; K439-D443 PolarHBondContact O-N 3.44Å
440S76Confident69.5Low72 Ų7295.9 Ų95.950%0.50351%0.512SS..Hα-helixtrans-64.2-31.7176.6-175.40000112.3E436 L437 T438 V444E436-S440 WeakPolarHBondContact O-CB 3.32Å; E436-S440 PolarHBondContact O-N 3.45Å; L437-S440 PolarHBondContact O-N 3.31Å; T438-S440 PolarHBondContact O-N 2.96Å; S440-V444 VanDerWaalsContact O-CG2 3.27Å; S440-V444 WeakPolarHBondContact O-CG2 3.47Å; S440-V444 PolarHBondContact O-N 3.47Å
441L69.3Low69.1Low96 Ų9696 Ų9650%0.50351%0.512SS..Hα-helixtrans-74.5-39.1177-165.373.2000111.7L437 T438 K439 V444 K445L437-L441 WeakPolarHBondContact O-CB 3.45Å; L437-L441 PolarHBondContact O-N 2.92Å; T438-L441 PolarHBondContact O-N 3.06Å; T438-L441 VanDerWaalsContact O-N 3.17Å; K439-L441 PolarHBondContact O-N 3.23Å; L441-V444 PolarHBondContact O-N 2.63Å; L441-K445 WeakPolarHBondContact O-CB 3.41Å; L441-K445 WeakPolarHBondContact O-CG 3.34Å; L441-K445 PolarHBondContact O-N 2.89Å
442D68.4Low68.7Low86 Ų8698.7 Ų98.746%0.4652%0.52SS..Hα-helixtrans-69.8-36.3177.1-71.7-21.2000111.6T438 K439 K445 A446T438-D442 PolarHBondContact O-N 3.45Å; K439-D442 PolarHBondContact O-N 3.05Å; D442-K445 PolarHBondContact O-N 2.89Å; D442-A446 VanDerWaalsContact O-CB 3.26Å; D442-A446 WeakPolarHBondContact O-CB 3.32Å; D442-A446 PolarHBondContact O-N 2.96Å
443D66.6Low68.2Low109 Ų109100.6 Ų100.658%0.58352%0.523SS*.Hα-helixtrans-64.9-39.7172.8-97.1-6.2000112.3K439 Q447K439-D443 WeakPolarHBondContact O-CB 3.36Å; K439-D443 PolarHBondContact O-N 3.44Å; D443-Q447 WeakPolarHBondContact O-CB 3.27Å; D443-Q447 VanDerWaalsContact O-CG 3.29Å; D443-Q447 WeakPolarHBondContact O-CG 3.5Å; D443-Q447 PolarHBondContact O-N 3.42Å
444V68.4Low67.5Low77 Ų77100.6 Ų100.647%0.46753%0.525SS..Hα-helixtrans-69.7-38.2176.3172.20000111.2S440 L441 L448S440-V444 VanDerWaalsContact O-CG2 3.27Å; S440-V444 WeakPolarHBondContact O-CG2 3.47Å; S440-V444 PolarHBondContact O-N 3.47Å; L441-V444 PolarHBondContact O-N 2.63Å; V444-L448 HydrophobicContact CG1-CD1 4.24Å; V444-L448 WeakPolarHBondContact O-CB 3.42Å; V444-L448 PolarHBondContact O-N 3.36Å
445K67.9Low66.2Low123 Ų123101.5 Ų101.554%0.53553%0.526SS..Hα-helixtrans-67.1-43.4175.1-80.2178177.9174.40112.3L441 D442 Q447 L448 E449L441-K445 WeakPolarHBondContact O-CB 3.41Å; L441-K445 WeakPolarHBondContact O-CG 3.34Å; L441-K445 PolarHBondContact O-N 2.89Å; D442-K445 PolarHBondContact O-N 2.89Å; K445-Q447 VanDerWaalsContact C-N 3.34Å; K445-Q447 PolarHBondContact O-N 3.49Å; K445-L448 WeakPolarHBondContact O-CB 3.48Å; K445-L448 PolarHBondContact O-N 3.3Å; K445-L448 VanDerWaalsContact O-N 3.13Å; K445-E449 PolarHBondContact O-N 2.96Å
446A68.4Low64.8Low57 Ų57102.6 Ų102.647%0.47154%0.536SS..Hα-helixtrans-64.6-38.4176.800000111.7D442 L448 E449 G450D442-A446 VanDerWaalsContact O-CB 3.26Å; D442-A446 WeakPolarHBondContact O-CB 3.32Å; D442-A446 PolarHBondContact O-N 2.96Å; A446-L448 VanDerWaalsContact C-N 3.31Å; A446-L448 PolarHBondContact O-N 3.36Å; A446-E449 PolarHBondContact O-N 2.94Å; A446-G450 PolarHBondContact O-N 3.24Å
447Q65Low64.1Low121 Ų121104.1 Ų104.157%0.56554%0.538SS*.Hα-helixtrans-65.3-33.8172.1-76.9-176.220.800112.8D443 K445 G450 K451D443-Q447 WeakPolarHBondContact O-CB 3.27Å; D443-Q447 VanDerWaalsContact O-CG 3.29Å; D443-Q447 WeakPolarHBondContact O-CG 3.5Å; D443-Q447 PolarHBondContact O-N 3.42Å; K445-Q447 VanDerWaalsContact C-N 3.34Å; K445-Q447 PolarHBondContact O-N 3.49Å; Q447-G450 PolarHBondContact O-N 3.49Å; Q447-K451 WeakPolarHBondContact O-CG 3.39Å; Q447-K451 PolarHBondContact O-N 2.91Å
448L60.7Low63.4Low100 Ų100103.9 Ų103.952%0.52454%0.536SS..Hα-helixtrans-68.9-47174.8-110.9136.1000111.5V444 K445 A446 G450 K451 E452V444-L448 HydrophobicContact CG1-CD1 4.24Å; V444-L448 WeakPolarHBondContact O-CB 3.42Å; V444-L448 PolarHBondContact O-N 3.36Å; K445-L448 WeakPolarHBondContact O-CB 3.48Å; K445-L448 PolarHBondContact O-N 3.3Å; K445-L448 VanDerWaalsContact O-N 3.13Å; A446-L448 VanDerWaalsContact C-N 3.31Å; A446-L448 PolarHBondContact O-N 3.36Å; L448-G450 PolarHBondContact O-N 2.91Å; L448-K451 PolarHBondContact O-N 3.02Å; L448-K451 VanDerWaalsContact O-N 3.15Å; L448-E452 WeakPolarHBondContact O-CB 3.29Å; L448-E452 PolarHBondContact O-N 2.82Å
449E64.2Low62.4Low121 Ų121107.4 Ų107.457%0.56555%0.553SS**Hα-helixtrans-59-37.6173.2-77.1-167.4172.700112.1K445 A446 K453K445-E449 PolarHBondContact O-N 2.96Å; A446-E449 PolarHBondContact O-N 2.94Å; E449-K453 WeakPolarHBondContact O-CB 3.33Å; E449-K453 VanDerWaalsContact O-CG 3.28Å; E449-K453 WeakPolarHBondContact O-CG 3.4Å; E449-K453 PolarHBondContact O-N 3.48Å
450G64.5Low61.4Low33 Ų33108.8 Ų108.834%0.3456%0.559SS.*Hα-helixtrans-63.1-46174.800000112.4A446 Q447 L448 I454A446-G450 PolarHBondContact O-N 3.24Å; Q447-G450 PolarHBondContact O-N 3.49Å; L448-G450 PolarHBondContact O-N 2.91Å; G450-I454 WeakPolarHBondContact O-CD1 3.48Å; G450-I454 VanDerWaalsContact O-CG1 3.3Å; G450-I454 WeakPolarHBondContact O-CG1 3.39Å; G450-I454 PolarHBondContact O-N 3.17Å; G450-I454 VanDerWaalsContact O-N 3.16Å
451K63.7Low59.9Low135 Ų135108.6 Ų108.659%0.58756%0.557SS**Hα-helixtrans-69.3-34.6177.9-74.1177.2179.5174.90112.5Q447 L448 I454 I455Q447-K451 WeakPolarHBondContact O-CG 3.39Å; Q447-K451 PolarHBondContact O-N 2.91Å; L448-K451 PolarHBondContact O-N 3.02Å; L448-K451 VanDerWaalsContact O-N 3.15Å; K451-I454 WeakPolarHBondContact O-CB 3.26Å; K451-I454 PolarHBondContact O-N 3.43Å; K451-I455 VanDerWaalsContact O-CG1 3.32Å; K451-I455 WeakPolarHBondContact O-CG1 3.46Å; K451-I455 PolarHBondContact O-N 2.97Å
452E67.2Low58.8Low123 Ų123112.1 Ų112.158%0.57557%0.573SS**Hα-helixtrans-73.5-34.4179.9-155.2145.5-150.300111.8L448 I454 I455 C456L448-E452 WeakPolarHBondContact O-CB 3.29Å; L448-E452 PolarHBondContact O-N 2.82Å; E452-I454 VanDerWaalsContact C-N 3.32Å; E452-I454 PolarHBondContact O-N 3.13Å; E452-I455 WeakPolarHBondContact O-CB 3.32Å; E452-I455 PolarHBondContact O-N 3.49Å; E452-C456 PolarHBondContact O-N 3.36Å
453K61.7Low57.5Low143 Ų143117.1 Ų117.162%0.62259%0.591SS**Hα-helixtrans-64.6-34.4168-74.3171.8-175.3167.10112.5E449 I455 C456 Y457E449-K453 WeakPolarHBondContact O-CB 3.33Å; E449-K453 VanDerWaalsContact O-CG 3.28Å; E449-K453 WeakPolarHBondContact O-CG 3.4Å; E449-K453 PolarHBondContact O-N 3.48Å; K453-I455 VanDerWaalsContact C-N 3.34Å; K453-C456 WeakPolarHBondContact O-CB 3.42Å; K453-C456 PolarHBondContact O-N 2.92Å; K453-Y457 PolarHBondContact O-N 3.46Å; K453-Y457 VanDerWaalsContact O-N 3.16Å
454I60.3Low55.8Low103 Ų103117.7 Ų117.753%0.52860%0.602SS.*Hα-helixtrans-66.7-36.7172.6-68.4163.8000111G450 K451 E452 Y457 L458G450-I454 WeakPolarHBondContact O-CD1 3.48Å; G450-I454 VanDerWaalsContact O-CG1 3.3Å; G450-I454 WeakPolarHBondContact O-CG1 3.39Å; G450-I454 PolarHBondContact O-N 3.17Å; G450-I454 VanDerWaalsContact O-N 3.16Å; K451-I454 WeakPolarHBondContact O-CB 3.26Å; K451-I454 PolarHBondContact O-N 3.43Å; E452-I454 VanDerWaalsContact C-N 3.32Å; E452-I454 PolarHBondContact O-N 3.13Å; I454-Y457 PolarHBondContact O-N 2.89Å; I454-Y457 VanDerWaalsContact O-N 3.13Å; I454-L458 HydrophobicContact CG2-CD1 4.2Å; I454-L458 PolarHBondContact O-N 3Å; I454-L458 VanDerWaalsContact O-N 3.15Å
455I46.1Very low54.5Low107 Ų107122.3 Ų122.355%0.54962%0.619SS.*Hα-helixtrans-66.6-36.9174.8-66.9165.4000111.2K451 E452 K453 Y457K451-I455 VanDerWaalsContact O-CG1 3.32Å; K451-I455 WeakPolarHBondContact O-CG1 3.46Å; K451-I455 PolarHBondContact O-N 2.97Å; E452-I455 WeakPolarHBondContact O-CB 3.32Å; E452-I455 PolarHBondContact O-N 3.49Å; K453-I455 VanDerWaalsContact C-N 3.34Å; I455-Y457 VanDerWaalsContact C-N 3.3Å; I455-Y457 PolarHBondContact O-N 3.48Å
456C45.3Very low53.4Low96 Ų96124.4 Ų124.465%0.64963%0.63SS**Hα-helixtrans-61.6-33.1169.4-93.40000113.6E452 K453E452-C456 PolarHBondContact O-N 3.36Å; K453-C456 WeakPolarHBondContact O-CB 3.42Å; K453-C456 PolarHBondContact O-N 2.92Å
457Y53.8Low52.2Low161 Ų161126.6 Ų126.663%0.63164%0.64SS**Hα-helixtrans-82.1-41.7-173.9-159.7-97.6000112.9K453 I454 I455 N459 K460 S461K453-Y457 PolarHBondContact O-N 3.46Å; K453-Y457 VanDerWaalsContact O-N 3.16Å; I454-Y457 PolarHBondContact O-N 2.89Å; I454-Y457 VanDerWaalsContact O-N 3.13Å; I455-Y457 VanDerWaalsContact C-N 3.3Å; I455-Y457 PolarHBondContact O-N 3.48Å; Y457-N459 VanDerWaalsContact C-N 3.29Å; Y457-N459 PolarHBondContact O-N 3.22Å; Y457-K460 PolarHBondContact O-N 2.85Å; Y457-S461 PolarHBondContact O-N 3.15Å; Y457-S461 VanDerWaalsContact O-N 3.1Å; Y457-S461 PolarHBondContact O-OG 3.31Å
458L50.3Low50.3Low116 Ų116128 Ų12861%0.60765%0.648SS**Hα-helixtrans-60.9-37.4177.2-84156.3000112.4I454 K460 S461I454-L458 HydrophobicContact CG2-CD1 4.2Å; I454-L458 PolarHBondContact O-N 3Å; I454-L458 VanDerWaalsContact O-N 3.15Å; L458-K460 PolarHBondContact O-N 3Å; L458-S461 PolarHBondContact O-N 3.16Å
459N53Low48.9Very low140 Ų140130.4 Ų130.475%0.74966%0.657SS**Hα-helixtrans-71.7-16.6177.6-95.9-12.1000114Y457Y457-N459 VanDerWaalsContact C-N 3.29Å; Y457-N459 PolarHBondContact O-N 3.22Å
460K49.5Very low47.4Very low166 Ų166129.3 Ų129.372%0.72266%0.658SS**Hα-helixtrans-87.4-36.3173-126.8174.2-177178.20111.9Y457 L458 M462 K463Y457-K460 PolarHBondContact O-N 2.85Å; L458-K460 PolarHBondContact O-N 3Å; K460-M462 VanDerWaalsContact C-N 3.26Å; K460-M462 PolarHBondContact O-N 2.99Å; K460-K463 PolarHBondContact O-N 2.97Å; K460-K463 VanDerWaalsContact O-N 3.15Å
461S42.6Very low46Very low68 Ų68134.3 Ų134.348%0.47668%0.677SS.*Hα-helixtrans-74.8-8.9-174.9-60.60000115.1Y457 L458 K463Y457-S461 PolarHBondContact O-N 3.15Å; Y457-S461 VanDerWaalsContact O-N 3.1Å; Y457-S461 PolarHBondContact O-OG 3.31Å; L458-S461 PolarHBondContact O-N 3.16Å; S461-K463 VanDerWaalsContact C-N 3.29Å
462M47.7Very low44.7Very low169 Ų169133.9 Ų133.983%0.83368%0.681SS**THydrogen-bonded Turntrans-80.5-2.3168.4-78.8-87.6-73.800113.7K460K460-M462 VanDerWaalsContact C-N 3.26Å; K460-M462 PolarHBondContact O-N 2.99Å
463K41.1Very low42.8Very low191 Ų191133.8 Ų133.883%0.8369%0.689SS**THydrogen-bonded Turntrans-136.1-1.8179.3-107.2178.3-173.5178.10120.4K460 S461K460-K463 PolarHBondContact O-N 2.97Å; K460-K463 VanDerWaalsContact O-N 3.15Å; S461-K463 VanDerWaalsContact C-N 3.29Å
464C30.6Very low41.4Very low122 Ų122135.6 Ų135.682%0.82470%0.702SS**  trans-177.2161.8156.8-100.40000113.4
465Q40.2Very low40.2Very low173 Ų173136 Ų13681%0.80871%0.711SS**  trans-83.6160.2-164.9-90.5171-2000118.4
466Q44.4Very low39.7Very low167 Ų167136.7 Ų136.778%0.7872%0.724SS**  trans91.6158147.2-59.2-115.4-3.100121.2
467P44.9Very low39Very low103 Ų103139.8 Ų139.867%0.66973%0.734SS**  -128.8-177.5-99.135.8-12.2000118.6
468M24.3Very low37.9Very low150 Ų150139.5 Ų139.574%0.73974%0.742SS**  trans100.4139.4154.5-76.1-75.3-90.200123.7
469Q31.8Very low37.2Very low152 Ų152140.3 Ų140.371%0.7175%0.752SS**  trans73.3152.2144.7-82.3176.3-3.700119.7
470T32.8Very low36.2Very low97 Ų97143.5 Ų143.560%0.59576%0.755SS**  cis173.6170.7-14.1270000105.6
471L34.1Very low35.7Very low139 Ų139144.6 Ų144.673%0.72876%0.759SS**  trans69.9159.6151.3-72.6148.9000112.7
472D37.2Very low35.4Very low125 Ų125146.3 Ų146.367%0.66877%0.769SS**  cis-179.7164.310.5-108.8-27.2000101.5
473T26.8Very low34.8Very low121 Ų121145.2 Ų145.274%0.74277%0.771SS**  cis-177.2146.1-17.9-91.10000105.2
474M32.2Very low34.7Very low182 Ų182143.9 Ų143.990%0.89777%0.772SS**  trans-95.1150.4-164.8-84.5-84.8179.200115.8
475P35.9Very low34.7Very low111 Ų111148.4 Ų148.472%0.72177%0.772SS**  trans-129.8172.817239.4-25000118.5
476C35Very low34.2Very low121 Ų121146.7 Ų146.782%0.81877%0.773SS**  trans89.7113.6146.1-74.70000127.3
477D30.9Very low33.5Very low161 Ų161142.7 Ų142.786%0.86177%0.769SS**  62.6136.2124.2-90-32.2000128.4
478I30.3Very low32.9Very low156 Ų156143 Ų14380%0.877%0.773SS**  trans-132141-172.3-65.5160.4000108.3
479T35.5Very low33.3Very low133 Ų133141.1 Ų141.182%0.81677%0.77SS**  trans176.1127.3144.6-74.10000111.8
480Y33.1Very low33.2Very low206 Ų206141.7 Ų141.781%0.80877%0.773SS**  trans-170.5145.9141.9-153.2-108.1000114.1P482Y480-P482 HydrophobicContact CE1-CG 3.86Å
481K37.5Very low33.3Very low190 Ų190144.5 Ų144.583%0.82679%0.785SS**  trans-143.1143.6170.7-85.9-174.9176.1178.40108.8
482P37.7Very low33.1Very low103 Ų103141 Ų14167%0.66978%0.781SS**  -149.9142.5124.731.7-12000116Y480Y480-P482 HydrophobicContact CE1-CG 3.86Å
483V34.1Very low32.7Very low147 Ų147140 Ų14089%0.89179%0.785SS**  trans-148.4128.4161.1173.50000107.8
484L38.8Very low32.9Very low162 Ų162142.1 Ų142.185%0.84879%0.786SS**  trans-139.1106.9172.5-88.3158.5000106.9
485R31.7Very low33.1Very low218 Ų218140 Ų14082%0.82378%0.783SS**  71.2107.885.8-157.8-176.1-126.4162.61.2112.5
486V28.5Very low32.8Very low137 Ų137137.9 Ų137.983%0.8378%0.782SS**  77.1118.755.5178.90000115.6
487A30.4Very low32.6Very low83 Ų83143.3 Ų143.369%0.68679%0.785SS**  trans94.8145.5144.100000123.6
488S32.3Very low32.9Very low109 Ų109143.4 Ų143.476%0.76278%0.784SS**  trans74.4152.6150.9-41.80000117.4
489T33.1Very low32.8Very low111 Ų111139 Ų13968%0.68178%0.776SS**  cis-167.8134.231.616.60000106.7
490E29.4Very low32.9Very low164 Ų164141 Ų14177%0.76678%0.781SS**  67.8125.489.7-69.8-175.4163.100117.1
491N34.4Very low32.8Very low156 Ų156136.8 Ų136.883%0.83478%0.777SS**  140.5127.7128.5-76.7-29000117.1
492G29.7Very low32.7Very low64 Ų64136.2 Ų136.266%0.6678%0.78SS**  trans85.8107.814700000115.8
493S29.1Very low32.5Very low106 Ų106135.4 Ų135.474%0.74178%0.782SS**  cis47.1112.23881.70000113.9
494E31.7Very low32.7Very low165 Ų165133.5 Ų133.577%0.77178%0.781SS**  169.8137.3116.1-96.8-177.5175.200113.7
495T35.1Very low32.6Very low137 Ų137133.6 Ų133.684%0.8478%0.782SS**  trans71.7139.6144.865.20000118.2
496G30.5Very low32.9Very low66 Ų66126.7 Ų126.768%0.6878%0.779SS**  cis176.11276.800000104
497R29.8Very low33.5Very low236 Ų236125 Ų12589%0.89177%0.773SS**  75138.786.7-140.8-177.3-164.8-159.94113.3
498I37.3Very low34Very low163 Ų163127.1 Ų127.184%0.83678%0.782SS**  trans89.2114.2165.9-44.8158.3000112.5
499G29.3Very low34.7Very low62 Ų62126.2 Ų126.264%0.63978%0.775SS**  cis113.196.323.300000108.8
500L37Very low35.3Very low177 Ų177130.6 Ų130.693%0.92779%0.785SS**  trans-139.2108.8150.2-88.9176.4000109.2
501T31.1Very low36.3Very low117 Ų117130.1 Ų130.172%0.71879%0.787SS**  trans-70.6167.4164.138.30000112.2
502M34.8Very low37.5Very low178 Ų178126.1 Ų126.188%0.87777%0.765SS**  trans85.7134.7159.9-46.8-60.3-100.200115
503A34.3Very low39Very low86 Ų86127.2 Ų127.271%0.71176%0.761SS**  cis-164.2131.8-14.300000104.1D505A503-D505 PolarHBondContact O-N 3.42Å
504A38.3Very low40.4Very low106 Ų106129.4 Ų129.488%0.87676%0.757SS**  trans-74.4108166.600000107.3
505D35.9Very low41.9Very low165 Ų165131.2 Ų131.288%0.88276%0.758SS**  trans-95.694.3161.3-129.2-4.3000107.4A503 S507A503-D505 PolarHBondContact O-N 3.42Å; D505-S507 PolarHBondContact O-N 3.13Å; D505-S507 VanDerWaalsContact O-N 3.1Å
506G38.7Very low42.9Very low72 Ų72131.8 Ų131.874%0.74276%0.755SS**  trans-73.689.7170.200000109.5C508G506-C508 PolarHBondContact O-N 3.16Å
507S41.8Very low43.9Very low103 Ų103133.8 Ų133.872%0.7275%0.754SS**  trans-87.172.5154.8165.70000108.3D505 S509D505-S507 PolarHBondContact O-N 3.13Å; D505-S507 VanDerWaalsContact O-N 3.1Å; S507-S509 PolarHBondContact O-N 3.19Å; S507-S509 VanDerWaalsContact O-N 3.12Å
508C40.4Very low45Very low127 Ų127127.7 Ų127.786%0.85875%0.745SS**  trans-83.167.4171-149.90000108.9G506 K510G506-C508 PolarHBondContact O-N 3.16Å; C508-K510 PolarHBondContact O-N 3.15Å
509S46.9Very low45.3Very low90 Ų90127.8 Ų127.863%0.62975%0.747SS**  trans-83.393.8166.840.10000108.4S507 L511S507-S509 PolarHBondContact O-N 3.19Å; S507-S509 VanDerWaalsContact O-N 3.12Å; S509-L511 PolarHBondContact O-N 3.48Å
510K45.1Very low45.7Very low202 Ų202131.9 Ų131.988%0.87875%0.754SS**  trans-4895166.1-164.2170.6-172.6175.40109.7C508C508-K510 PolarHBondContact O-N 3.15Å
511L51.3Low46Very low154 Ų154131.2 Ų131.281%0.80675%0.75SS**  trans-74.3124.1167-77.1169.8000108.3S509S509-L511 PolarHBondContact O-N 3.48Å
512D59.3Low46.8Very low72 Ų72131 Ų13139%0.38575%0.751SS.*  trans-66.8128.5-168.8-156.7-40.1000111.6K514 Y515D512-K514 HydrophobicContact CB-CG 4.02Å; D512-K514 PolarHBondContact O-N 3.1Å; D512-K514 VanDerWaalsContact OD1-CE 3.23Å; D512-K514 WeakPolarHBondContact OD1-CE 3.28Å; D512-K514 WeakPolarHBondContact OD1-CG 3.3Å; D512-K514 WeakPolarHBondContact OD2-CE 3.4Å; D512-K514 IonicContact OD2-NZ 3.89Å; D512-K514 PolarHBondContact OD2-NZ 3.33Å; D512-Y515 PolarHBondContact O-N 3.33Å
513P60.7Low47.1Very low88 Ų88129.8 Ų129.857%0.57175%0.747SS**G310 helixtrans-55.6-11.8-177.8-27.334.6000116.3Y515 L516P513-Y515 PolarHBondContact O-N 3.34Å; P513-L516 PolarHBondContact O-N 3.36Å
514K59.2Low47.4Very low152 Ų152131.8 Ų131.866%0.66175%0.753SS**G310 helixtrans-62.5-17.7174.612.7177.2179.2-176.70114.1D512D512-K514 HydrophobicContact CB-CG 4.02Å; D512-K514 PolarHBondContact O-N 3.1Å; D512-K514 VanDerWaalsContact OD1-CE 3.23Å; D512-K514 WeakPolarHBondContact OD1-CE 3.28Å; D512-K514 WeakPolarHBondContact OD1-CG 3.3Å; D512-K514 WeakPolarHBondContact OD2-CE 3.4Å; D512-K514 IonicContact OD2-NZ 3.89Å; D512-K514 PolarHBondContact OD2-NZ 3.33Å
515Y64.1Low47.2Very low202 Ų202131.2 Ų131.279%0.79274%0.742SS**G310 helixtrans-89.5-2.5173.2-61.3-71.1000113.9D512 P513D512-Y515 PolarHBondContact O-N 3.33Å; P513-Y515 PolarHBondContact O-N 3.34Å
516L55.4Low47.3Very low149 Ų149130.4 Ų130.478%0.7874%0.738SS**SBendtrans-107.24.9-177.2-81.5159.8000114.1P513P513-L516 PolarHBondContact O-N 3.36Å
517V52.3Low47Very low109 Ų109133.9 Ų133.966%0.66174%0.739SS**SBendtrans-114.7121.6174.7-174.80000110N519V517-N519 PolarHBondContact O-N 3.28Å; V517-N519 VanDerWaalsContact O-N 3.15Å
518P51.4Low46.8Very low108 Ų108136.9 Ų136.970%0.70174%0.741SS**  trans-56.4118.5172-22.232.4000109.7L520P518-L520 VanDerWaalsContact C-N 3.31Å; P518-L520 PolarHBondContact O-N 3.06Å
519N43.2Very low46.5Very low164 Ų164140.7 Ų140.788%0.87774%0.743SS**  trans-71.193.5173.1-145.78.9000107.6V517V517-N519 PolarHBondContact O-N 3.28Å; V517-N519 VanDerWaalsContact O-N 3.15Å
520L39.5Very low46Very low148 Ų148140.5 Ų140.578%0.77575%0.747SS**PPolyproline II helixtrans-61.4134.8168.5-71.8162.2000108.7P518P518-L520 VanDerWaalsContact C-N 3.31Å; P518-L520 PolarHBondContact O-N 3.06Å
521L43Very low45.6Very low164 Ų164138 Ų13886%0.85974%0.743SS**PPolyproline II helixtrans-99.4130.9148.9-104.2111.2000109
522P47.9Very low44.8Very low111 Ų111138.7 Ų138.772%0.72174%0.743SS**PPolyproline II helixtrans-78.5144.9-171.7-6.124.8000111.8P524P522-P524 WeakPolarHBondContact O-CD 3.38Å
523L41.3Very low43.6Very low153 Ų153140.1 Ų140.180%0.80176%0.758SS**PPolyproline II helixtrans-57.5127.4172.2-98.679.1000111.5S525L523-S525 PolarHBondContact O-N 3.15Å
524P39.8Very low42.5Very low129 Ų129141.2 Ų141.284%0.83877%0.768SS**  trans-75112.21541.616.2000108P522P522-P524 WeakPolarHBondContact O-CD 3.38Å
525S34.4Very low41.7Very low93 Ų93143.4 Ų143.465%0.6578%0.781SS**  trans-95.9106.6161.7-49.40000106.4L523L523-S525 PolarHBondContact O-N 3.15Å
526N37.1Very low40.6Very low149 Ų149141.5 Ų141.580%0.79778%0.782SS**  trans177.7134.7151.1-95.6-27.6000112.7
527L33.2Very low39.9Very low144 Ų144139.2 Ų139.275%0.75478%0.779SS**  trans68.8135158.8-8076.6000116.8
528H36.6Very low39.4Very low167 Ų167143.8 Ų143.877%0.77379%0.79SS**  cis-166145.9-2.2-135.953.4000106.7
529K35.4Very low38.9Very low206 Ų206145.3 Ų145.390%0.89679%0.79SS**  trans-89.5124.7162.6-77.5176.3173.6178.30107.9
530A35.1Very low38.8Very low87 Ų87142.8 Ų142.872%0.71978%0.781SS**  trans171.9133.1156.400000105.5
531D37.2Very low39.1Very low148 Ų148142.1 Ų142.179%0.79178%0.779SS**  cis-131.213115.5-90.5-41.2000107.5
532Q34.4Very low39Very low170 Ų170141.2 Ų141.279%0.79477%0.774SS**  44.8110.985.1-73.2-160.528.900116.2
533S34.4Very low38.7Very low101 Ų101147.5 Ų147.571%0.70678%0.783SS**  trans83.8108.1134.2-54.70000118.2
534S38.2Very low38.8Very low111 Ų111152.7 Ų152.778%0.77680%0.803SS**  128.797.7122.5-57.40000112.7
535Q42Very low38.8Very low199 Ų199153.9 Ų153.993%0.9380%0.801SS**  -170.397.7121.5-105.5167.5-4.300110.1
536I39.9Very low39Very low162 Ų162157.1 Ų157.183%0.83181%0.809SS**  trans-57.4129.4152.1-65.6162.4000107.5
537S42.7Very low39.1Very low101 Ų101157.5 Ų157.571%0.70681%0.81SS**  178103.1127.5-78.20000110.6
538K41.5Very low39.4Very low204 Ų204158.3 Ų158.389%0.88781%0.813SS**  trans-71.8132.2143.5-75.3173.2172.5177.40106.9
539I40.8Very low39.6Very low140 Ų140157.8 Ų157.872%0.71882%0.815SS**  trans-167.1100151.6-89139.2000104.3
540T40.3Very low39.9Very low112 Ų112154.5 Ų154.569%0.68781%0.81SS**  38.1114.2103.933.70000113.3
541D45.7Very low40.2Very low134 Ų134159.4 Ų159.472%0.71782%0.816SS**  179.2138.3116.1-91.8-23000115
542L40.9Very low40.5Very low145 Ų145160.2 Ų160.276%0.75982%0.818SS**  trans65.999.7136.7-65.7158.2000119H544L542-H544 PolarHBondContact O-N 3.27Å
543R42.7Very low41Very low242 Ų242159.4 Ų159.491%0.91382%0.82SS**  trans-34.2115.4134.4-76.9176.2175.4170.8-2.7110.3
544H42.7Very low41.6Very low262 Ų262164.7 Ų164.7100%1.21383%0.831SS**  trans-97.40134.1-92-25.2000108.6L542L542-H544 PolarHBondContact O-N 3.27Å

Retrieved 544 of 544 residues in 257 ms (Link to these results)