A0A3Q0KQZ3_SCHMA Loading...

Meckelin

AlphaFold DB , UniProt , Accession A0A3Q0KQZ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,075 aa.

						>A0A3Q0KQZ3_SCHMA|A0A3Q0KQZ3
MLFCALTVLILVKQPLSHSINLISQQNCSTGSTDSNAEYFNSANLVCKKCSQNLTFQKQSADGFSCICQSGYKTIKNFGGNNVECTQCKDGETVSEDGLFCIPCKAGSYMAATRSCSSCPSDSVSVYLDQSGSPLASQTCLACSNNTVPDNNTCVTCRTTIRMLRASSLPESCICPNSRVDGVCFPGITPTTIGTSNSASGSSPVVPTGSDTFTLVLPAGETSSQTGISSKYFETQARSATAFCSTAYNNITACQLLANLCTLQLNTLYESGTGSASTCSEFRRLTSQRTPINSDYTSWVKDMPWLYYSPTKGSTVLKDTKLKTIYSPNSNLQIYLAAFKINGEFLGFQDASQGGQLQLCKDTSSRMKAAFQFATTYRQTCELNVDDLFDNEKYPLVFYDPYIYFYDSTTQTSQLIPIPIRNTAVIDKSGNFPNVITSSDQNSLNEALALGNTASAVSIEAAIQDKWELTRRLFMVDNFSGKTSTISKVPQLVRYASNIEIKVTSQDSVTDGQIFPPIIKIDYSNFYATNDYGKGKQVQITFSVTYSSSIAKQAAFDQALRIAMGCMSTLAACYAMIRTWIWSRRAGVLRLDAMLVIKLILFAAGNISNAFLIVIYFVSIYFLIFYKVQSVYLINLPNSDEFILIYIAIAFALKCIDLIHLIAVQCTMDIFLIDWEPPKFNRNINNVNPPSNTDIQSSSRSQSLGKYNIISDMTDNLVVRSKKELRSSLQPSSIISDQMEDTGISVWRIIYVANEWNEIQTYRKTSCLITISCVLILMQVIGLENLASSDAKSNILLNSYEYHSPQSRIFRIALILSIFSVIGIIQWLFSITLWERCFSDKLRSFADLCSVANVSVFLFAQSNFGYYIHGHSPTGRSDVDLGGITQMLSIENEGIAPKRGITPDSNDHTYRMALPSGLRQTFNRLYTPLLNLTLNADKYGKHVSAQAITNEVYHNINRYLKRFISRDDPDGLRYRIVRRKAFEDIIDGEFDDTTFEGLFYIDDGNSFGDTLYYGNEWLLFTFDALLFCLVDLLSQNLILSAFFVILIGSIFTLLRDDLGRRNTARKTLVDERFLI
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	48.6	Very low	56.6	Low	207 Å²	207	116.6 Å²	116.6	100%	1.02	63%	0.627	S	S	*	*				0	-55	0	-81	-158.2	-167.6	0	0	113.5	F3 C4 A5	M1-F3 VanDerWaalsContact C-N 3.3Å; M1-F3 PolarHBondContact O-N 3.37Å; M1-C4 CarbonylContact O-C 3.56Å; M1-C4 WeakPolarHBondContact O-CB 3.45Å; M1-C4 PolarHBondContact O-N 2.88Å; M1-C4 VanDerWaalsContact O-N 3.09Å; M1-A5 PolarHBondContact O-N 3.16Å
2	L	60.8	Low	55.2	Low	149 Å²	149	115.8 Å²	115.8	78%	0.78	63%	0.628	S	S	*	*	H	α-helix	trans	-58.8	-39.5	179.8	-132.7	98.8	0	0	0	113.1	A5 L6	L2-A5 PolarHBondContact O-N 2.93Å; L2-L6 PolarHBondContact O-N 3.39Å
3	F	63.8	Low	53.9	Low	176 Å²	176	120.2 Å²	120.2	77%	0.772	64%	0.637	S	S	*	*	H	α-helix	trans	-68.1	-34.1	175.9	-142.6	-90.6	0	0	0	112.8	M1 T7	M1-F3 VanDerWaalsContact C-N 3.3Å; M1-F3 PolarHBondContact O-N 3.37Å; F3-T7 PolarHBondContact O-N 2.88Å; F3-T7 PolarHBondContact O-OG1 3.02Å
4	C	62.9	Low	52.7	Low	81 Å²	81	122.3 Å²	122.3	55%	0.547	64%	0.642	S	S	.	*	H	α-helix	trans	-70.7	-38.4	171.7	-67.4	0	0	0	0	111.7	M1 T7 V8	M1-C4 CarbonylContact O-C 3.56Å; M1-C4 WeakPolarHBondContact O-CB 3.45Å; M1-C4 PolarHBondContact O-N 2.88Å; M1-C4 VanDerWaalsContact O-N 3.09Å; C4-T7 VanDerWaalsContact CA-OG1 3.28Å; C4-T7 WeakPolarHBondContact CA-OG1 3.38Å; C4-T7 PolarHBondContact O-N 3.17Å; C4-T7 PolarHBondContact O-OG1 3.18Å; C4-T7 VanDerWaalsContact O-OG1 3.12Å; C4-V8 WeakPolarHBondContact O-CB 3.25Å; C4-V8 WeakPolarHBondContact O-CG2 3.49Å; C4-V8 PolarHBondContact O-N 3.1Å
5	A	65.9	Low	51.9	Low	51 Å²	51	118.5 Å²	118.5	42%	0.421	63%	0.628	S	S	.	*	H	α-helix	trans	-66.6	-39.1	176.6	0	0	0	0	0	111.4	M1 L2 V8 L9	M1-A5 PolarHBondContact O-N 3.16Å; L2-A5 PolarHBondContact O-N 2.93Å; A5-V8 PolarHBondContact O-N 3.45Å; A5-L9 WeakPolarHBondContact O-CB 3.44Å; A5-L9 PolarHBondContact O-N 3.23Å
6	L	64.4	Low	51.2	Low	103 Å²	103	118 Å²	118	54%	0.539	62%	0.624	S	S	.	*	H	α-helix	trans	-68	-41.8	175.7	-126.5	96	0	0	0	112	L2 L9 I10	L2-L6 PolarHBondContact O-N 3.39Å; L6-L9 PolarHBondContact O-N 3.44Å; L6-I10 HydrophobicContact CD2-CD1 4.28Å; L6-I10 WeakPolarHBondContact O-CB 3.48Å; L6-I10 WeakPolarHBondContact O-CD1 3.27Å; L6-I10 WeakPolarHBondContact O-CG1 3.34Å; L6-I10 PolarHBondContact O-N 3.19Å
7	T	60.8	Low	51.2	Low	61 Å²	61	111.3 Å²	111.3	37%	0.374	59%	0.589	S	S	.	*	H	α-helix	trans	-68	-36.3	175.9	36.1	0	0	0	0	111.9	F3 C4 I10 L11	F3-T7 PolarHBondContact O-N 2.88Å; F3-T7 PolarHBondContact O-OG1 3.02Å; C4-T7 VanDerWaalsContact CA-OG1 3.28Å; C4-T7 WeakPolarHBondContact CA-OG1 3.38Å; C4-T7 PolarHBondContact O-N 3.17Å; C4-T7 PolarHBondContact O-OG1 3.18Å; C4-T7 VanDerWaalsContact O-OG1 3.12Å; T7-I10 PolarHBondContact O-N 3.41Å; T7-L11 WeakPolarHBondContact O-CB 3.24Å; T7-L11 WeakPolarHBondContact O-CD1 3.14Å; T7-L11 VanDerWaalsContact O-CG 3.27Å; T7-L11 WeakPolarHBondContact O-CG 3.47Å; T7-L11 PolarHBondContact O-N 3.47Å
8	V	54.5	Low	52	Low	83 Å²	83	109.1 Å²	109.1	50%	0.503	58%	0.575	S	S	.	*	H	α-helix	trans	-67.8	-40.2	172.2	172.4	0	0	0	0	111.2	C4 A5 I10 L11 V12	C4-V8 WeakPolarHBondContact O-CB 3.25Å; C4-V8 WeakPolarHBondContact O-CG2 3.49Å; C4-V8 PolarHBondContact O-N 3.1Å; A5-V8 PolarHBondContact O-N 3.45Å; V8-I10 VanDerWaalsContact C-N 3.32Å; V8-I10 PolarHBondContact O-N 2.86Å; V8-L11 PolarHBondContact O-N 3.23Å; V8-V12 HydrophobicContact CG1-CG2 3.82Å; V8-V12 WeakPolarHBondContact O-CB 3.46Å; V8-V12 WeakPolarHBondContact O-CG2 3.07Å; V8-V12 PolarHBondContact O-N 2.03Å
9	L	50.4	Low	52.9	Low	121 Å²	121	104.6 Å²	104.6	63%	0.634	55%	0.553	S	S	*	*	H	α-helix	trans	-66.2	-32.5	174.1	-94.5	148.8	0	0	0	113.1	A5 L6 K13	A5-L9 WeakPolarHBondContact O-CB 3.44Å; A5-L9 PolarHBondContact O-N 3.23Å; L6-L9 PolarHBondContact O-N 3.44Å; L9-K13 PolarHBondContact O-N 2.86Å
10	I	50.2	Low	54.2	Low	119 Å²	119	99.8 Å²	99.8	61%	0.61	53%	0.528	S	S	*	.	H	α-helix	trans	-77.6	-34.1	175.1	-67	165.9	0	0	0	111.2	L6 T7 V8	L6-I10 HydrophobicContact CD2-CD1 4.28Å; L6-I10 WeakPolarHBondContact O-CB 3.48Å; L6-I10 WeakPolarHBondContact O-CD1 3.27Å; L6-I10 WeakPolarHBondContact O-CG1 3.34Å; L6-I10 PolarHBondContact O-N 3.19Å; T7-I10 PolarHBondContact O-N 3.41Å; V8-I10 VanDerWaalsContact C-N 3.32Å; V8-I10 PolarHBondContact O-N 2.86Å
11	L	40.4	Very low	55.3	Low	132 Å²	132	98.7 Å²	98.7	69%	0.691	52%	0.522	S	S	*	.	H	α-helix	trans	-79	-27	176	-78.3	159.5	0	0	0	113.3	T7 V8	T7-L11 WeakPolarHBondContact O-CB 3.24Å; T7-L11 WeakPolarHBondContact O-CD1 3.14Å; T7-L11 VanDerWaalsContact O-CG 3.27Å; T7-L11 WeakPolarHBondContact O-CG 3.47Å; T7-L11 PolarHBondContact O-N 3.47Å; V8-L11 PolarHBondContact O-N 3.23Å
12	V	39.4	Very low	56.9	Low	106 Å²	106	91.1 Å²	91.1	64%	0.642	49%	0.486	S	S	*	.	H	α-helix	trans	-84.5	-17	179.1	174	0	0	0	0	112.1	V8 Q14	V8-V12 HydrophobicContact CG1-CG2 3.82Å; V8-V12 WeakPolarHBondContact O-CB 3.46Å; V8-V12 WeakPolarHBondContact O-CG2 3.07Å; V8-V12 PolarHBondContact O-N 2.03Å; V12-Q14 PolarHBondContact O-N 3.21Å
13	K	38.5	Very low	57.8	Low	173 Å²	173	85.9 Å²	85.9	75%	0.752	46%	0.458	S	S	*	.			trans	-75.3	61.9	160.8	-77.3	-167.1	175.9	-171.7	0	110.2	L9	L9-K13 PolarHBondContact O-N 2.86Å
14	Q	36.7	Very low	58.5	Low	150 Å²	150	79.5 Å²	79.5	70%	0.701	44%	0.435	S	S	*	.			trans	-59.2	129	152.4	-75.6	-175.9	-22.4	0	0	106.5	V12 L16	V12-Q14 PolarHBondContact O-N 3.21Å; Q14-L16 PolarHBondContact O-N 2.84Å
15	P	41.9	Very low	59.2	Low	66 Å²	66	78.9 Å²	78.9	43%	0.429	43%	0.425	S	S	.	.			trans	-59.1	109.9	168.2	23.8	-29.6	0	0	0	107.5	S17 T315	P15-S17 PolarHBondContact O-N 2.64Å; P15-T315 HydrophobicContact CB-CG2 4.39Å
16	L	40.6	Very low	59.8	Low	110 Å²	110	84.8 Å²	84.8	58%	0.576	44%	0.443	S	S	*	.			trans	-72.5	68.1	168.6	-83.3	107.3	0	0	0	109.5	Q14 N293 D295	Q14-L16 PolarHBondContact O-N 2.84Å; L16-N293 PolarHBondContact O-ND2 2.04Å; L16-D295 WeakPolarHBondContact CA-OD2 3.31Å; L16-D295 WeakPolarHBondContact CB-OD2 3.4Å; L16-D295 PolarHBondContact N-OD2 3.03Å
17	S	51	Low	60.6	Low	4 Å²	4	85 Å²	85	3%	0.028	45%	0.445	C	S	.	.			trans	-64.1	156.3	165.2	-67.9	0	0	0	0	111.9	P15 Y296 D319 K321	P15-S17 PolarHBondContact O-N 2.64Å; S17-Y296 WeakPolarHBondContact CB-OH 3.42Å; S17-Y296 WeakPolarHBondContact OG-CE2 3.19Å; S17-Y296 PolarHBondContact OG-OH 2.89Å; S17-D319 WeakPolarHBondContact CB-OD2 3.32Å; S17-D319 PolarHBondContact OG-OD2 3.07Å; S17-K321 WeakPolarHBondContact O-CD 3.06Å; S17-K321 WeakPolarHBondContact O-CE 3.26Å; S17-K321 PolarHBondContact O-NZ 2.66Å
18	H	65	Low	61.8	Low	71 Å²	71	82.3 Å²	82.3	33%	0.329	43%	0.429	S	S	.	.			trans	-105.7	128.4	-170	-171.5	85.6	0	0	0	112.5	I20 W299	H18-I20 VanDerWaalsContact CD2-CG1 3.48Å; H18-I20 WeakPolarHBondContact CD2-CG1 3.12Å; H18-W299 HydrophobicContact CB-CE3 4.44Å; H18-W299 HydrophobicContact CB-CH2 4.34Å; H18-W299 HydrophobicContact CB-CZ3 3.59Å; H18-W299 AromaticContact CD2-CH2 3.11Å; H18-W299 WeakPolarHBondContact CD2-CH2 3.28Å; H18-W299 AromaticContact CD2-CZ3 3.28Å; H18-W299 WeakPolarHBondContact CD2-CZ3 3.15Å; H18-W299 AromaticContact CG-CH2 3.71Å; H18-W299 AromaticContact CG-CZ3 3.36Å; H18-W299 AromaticContact ND1-CZ3 3.98Å; H18-W299 AromaticContact NE2-CH2 3.35Å; H18-W299 WeakPolarHBondContact NE2-CH2 3.24Å; H18-W299 AromaticContact NE2-CZ3 3.86Å
19	S	69.4	Low	63.3	Low	24 Å²	24	80.5 Å²	80.5	17%	0.168	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-94.7	131.8	160.5	48.5	0	0	0	0	109.1	Q414	S19-Q414 PolarHBondContact OG-OE1 2.97Å
20	I	78.9	Confident	64.8	Low	8 Å²	8	79.6 Å²	79.6	4%	0.041	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	132	179.8	-53.9	171.3	0	0	0	107.6	H18 L22 L45 W299 Y402 Q414 L415	H18-I20 VanDerWaalsContact CD2-CG1 3.48Å; H18-I20 WeakPolarHBondContact CD2-CG1 3.12Å; I20-L22 PolarHBondContact O-N 3.41Å; I20-L45 HydrophobicContact CD1-CD1 4.18Å; I20-L45 HydrophobicContact CG2-CB 4.14Å; I20-W299 HydrophobicContact CD1-CZ2 4.45Å; I20-W299 HydrophobicContact CG1-CH2 4.36Å; I20-Y402 HydrophobicContact CD1-CE1 3.82Å; I20-Q414 CarbonylContact O-C 3.38Å; I20-Q414 WeakPolarHBondContact O-CA 3.4Å; I20-L415 HydrophobicContact CB-CB 4.43Å; I20-L415 PolarHBondContact N-O 3Å; I20-L415 PolarHBondContact O-N 3.07Å
21	N	78.3	Confident	66.2	Low	77 Å²	77	74.7 Å²	74.7	41%	0.412	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	131.6	170.6	-70.6	-23.5	0	0	0	109.7	I23 S413	N21-I23 HydrophobicContact CB-CD1 3.99Å; N21-I23 HydrophobicContact CB-CG1 4Å; N21-I23 PolarHBondContact O-N 3.46Å; N21-S413 WeakPolarHBondContact CA-O 3.42Å
22	L	80.2	Confident	68.1	Low	48 Å²	48	71 Å²	71	25%	0.251	38%	0.383	S	S	.	.			trans	-66.9	103.6	171.7	178.7	66.2	0	0	0	108.4	I20 F348 Y404 S413 L415	I20-L22 PolarHBondContact O-N 3.41Å; L22-F348 HydrophobicContact CD1-CD2 4.18Å; L22-F348 HydrophobicContact CD1-CE2 4.22Å; L22-F348 HydrophobicContact CD1-CG 4.47Å; L22-Y404 HydrophobicContact CD2-CD2 3.91Å; L22-Y404 HydrophobicContact CD2-CE2 3.78Å; L22-S413 PolarHBondContact N-O 2.03Å; L22-L415 HydrophobicContact CB-CG 4.19Å; L22-L415 HydrophobicContact CD1-CD1 3.7Å; L22-L415 HydrophobicContact CD1-CD2 4.25Å; L22-L415 HydrophobicContact CD1-CG 4.07Å
23	I	80.3	Confident	69.7	Low	39 Å²	39	72.7 Å²	72.7	20%	0.2	39%	0.394	C	S	.	.			trans	-122.7	130.7	179.8	-63.1	170.2	0	0	0	107.1	N21 N27 F40 C47	N21-I23 HydrophobicContact CB-CD1 3.99Å; N21-I23 HydrophobicContact CB-CG1 4Å; N21-I23 PolarHBondContact O-N 3.46Å; I23-N27 HydrophobicContact CG2-CB 4Å; I23-F40 HydrophobicContact CB-CE2 4.46Å; I23-F40 HydrophobicContact CG2-CD2 4.38Å; I23-F40 HydrophobicContact CG2-CE2 4.25Å; I23-F40 VanDerWaalsContact O-CE2 3.25Å; I23-F40 WeakPolarHBondContact O-CE2 3.34Å; I23-C47 WeakPolarHBondContact CG2-SG 3.23Å
24	S	78.3	Confident	71.5	Confident	42 Å²	42	71.9 Å²	71.9	29%	0.294	40%	0.398	S	S	.	.			trans	-98.1	165.1	171.1	87.3	0	0	0	0	110.8	Q26 N27	S24-Q26 PolarHBondContact O-N 2.75Å; S24-Q26 VanDerWaalsContact O-N 3.14Å; S24-Q26 PolarHBondContact OG-N 2.84Å; S24-N27 WeakPolarHBondContact CB-OD1 3.06Å; S24-N27 PolarHBondContact N-OD1 3.24Å; S24-N27 WeakPolarHBondContact O-CB 3.46Å; S24-N27 PolarHBondContact O-N 2.72Å; S24-N27 PolarHBondContact OG-OD1 2.79Å
25	Q	78	Confident	73.7	Confident	69 Å²	69	66.6 Å²	66.6	32%	0.322	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-55.1	-32.3	174.6	119.2	-170.5	11.6	0	0	112.5	N27 C28 F40 D62 F64	Q25-N27 VanDerWaalsContact C-N 3.26Å; Q25-N27 PolarHBondContact O-N 3.01Å; Q25-C28 PolarHBondContact O-N 3.26Å; Q25-F40 HydrophobicContact CB-CB 4.07Å; Q25-F40 HydrophobicContact CB-CG 4.33Å; Q25-D62 PolarHBondContact NE2-O 2.85Å; Q25-D62 PolarHBondContact OE1-O 3.29Å; Q25-F64 HydrophobicContact CB-CE1 4.22Å
26	Q	78.1	Confident	75.8	Confident	174 Å²	174	65.7 Å²	65.7	81%	0.813	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-74.2	-18.5	-177.3	-60.3	177.9	-4.2	0	0	112.5	S24 C28	S24-Q26 PolarHBondContact O-N 2.75Å; S24-Q26 VanDerWaalsContact O-N 3.14Å; S24-Q26 PolarHBondContact OG-N 2.84Å; Q26-C28 VanDerWaalsContact C-N 3.34Å
27	N	82.6	Confident	78	Confident	109 Å²	109	60.5 Å²	60.5	58%	0.583	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-80.7	-17.8	176.8	-65.1	73.9	0	0	0	112.2	I23 S24 Q25 S29	I23-N27 HydrophobicContact CG2-CB 4Å; S24-N27 WeakPolarHBondContact CB-OD1 3.06Å; S24-N27 PolarHBondContact N-OD1 3.24Å; S24-N27 WeakPolarHBondContact O-CB 3.46Å; S24-N27 PolarHBondContact O-N 2.72Å; S24-N27 PolarHBondContact OG-OD1 2.79Å; Q25-N27 VanDerWaalsContact C-N 3.26Å; Q25-N27 PolarHBondContact O-N 3.01Å; N27-S29 PolarHBondContact O-N 3.21Å
28	C	84.8	Confident	79.7	Confident	4 Å²	4	62.5 Å²	62.5	3%	0.027	35%	0.351	C	S	.	.	S	Bend	trans	-71.4	128.8	177.7	-59.7	0	0	0	0	109.7	Q25 Q26 T30 E38 C47	Q25-C28 PolarHBondContact O-N 3.26Å; Q26-C28 VanDerWaalsContact C-N 3.34Å; C28-T30 PolarHBondContact O-N 2.79Å; C28-E38 HydrophobicContact CB-CB 4.05Å; C28-C47 WeakPolarHBondContact CA-SG 3.14Å; C28-C47 HydrophobicContact CB-CB 3.87Å; C28-C47 WeakPolarHBondContact CB-SG 3.13Å; C28-C47 VanDerWaalsContact SG-CA 3.6Å; C28-C47 WeakPolarHBondContact SG-CB 3.12Å; C28-C47 CovalentContact SG-SG 2.04Å; C28-C47 PolarHBondContact SG-SG 3.42Å
29	S	85.5	Confident	80.7	Confident	45 Å²	45	59.1 Å²	59.1	32%	0.315	34%	0.336	S	S	.	.			trans	-60.9	129.5	-175.8	-175.8	0	0	0	0	110.9	N27 G31 E38	N27-S29 PolarHBondContact O-N 3.21Å; S29-G31 PolarHBondContact O-N 3.04Å; S29-G31 WeakPolarHBondContact OG-CA 3.29Å; S29-G31 PolarHBondContact OG-N 3.16Å; S29-E38 PolarHBondContact N-OE2 3.31Å; S29-E38 PolarHBondContact O-N 2.56Å
30	T	83.4	Confident	81.6	Confident	102 Å²	102	58 Å²	58	63%	0.626	33%	0.328	S	S	*	.			trans	-68.3	0.8	166.2	51.5	0	0	0	0	112.5	C28 L54	C28-T30 PolarHBondContact O-N 2.79Å; T30-L54 VanDerWaalsContact O-CD2 3.31Å; T30-L54 WeakPolarHBondContact O-CD2 3.47Å
31	G	80	Confident	81.9	Confident	16 Å²	16	57.7 Å²	57.7	17%	0.165	33%	0.326	C	S	.	.			trans	90.8	165.6	-177.6	0	0	0	0	0	112.6	S29 S35	S29-G31 PolarHBondContact O-N 3.04Å; S29-G31 WeakPolarHBondContact OG-CA 3.29Å; S29-G31 PolarHBondContact OG-N 3.16Å; G31-S35 WeakPolarHBondContact CA-O 3.37Å
32	S	79.8	Confident	82.3	Confident	54 Å²	54	54.4 Å²	54.4	38%	0.378	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-137.3	173.9	173.1	71.9	0	0	0	0	109.4	D34 S35 L54	S32-D34 PolarHBondContact O-N 2.9Å; S32-D34 PolarHBondContact OG-N 2.89Å; S32-S35 PolarHBondContact N-O 3.26Å; S32-S35 PolarHBondContact N-OG 3.18Å; S32-S35 VanDerWaalsContact N-OG 3.13Å; S32-S35 PolarHBondContact O-N 3.26Å; S32-S35 PolarHBondContact OG-N 3.07Å; S32-S35 PolarHBondContact OG-OG 3.2Å; S32-L54 WeakPolarHBondContact O-CD1 3.32Å
33	T	72.8	Confident	82.5	Confident	142 Å²	142	52.6 Å²	52.6	87%	0.871	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-29.8	177.3	43.2	0	0	0	0	113.3
34	D	76.6	Confident	82.7	Confident	155 Å²	155	51 Å²	51	83%	0.829	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-1.1	-178.4	-56.5	-39.9	0	0	0	113.9	S32	S32-D34 PolarHBondContact O-N 2.9Å; S32-D34 PolarHBondContact OG-N 2.89Å
35	S	81.5	Confident	83	Confident	39 Å²	39	49.3 Å²	49.3	27%	0.273	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-139.4	131.3	-175.1	71.1	0	0	0	0	113.3	G31 S32	G31-S35 WeakPolarHBondContact CA-O 3.37Å; S32-S35 PolarHBondContact N-O 3.26Å; S32-S35 PolarHBondContact N-OG 3.18Å; S32-S35 VanDerWaalsContact N-OG 3.13Å; S32-S35 PolarHBondContact O-N 3.26Å; S32-S35 PolarHBondContact OG-N 3.07Å; S32-S35 PolarHBondContact OG-OG 3.2Å
36	N	86.3	Confident	83.4	Confident	48 Å²	48	48.5 Å²	48.5	26%	0.257	28%	0.28	S	S	.	.			trans	-56.3	150	172.3	-60.1	12.4	0	0	0	110.8	C50 Q52 N53	N36-C50 PolarHBondContact ND2-O 3.48Å; N36-Q52 VanDerWaalsContact CG-O 3.29Å; N36-Q52 PolarHBondContact ND2-O 2.99Å; N36-N53 WeakPolarHBondContact OD1-CA 3.11Å
37	A	86.4	Confident	83.8	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.008	25%	0.252	C	S	.	.			trans	-57.7	154.6	167.4	0	0	0	0	0	111	C50 L54 Q59	A37-C50 VanDerWaalsContact O-CB 3.28Å; A37-C50 WeakPolarHBondContact O-CB 3.46Å; A37-C50 PolarHBondContact O-N 3.23Å; A37-C50 PolarHBondContact O-SG 3.01Å; A37-C50 VanDerWaalsContact O-SG 3.33Å; A37-L54 HydrophobicContact CB-CD2 3.76Å; A37-Q59 HydrophobicContact CB-CB 4.45Å
38	E	88.3	Confident	84	Confident	45 Å²	45	38.2 Å²	38.2	21%	0.21	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	151.3	173.8	-63.1	-179.2	155	0	0	110	C28 S29 C47 K48 K49 Q59	C28-E38 HydrophobicContact CB-CB 4.05Å; S29-E38 PolarHBondContact N-OE2 3.31Å; S29-E38 PolarHBondContact O-N 2.56Å; E38-C47 HydrophobicContact CB-CB 4.25Å; E38-K48 CarbonylContact C-O 3.58Å; E38-K48 WeakPolarHBondContact CA-O 3.29Å; E38-K49 HydrophobicContact CG-CG 3.97Å; E38-Q59 VanDerWaalsContact O-CD 3.25Å; E38-Q59 WeakPolarHBondContact O-CG 3.25Å; E38-Q59 PolarHBondContact O-NE2 2.69Å; E38-Q59 VanDerWaalsContact O-NE2 3.11Å
39	Y	86	Confident	84.1	Confident	1 Å²	1	44.5 Å²	44.5	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	154	172	75.2	-82.2	0	0	0	110.1	N41 C47 K48 G63 F64 C66 G80 N81 I251	Y39-N41 HydrophobicContact CE2-CB 4.18Å; Y39-N41 PolarHBondContact O-N 3.38Å; Y39-C47 WeakPolarHBondContact O-CA 3.47Å; Y39-K48 HydrophobicContact CD1-CB 4.2Å; Y39-K48 WeakPolarHBondContact CD1-O 3.3Å; Y39-K48 HydrophobicContact CE1-CB 3.6Å; Y39-K48 PolarHBondContact N-O 2.84Å; Y39-K48 PolarHBondContact O-N 3.2Å; Y39-G63 WeakPolarHBondContact CA-O 3.46Å; Y39-F64 WeakPolarHBondContact CD2-O 3.47Å; Y39-C66 WeakPolarHBondContact CD1-SG 3.4Å; Y39-G80 VanDerWaalsContact CZ-CA 3.42Å; Y39-G80 WeakPolarHBondContact OH-CA 3.02Å; Y39-N81 HydrophobicContact CE1-CB 4.1Å; Y39-N81 PolarHBondContact OH-N 2.85Å; Y39-I251 HydrophobicContact CE2-CD1 4.09Å
40	F	87.7	Confident	84.2	Confident	1 Å²	1	42.5 Å²	42.5	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	115	178.1	-173	-98.9	0	0	0	110.8	I23 Q25 S42 L45 G63 F64 F345 F348	I23-F40 HydrophobicContact CB-CE2 4.46Å; I23-F40 HydrophobicContact CG2-CD2 4.38Å; I23-F40 HydrophobicContact CG2-CE2 4.25Å; I23-F40 VanDerWaalsContact O-CE2 3.25Å; I23-F40 WeakPolarHBondContact O-CE2 3.34Å; Q25-F40 HydrophobicContact CB-CB 4.07Å; Q25-F40 HydrophobicContact CB-CG 4.33Å; F40-S42 PolarHBondContact O-N 3.33Å; F40-L45 HydrophobicContact CE1-CD2 4.14Å; F40-L45 HydrophobicContact CZ-CB 4.35Å; F40-L45 HydrophobicContact CZ-CD2 3.91Å; F40-G63 PolarHBondContact N-O 2.02Å; F40-F64 HydrophobicContact CB-CD1 4.09Å; F40-F64 HydrophobicContact CB-CE1 4.34Å; F40-F64 AromaticContact CD1-CD1 3.91Å; F40-F64 HydrophobicContact CD1-CD1 3.91Å; F40-F64 AromaticContact CD1-CE1 3.7Å; F40-F64 HydrophobicContact CD1-CE1 3.7Å; F40-F64 HydrophobicContact CG-CD1 4.49Å; F40-F64 HydrophobicContact CG-CE1 4.4Å; F40-F345 HydrophobicContact CD1-CD1 4.3Å; F40-F345 HydrophobicContact CD1-CE1 4.22Å; F40-F345 AromaticContact CE1-CD1 3.88Å; F40-F345 HydrophobicContact CE1-CD1 3.88Å; F40-F345 AromaticContact CE1-CE1 3.46Å; F40-F345 HydrophobicContact CE1-CE1 3.46Å; F40-F345 VanDerWaalsContact CE1-CE1 3.46Å; F40-F345 HydrophobicContact CE1-CZ 4.27Å; F40-F345 HydrophobicContact CZ-CE1 4.17Å; F40-F348 HydrophobicContact CZ-CE2 4.4Å
41	N	86	Confident	84.2	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	102.2	175.1	-174.7	-45.7	0	0	0	109.9	Y39 A43 N44 L45 V46 K48 I251 D302	Y39-N41 HydrophobicContact CE2-CB 4.18Å; Y39-N41 PolarHBondContact O-N 3.38Å; N41-A43 VanDerWaalsContact C-N 3.25Å; N41-A43 PolarHBondContact O-N 2.97Å; N41-A43 WeakPolarHBondContact OD1-CB 3.3Å; N41-A43 PolarHBondContact OD1-N 3.35Å; N41-N44 PolarHBondContact O-N 3Å; N41-N44 PolarHBondContact OD1-N 3.33Å; N41-N44 VanDerWaalsContact OD1-N 3.09Å; N41-L45 VanDerWaalsContact O-CA 3.3Å; N41-L45 WeakPolarHBondContact O-CA 3.28Å; N41-L45 PolarHBondContact O-N 3.13Å; N41-V46 HydrophobicContact CB-CG2 4.43Å; N41-V46 WeakPolarHBondContact CB-O 2.99Å; N41-V46 PolarHBondContact N-O 3.4Å; N41-V46 PolarHBondContact O-N 2.52Å; N41-K48 HydrophobicContact CB-CD 4.19Å; N41-K48 HydrophobicContact CB-CG 4.21Å; N41-K48 WeakPolarHBondContact ND2-CD 3.21Å; N41-K48 VanDerWaalsContact ND2-CE 3.32Å; N41-K48 WeakPolarHBondContact ND2-CE 3.26Å; N41-K48 PolarHBondContact ND2-NZ 3.07Å; N41-K48 VanDerWaalsContact ND2-NZ 3.12Å; N41-I251 WeakPolarHBondContact ND2-CD1 3.41Å; N41-D302 PolarHBondContact ND2-OD1 2.97Å
42	S	85.9	Confident	84.5	Confident	9 Å²	9	42 Å²	42	6%	0.063	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-16.9	-178.2	64.5	0	0	0	0	114.8	F40 I251 Q255	F40-S42 PolarHBondContact O-N 3.33Å; S42-I251 WeakPolarHBondContact OG-CG2 3.23Å; S42-Q255 PolarHBondContact O-NE2 2.94Å
43	A	84	Confident	84.7	Confident	9 Å²	9	42.9 Å²	42.9	7%	0.074	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-36.4	175.8	0	0	0	0	0	112.7	N41 I251 P304	N41-A43 VanDerWaalsContact C-N 3.25Å; N41-A43 PolarHBondContact O-N 2.97Å; N41-A43 WeakPolarHBondContact OD1-CB 3.3Å; N41-A43 PolarHBondContact OD1-N 3.35Å; A43-I251 HydrophobicContact CB-CG2 3.78Å; A43-P304 HydrophobicContact CB-CG 4.28Å
44	N	84.4	Confident	85.2	Confident	7 Å²	7	38.3 Å²	38.3	4%	0.037	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-3.7	-178.1	-57.1	124.8	0	0	0	114.1	N41 V46 I292 V300 D302	N41-N44 PolarHBondContact O-N 3Å; N41-N44 PolarHBondContact OD1-N 3.33Å; N41-N44 VanDerWaalsContact OD1-N 3.09Å; N44-V46 HydrophobicContact CB-CG2 4.03Å; N44-V46 PolarHBondContact O-N 2Å; N44-I292 HydrophobicContact CB-CD1 4.47Å; N44-I292 WeakPolarHBondContact ND2-CD1 3.48Å; N44-V300 PolarHBondContact ND2-O 3.09Å; N44-V300 VanDerWaalsContact ND2-O 3.17Å; N44-D302 WeakPolarHBondContact OD1-CA 3.47Å; N44-D302 PolarHBondContact OD1-N 3.21Å
45	L	85.1	Confident	85.4	Confident	6 Å²	6	34.5 Å²	34.5	3%	0.031	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	41.5	179.5	-54.3	174.8	0	0	0	113.9	I20 F40 N41 F345 F348 Y402	I20-L45 HydrophobicContact CD1-CD1 4.18Å; I20-L45 HydrophobicContact CG2-CB 4.14Å; F40-L45 HydrophobicContact CE1-CD2 4.14Å; F40-L45 HydrophobicContact CZ-CB 4.35Å; F40-L45 HydrophobicContact CZ-CD2 3.91Å; N41-L45 VanDerWaalsContact O-CA 3.3Å; N41-L45 WeakPolarHBondContact O-CA 3.28Å; N41-L45 PolarHBondContact O-N 3.13Å; L45-F345 HydrophobicContact CD2-CZ 4.44Å; L45-F348 HydrophobicContact CD1-CE1 4.25Å; L45-F348 HydrophobicContact CD1-CZ 3.92Å; L45-F348 HydrophobicContact CD2-CZ 3.95Å; L45-F348 HydrophobicContact CG-CZ 4.39Å; L45-Y402 HydrophobicContact CD1-CE1 4.15Å; L45-Y402 HydrophobicContact CD1-CE2 4.09Å; L45-Y402 WeakPolarHBondContact CD1-OH 3.31Å
46	V	85.8	Confident	85.6	Confident	52 Å²	52	35.6 Å²	35.6	32%	0.315	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	151.2	-179.3	-65.7	0	0	0	0	111.7	N41 N44 K48	N41-V46 HydrophobicContact CB-CG2 4.43Å; N41-V46 WeakPolarHBondContact CB-O 2.99Å; N41-V46 PolarHBondContact N-O 3.4Å; N41-V46 PolarHBondContact O-N 2.52Å; N44-V46 HydrophobicContact CB-CG2 4.03Å; N44-V46 PolarHBondContact O-N 2Å; V46-K48 HydrophobicContact CG2-CG 4.25Å
47	C	86.7	Confident	85.6	Confident	32 Å²	32	33.3 Å²	33.3	22%	0.216	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	129.1	168.3	-60.8	0	0	0	0	109.9	I23 C28 E38 Y39	I23-C47 WeakPolarHBondContact CG2-SG 3.23Å; C28-C47 WeakPolarHBondContact CA-SG 3.14Å; C28-C47 HydrophobicContact CB-CB 3.87Å; C28-C47 WeakPolarHBondContact CB-SG 3.13Å; C28-C47 VanDerWaalsContact SG-CA 3.6Å; C28-C47 WeakPolarHBondContact SG-CB 3.12Å; C28-C47 CovalentContact SG-SG 2.04Å; C28-C47 PolarHBondContact SG-SG 3.42Å; E38-C47 HydrophobicContact CB-CB 4.25Å; Y39-C47 WeakPolarHBondContact O-CA 3.47Å
48	K	86.6	Confident	85.6	Confident	35 Å²	35	36.5 Å²	36.5	15%	0.152	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	140.4	174.9	-71.9	-167.2	-178.3	175.7	0	110.1	E38 Y39 N41 V46 D302	E38-K48 CarbonylContact C-O 3.58Å; E38-K48 WeakPolarHBondContact CA-O 3.29Å; Y39-K48 HydrophobicContact CD1-CB 4.2Å; Y39-K48 WeakPolarHBondContact CD1-O 3.3Å; Y39-K48 HydrophobicContact CE1-CB 3.6Å; Y39-K48 PolarHBondContact N-O 2.84Å; Y39-K48 PolarHBondContact O-N 3.2Å; N41-K48 HydrophobicContact CB-CD 4.19Å; N41-K48 HydrophobicContact CB-CG 4.21Å; N41-K48 WeakPolarHBondContact ND2-CD 3.21Å; N41-K48 VanDerWaalsContact ND2-CE 3.32Å; N41-K48 WeakPolarHBondContact ND2-CE 3.26Å; N41-K48 PolarHBondContact ND2-NZ 3.07Å; N41-K48 VanDerWaalsContact ND2-NZ 3.12Å; V46-K48 HydrophobicContact CG2-CG 4.25Å; K48-D302 VanDerWaalsContact NZ-CG 3.28Å; K48-D302 IonicContact NZ-OD1 3.61Å; K48-D302 PolarHBondContact NZ-OD1 3.5Å; K48-D302 IonicContact NZ-OD2 2.78Å; K48-D302 PolarHBondContact NZ-OD2 3.15Å
49	K	87.8	Confident	85.5	Confident	136 Å²	136	35.9 Å²	35.9	59%	0.591	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	137.4	177	-65.2	-178.3	-179.5	-175.8	0	111.3	E38	E38-K49 HydrophobicContact CG-CG 3.97Å
50	C	86.5	Confident	85.4	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.014	19%	0.191	C	C	.	.			trans	-62.6	147.6	164.4	-64.4	0	0	0	0	110.1	N36 A37 Q52 C66	N36-C50 PolarHBondContact ND2-O 3.48Å; A37-C50 VanDerWaalsContact O-CB 3.28Å; A37-C50 WeakPolarHBondContact O-CB 3.46Å; A37-C50 PolarHBondContact O-N 3.23Å; A37-C50 PolarHBondContact O-SG 3.01Å; A37-C50 VanDerWaalsContact O-SG 3.33Å; C50-Q52 PolarHBondContact O-N 2.56Å; C50-C66 WeakPolarHBondContact CA-SG 3.4Å; C50-C66 HydrophobicContact CB-CB 3.9Å; C50-C66 WeakPolarHBondContact CB-SG 3.16Å; C50-C66 WeakPolarHBondContact SG-CB 3.39Å; C50-C66 CovalentContact SG-SG 2.03Å; C50-C66 PolarHBondContact SG-SG 3.03Å
51	S	85.2	Confident	85.1	Confident	62 Å²	62	41.6 Å²	41.6	43%	0.434	24%	0.235	S	C	.	.	S	Bend	trans	-67.9	-34.2	-173.4	53.5	0	0	0	0	112.9	Q57 N81 V83	S51-Q57 PolarHBondContact OG-NE2 3.49Å; S51-Q57 PolarHBondContact OG-OE1 3.03Å; S51-N81 WeakPolarHBondContact CB-O 2.98Å; S51-N81 PolarHBondContact OG-O 3.05Å; S51-N81 VanDerWaalsContact OG-O 3.12Å; S51-V83 PolarHBondContact OG-O 3.05Å
52	Q	85.1	Confident	84.8	Confident	47 Å²	47	45.4 Å²	45.4	22%	0.22	26%	0.256	C	S	.	.	S	Bend	trans	-110.1	160.7	-179.6	-59.2	178.1	-64.4	0	0	111.5	N36 C50 F56 Q57 C85	N36-Q52 VanDerWaalsContact CG-O 3.29Å; N36-Q52 PolarHBondContact ND2-O 2.99Å; C50-Q52 PolarHBondContact O-N 2.56Å; Q52-F56 HydrophobicContact CB-CB 3.87Å; Q52-F56 HydrophobicContact CB-CD2 4.29Å; Q52-F56 HydrophobicContact CB-CG 4.39Å; Q52-Q57 HydrophobicContact CB-CG 4.04Å; Q52-C85 PolarHBondContact NE2-O 2.83Å; Q52-C85 PolarHBondContact OE1-O 2.87Å
53	N	84.9	Confident	84.7	Confident	71 Å²	71	45.1 Å²	45.1	38%	0.38	25%	0.254	S	S	.	.			trans	-68.7	172	178.8	71.9	29.3	0	0	0	112.5	N36 T55 F56 Q57	N36-N53 WeakPolarHBondContact OD1-CA 3.11Å; N53-T55 PolarHBondContact O-N 3.1Å; N53-T55 VanDerWaalsContact O-N 3.08Å; N53-T55 WeakPolarHBondContact OD1-CB 3.49Å; N53-T55 PolarHBondContact OD1-N 3.46Å; N53-T55 PolarHBondContact OD1-OG1 3.05Å; N53-F56 PolarHBondContact O-N 3.23Å; N53-F56 WeakPolarHBondContact OD1-CD2 3.26Å; N53-Q57 PolarHBondContact O-N 3.08Å; N53-Q57 VanDerWaalsContact O-N 3.1Å
54	L	82.8	Confident	84.7	Confident	46 Å²	46	47 Å²	47	24%	0.241	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.1	-177.5	-83.5	-168.7	0	0	0	116.1	T30 S32 A37 F56 Q57 Q69	T30-L54 VanDerWaalsContact O-CD2 3.31Å; T30-L54 WeakPolarHBondContact O-CD2 3.47Å; S32-L54 WeakPolarHBondContact O-CD1 3.32Å; A37-L54 HydrophobicContact CB-CD2 3.76Å; L54-F56 VanDerWaalsContact C-N 3.33Å; L54-Q57 WeakPolarHBondContact CA-O 2.94Å; L54-Q69 WeakPolarHBondContact O-CG 3.47Å; L54-Q69 PolarHBondContact O-NE2 2.75Å
55	T	81.2	Confident	84.7	Confident	75 Å²	75	48.4 Å²	48.4	46%	0.46	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-35.7	175.3	68.5	0	0	0	0	110.8	N53 Y72	N53-T55 PolarHBondContact O-N 3.1Å; N53-T55 VanDerWaalsContact O-N 3.08Å; N53-T55 WeakPolarHBondContact OD1-CB 3.49Å; N53-T55 PolarHBondContact OD1-N 3.46Å; N53-T55 PolarHBondContact OD1-OG1 3.05Å; T55-Y72 VanDerWaalsContact O-CE1 3.23Å; T55-Y72 WeakPolarHBondContact O-CE1 3.39Å; T55-Y72 WeakPolarHBondContact O-CE2 3.43Å; T55-Y72 PolarHBondContact O-OH 3.47Å
56	F	85	Confident	84.8	Confident	62 Å²	62	48.1 Å²	48.1	27%	0.272	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-37.3	-177.4	-61.1	-81.2	0	0	0	113.1	Q52 N53 L54 Q69 Y72 C85	Q52-F56 HydrophobicContact CB-CB 3.87Å; Q52-F56 HydrophobicContact CB-CD2 4.29Å; Q52-F56 HydrophobicContact CB-CG 4.39Å; N53-F56 PolarHBondContact O-N 3.23Å; N53-F56 WeakPolarHBondContact OD1-CD2 3.26Å; L54-F56 VanDerWaalsContact C-N 3.33Å; F56-Q69 PolarHBondContact O-N 2.96Å; F56-Y72 HydrophobicContact CB-CD1 4.42Å; F56-Y72 AromaticContact CD1-CD1 3.72Å; F56-Y72 HydrophobicContact CD1-CD1 3.72Å; F56-Y72 AromaticContact CD1-CE1 3.66Å; F56-Y72 HydrophobicContact CD1-CE1 3.66Å; F56-Y72 HydrophobicContact CE1-CD1 4.43Å; F56-Y72 HydrophobicContact CE1-CE1 4.08Å; F56-Y72 HydrophobicContact CG-CD1 4.42Å; F56-Y72 HydrophobicContact CG-CE1 4.31Å; F56-C85 HydrophobicContact CB-CB 4.22Å
57	Q	87.1	Confident	84.7	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.4	-169.3	-72.6	179.3	1.1	0	0	112.3	S51 Q52 N53 L54 I67 V83 C85	S51-Q57 PolarHBondContact OG-NE2 3.49Å; S51-Q57 PolarHBondContact OG-OE1 3.03Å; Q52-Q57 HydrophobicContact CB-CG 4.04Å; N53-Q57 PolarHBondContact O-N 3.08Å; N53-Q57 VanDerWaalsContact O-N 3.1Å; L54-Q57 WeakPolarHBondContact CA-O 2.94Å; Q57-I67 WeakPolarHBondContact CA-O 3.49Å; Q57-V83 VanDerWaalsContact NE2-C 3.28Å; Q57-V83 PolarHBondContact NE2-O 2.78Å; Q57-C85 HydrophobicContact CG-CB 4.37Å
58	K	85.8	Confident	84.7	Confident	67 Å²	67	48 Å²	48	29%	0.291	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	161.5	167.3	58.3	178.2	172.9	-170.9	0	110.2	I67 Q69	K58-I67 HydrophobicContact CD-CD1 4.39Å; K58-I67 HydrophobicContact CD-CG1 4.43Å; K58-I67 HydrophobicContact CG-CD1 4.18Å; K58-I67 HydrophobicContact CG-CG1 3.7Å; K58-I67 PolarHBondContact N-O 2.84Å; K58-I67 PolarHBondContact O-N 2.73Å; K58-I67 VanDerWaalsContact O-O 3.05Å; K58-Q69 HydrophobicContact CB-CG 4.33Å; K58-Q69 HydrophobicContact CG-CG 4.46Å
59	Q	86.5	Confident	84.7	Confident	32 Å²	32	48.9 Å²	48.9	15%	0.15	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	141	165.4	-166.2	-177.1	29.9	0	0	109.8	A37 E38 G63	A37-Q59 HydrophobicContact CB-CB 4.45Å; E38-Q59 VanDerWaalsContact O-CD 3.25Å; E38-Q59 WeakPolarHBondContact O-CG 3.25Å; E38-Q59 PolarHBondContact O-NE2 2.69Å; E38-Q59 VanDerWaalsContact O-NE2 3.11Å; Q59-G63 PolarHBondContact NE2-O 3.14Å
60	S	83.8	Confident	84.3	Confident	10 Å²	10	45.7 Å²	45.7	7%	0.07	27%	0.265	C	S	.	.			trans	-62.2	157.2	171.8	56.6	0	0	0	0	111.5	D62 G63 F64 S65	S60-D62 WeakPolarHBondContact CB-OD1 2.95Å; S60-D62 PolarHBondContact O-N 3.16Å; S60-D62 PolarHBondContact OG-OD1 2.86Å; S60-G63 PolarHBondContact O-N 3.26Å; S60-G63 PolarHBondContact OG-N 2.97Å; S60-F64 PolarHBondContact OG-N 3.14Å; S60-S65 WeakPolarHBondContact CB-O 3.23Å; S60-S65 WeakPolarHBondContact CB-OG 2.84Å; S60-S65 PolarHBondContact N-O 3.21Å; S60-S65 PolarHBondContact OG-N 2.98Å; S60-S65 PolarHBondContact OG-O 2.6Å; S60-S65 PolarHBondContact OG-OG 2.98Å
61	A	80.9	Confident	83.9	Confident	112 Å²	112	45.8 Å²	45.8	93%	0.926	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-30.6	-179.7	0	0	0	0	0	112.9
62	D	80.5	Confident	83.9	Confident	81 Å²	81	43.8 Å²	43.8	43%	0.433	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-7	174.8	65.3	-3.2	0	0	0	113.6	Q25 S60 F64	Q25-D62 PolarHBondContact NE2-O 2.85Å; Q25-D62 PolarHBondContact OE1-O 3.29Å; S60-D62 WeakPolarHBondContact CB-OD1 2.95Å; S60-D62 PolarHBondContact O-N 3.16Å; S60-D62 PolarHBondContact OG-OD1 2.86Å; D62-F64 VanDerWaalsContact C-N 3.3Å; D62-F64 HydrophobicContact CB-CD2 3.9Å; D62-F64 HydrophobicContact CB-CE2 4.36Å; D62-F64 VanDerWaalsContact O-CD2 3.22Å; D62-F64 WeakPolarHBondContact O-CD2 3.02Å; D62-F64 VanDerWaalsContact O-CE2 3.31Å; D62-F64 WeakPolarHBondContact O-CE2 2.91Å; D62-F64 PolarHBondContact O-N 2.78Å; D62-F64 PolarHBondContact OD1-N 2.59Å
63	G	83.7	Confident	83.7	Confident	3 Å²	3	45.1 Å²	45.1	3%	0.031	26%	0.255	C	S	.	.	S	Bend	trans	79.6	-4.5	177.5	0	0	0	0	0	116.6	Y39 F40 Q59 S60	Y39-G63 WeakPolarHBondContact CA-O 3.46Å; F40-G63 PolarHBondContact N-O 2.02Å; Q59-G63 PolarHBondContact NE2-O 3.14Å; S60-G63 PolarHBondContact O-N 3.26Å; S60-G63 PolarHBondContact OG-N 2.97Å
64	F	84.2	Confident	83.5	Confident	49 Å²	49	42.9 Å²	42.9	22%	0.215	24%	0.244	C	C	.	.	S	Bend	trans	-97.7	-3.7	-170.4	-60.8	-59.1	0	0	0	115.3	Q25 Y39 F40 S60 D62 F345	Q25-F64 HydrophobicContact CB-CE1 4.22Å; Y39-F64 WeakPolarHBondContact CD2-O 3.47Å; F40-F64 HydrophobicContact CB-CD1 4.09Å; F40-F64 HydrophobicContact CB-CE1 4.34Å; F40-F64 AromaticContact CD1-CD1 3.91Å; F40-F64 HydrophobicContact CD1-CD1 3.91Å; F40-F64 AromaticContact CD1-CE1 3.7Å; F40-F64 HydrophobicContact CD1-CE1 3.7Å; F40-F64 HydrophobicContact CG-CD1 4.49Å; F40-F64 HydrophobicContact CG-CE1 4.4Å; S60-F64 PolarHBondContact OG-N 3.14Å; D62-F64 VanDerWaalsContact C-N 3.3Å; D62-F64 HydrophobicContact CB-CD2 3.9Å; D62-F64 HydrophobicContact CB-CE2 4.36Å; D62-F64 VanDerWaalsContact O-CD2 3.22Å; D62-F64 WeakPolarHBondContact O-CD2 3.02Å; D62-F64 VanDerWaalsContact O-CE2 3.31Å; D62-F64 WeakPolarHBondContact O-CE2 2.91Å; D62-F64 PolarHBondContact O-N 2.78Å; D62-F64 PolarHBondContact OD1-N 2.59Å; F64-F345 AromaticContact CE1-CD1 3.7Å; F64-F345 HydrophobicContact CE1-CD1 3.7Å; F64-F345 HydrophobicContact CE1-CE1 4.48Å; F64-F345 AromaticContact CZ-CD1 3.95Å; F64-F345 HydrophobicContact CZ-CD1 3.95Å
65	S	83.2	Confident	83.2	Confident	35 Å²	35	45.8 Å²	45.8	25%	0.245	26%	0.258	C	S	.	.	S	Bend	trans	-149.8	166.3	179.3	62.8	0	0	0	0	112.2	S60	S60-S65 WeakPolarHBondContact CB-O 3.23Å; S60-S65 WeakPolarHBondContact CB-OG 2.84Å; S60-S65 PolarHBondContact N-O 3.21Å; S60-S65 PolarHBondContact OG-N 2.98Å; S60-S65 PolarHBondContact OG-O 2.6Å; S60-S65 PolarHBondContact OG-OG 2.98Å
66	C	86.4	Confident	82.8	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.007	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	135.3	168.9	-56.4	0	0	0	0	109.1	Y39 C50 V83	Y39-C66 WeakPolarHBondContact CD1-SG 3.4Å; C50-C66 WeakPolarHBondContact CA-SG 3.4Å; C50-C66 HydrophobicContact CB-CB 3.9Å; C50-C66 WeakPolarHBondContact CB-SG 3.16Å; C50-C66 WeakPolarHBondContact SG-CB 3.39Å; C50-C66 CovalentContact SG-SG 2.03Å; C50-C66 PolarHBondContact SG-SG 3.03Å; C66-V83 WeakPolarHBondContact O-CG2 3.37Å
67	I	85.5	Confident	81.9	Confident	63 Å²	63	47.5 Å²	47.5	32%	0.323	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	158.7	175	61.3	172.4	0	0	0	110.1	Q57 K58	Q57-I67 WeakPolarHBondContact CA-O 3.49Å; K58-I67 HydrophobicContact CD-CD1 4.39Å; K58-I67 HydrophobicContact CD-CG1 4.43Å; K58-I67 HydrophobicContact CG-CD1 4.18Å; K58-I67 HydrophobicContact CG-CG1 3.7Å; K58-I67 PolarHBondContact N-O 2.84Å; K58-I67 PolarHBondContact O-N 2.73Å; K58-I67 VanDerWaalsContact O-O 3.05Å
68	C	86.1	Confident	80.8	Confident	18 Å²	18	50.5 Å²	50.5	12%	0.122	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	145.9	175.4	-57.3	0	0	0	0	111.5	Y72 T74 C85	C68-Y72 WeakPolarHBondContact CB-O 3.31Å; C68-T74 PolarHBondContact SG-OG1 3.42Å; C68-C85 WeakPolarHBondContact CA-SG 3.43Å; C68-C85 HydrophobicContact CB-CB 3.76Å; C68-C85 WeakPolarHBondContact CB-SG 3.39Å; C68-C85 WeakPolarHBondContact SG-CB 3.39Å; C68-C85 CovalentContact SG-SG 2.03Å; C68-C85 PolarHBondContact SG-SG 2.86Å
69	Q	85.7	Confident	79.7	Confident	54 Å²	54	48.2 Å²	48.2	25%	0.252	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-63.9	158.8	171.6	-80.2	-75.1	12.4	0	0	111.6	L54 F56 K58 G71 Y72	L54-Q69 WeakPolarHBondContact O-CG 3.47Å; L54-Q69 PolarHBondContact O-NE2 2.75Å; F56-Q69 PolarHBondContact O-N 2.96Å; K58-Q69 HydrophobicContact CB-CG 4.33Å; K58-Q69 HydrophobicContact CG-CG 4.46Å; Q69-G71 PolarHBondContact O-N 3.13Å; Q69-Y72 HydrophobicContact CB-CD2 3.52Å; Q69-Y72 HydrophobicContact CB-CE2 3.98Å; Q69-Y72 HydrophobicContact CB-CG 4.2Å; Q69-Y72 WeakPolarHBondContact O-CB 3.5Å; Q69-Y72 PolarHBondContact O-N 3.18Å
70	S	80.6	Confident	78.9	Confident	69 Å²	69	47.1 Å²	47.1	48%	0.483	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	128.9	173.3	-57.4	0	0	0	0	109.8
71	G	77.3	Confident	78.3	Confident	4 Å²	4	48.9 Å²	48.9	4%	0.041	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	2.9	-172	0	0	0	0	0	114.9	Q69 C88	Q69-G71 PolarHBondContact O-N 3.13Å; G71-C88 VanDerWaalsContact O-CB 3.26Å; G71-C88 WeakPolarHBondContact O-CB 3.04Å; G71-C88 PolarHBondContact O-N 3.35Å; G71-C88 PolarHBondContact O-SG 2.97Å
72	Y	85.2	Confident	77.9	Confident	19 Å²	19	46.3 Å²	46.3	8%	0.075	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.3	178.3	-63.7	-107.4	0	0	0	111.2	T55 F56 C68 Q69 T86 Q87	T55-Y72 VanDerWaalsContact O-CE1 3.23Å; T55-Y72 WeakPolarHBondContact O-CE1 3.39Å; T55-Y72 WeakPolarHBondContact O-CE2 3.43Å; T55-Y72 PolarHBondContact O-OH 3.47Å; F56-Y72 HydrophobicContact CB-CD1 4.42Å; F56-Y72 AromaticContact CD1-CD1 3.72Å; F56-Y72 HydrophobicContact CD1-CD1 3.72Å; F56-Y72 AromaticContact CD1-CE1 3.66Å; F56-Y72 HydrophobicContact CD1-CE1 3.66Å; F56-Y72 HydrophobicContact CE1-CD1 4.43Å; F56-Y72 HydrophobicContact CE1-CE1 4.08Å; F56-Y72 HydrophobicContact CG-CD1 4.42Å; F56-Y72 HydrophobicContact CG-CE1 4.31Å; C68-Y72 WeakPolarHBondContact CB-O 3.31Å; Q69-Y72 HydrophobicContact CB-CD2 3.52Å; Q69-Y72 HydrophobicContact CB-CE2 3.98Å; Q69-Y72 HydrophobicContact CB-CG 4.2Å; Q69-Y72 WeakPolarHBondContact O-CB 3.5Å; Q69-Y72 PolarHBondContact O-N 3.18Å; Y72-T86 CarbonylContact C-O 3.59Å; Y72-T86 WeakPolarHBondContact CA-O 3.42Å; Y72-Q87 VanDerWaalsContact CD1-CA 3.43Å; Y72-Q87 HydrophobicContact CD1-CB 3.7Å; Y72-Q87 HydrophobicContact CD1-CG 4.08Å; Y72-Q87 HydrophobicContact CE1-CB 3.39Å; Y72-Q87 HydrophobicContact CE1-CG 3.55Å; Y72-Q87 HydrophobicContact CE2-CG 4.13Å; Y72-Q87 PolarHBondContact OH-OE1 2.69Å
73	K	80.7	Confident	77.8	Confident	75 Å²	75	42.5 Å²	42.5	33%	0.326	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	152.9	175.1	69.3	173.2	-177.1	176.9	0	111.7	C85 T86 V94 G98	K73-C85 CarbonylContact O-C 3.46Å; K73-C85 WeakPolarHBondContact O-CA 3.31Å; K73-T86 WeakPolarHBondContact CE-OG1 3.18Å; K73-T86 WeakPolarHBondContact CG-OG1 3.31Å; K73-T86 PolarHBondContact N-O 3.24Å; K73-T86 PolarHBondContact O-N 2.88Å; K73-V94 HydrophobicContact CB-CG1 4.41Å; K73-G98 CarbonylContact C-O 3.55Å; K73-G98 WeakPolarHBondContact CA-O 3.19Å
74	T	80.3	Confident	77.6	Confident	25 Å²	25	45.9 Å²	45.9	15%	0.153	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	121.5	179.4	-46.1	0	0	0	0	109.6	C68 N77 V83 G98	C68-T74 PolarHBondContact SG-OG1 3.42Å; T74-N77 HydrophobicContact CG2-CB 3.69Å; T74-V83 HydrophobicContact CG2-CG1 4.44Å; T74-G98 WeakPolarHBondContact CB-O 3.33Å; T74-G98 PolarHBondContact N-O 2.03Å; T74-G98 PolarHBondContact OG1-O 2.77Å
75	I	78.3	Confident	77.7	Confident	107 Å²	107	43.6 Å²	43.6	55%	0.549	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-41.6	174.4	-54.7	178.8	0	0	0	110.1	E84 T86	I75-E84 PolarHBondContact N-O 2.03Å; I75-T86 HydrophobicContact CD1-CG2 3.57Å; I75-T86 WeakPolarHBondContact CD1-OG1 3.39Å; I75-T86 HydrophobicContact CG1-CG2 4.43Å; I75-T86 WeakPolarHBondContact CG1-OG1 3.34Å
76	K	71.1	Confident	77.8	Confident	74 Å²	74	44.2 Å²	44.2	32%	0.322	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	133.7	-173.2	172.2	175.1	149.2	-160	0	108.3	F78 V83 E84	K76-F78 HydrophobicContact CD-CD2 3.78Å; K76-F78 HydrophobicContact CD-CE2 3.45Å; K76-F78 VanDerWaalsContact CD-CE2 3.45Å; K76-F78 HydrophobicContact CG-CD2 3.46Å; K76-F78 VanDerWaalsContact CG-CD2 3.46Å; K76-F78 HydrophobicContact CG-CE2 3.33Å; K76-F78 HydrophobicContact CG-CZ 4.29Å; K76-V83 CarbonylContact O-C 3.53Å; K76-V83 WeakPolarHBondContact O-CA 3.37Å; K76-E84 HydrophobicContact CB-CB 4.23Å; K76-E84 WeakPolarHBondContact CE-OE1 3.23Å; K76-E84 IonicContact NZ-OE1 2.78Å; K76-E84 PolarHBondContact NZ-OE1 2.7Å; K76-E84 PolarHBondContact O-N 2.86Å
77	N	67.3	Low	77.7	Confident	98 Å²	98	48.7 Å²	48.7	52%	0.524	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	95.3	177.3	-176.1	-7.5	0	0	0	109.5	T74 G79 V83	T74-N77 HydrophobicContact CG2-CB 3.69Å; N77-G79 PolarHBondContact OD1-N 2.89Å; N77-V83 WeakPolarHBondContact OD1-CG2 3.24Å
78	F	63.1	Low	77.5	Confident	64 Å²	64	46 Å²	46	28%	0.281	24%	0.244	S	C	.	.			trans	-100	14.8	170.2	-62	-65.1	0	0	0	111.6	K76 N82 Y248	K76-F78 HydrophobicContact CD-CD2 3.78Å; K76-F78 HydrophobicContact CD-CE2 3.45Å; K76-F78 VanDerWaalsContact CD-CE2 3.45Å; K76-F78 HydrophobicContact CG-CD2 3.46Å; K76-F78 VanDerWaalsContact CG-CD2 3.46Å; K76-F78 HydrophobicContact CG-CE2 3.33Å; K76-F78 HydrophobicContact CG-CZ 4.29Å; F78-N82 HydrophobicContact CB-CB 3.77Å; F78-N82 PolarHBondContact N-O 3.33Å; F78-Y248 HydrophobicContact CD1-CD1 4.46Å
79	G	63.8	Low	77.2	Confident	19 Å²	19	52.8 Å²	52.8	20%	0.196	27%	0.271	C	S	.	.	S	Bend	trans	71.7	167.8	-177.2	0	0	0	0	0	114.5	N77 N81 N82	N77-G79 PolarHBondContact OD1-N 2.89Å; G79-N81 PolarHBondContact O-N 3.03Å; G79-N82 PolarHBondContact O-N 3.06Å; G79-N82 VanDerWaalsContact O-N 3.08Å
80	G	68.9	Low	76.7	Confident	9 Å²	9	56.6 Å²	56.6	9%	0.093	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	-127.7	-175.6	0	0	0	0	0	112.5	Y39	Y39-G80 VanDerWaalsContact CZ-CA 3.42Å; Y39-G80 WeakPolarHBondContact OH-CA 3.02Å
81	N	71.1	Confident	76.5	Confident	48 Å²	48	54.6 Å²	54.6	26%	0.257	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-11.8	175.5	67.5	-23.4	0	0	0	113.7	Y39 S51 G79 V83	Y39-N81 HydrophobicContact CE1-CB 4.1Å; Y39-N81 PolarHBondContact OH-N 2.85Å; S51-N81 WeakPolarHBondContact CB-O 2.98Å; S51-N81 PolarHBondContact OG-O 3.05Å; S51-N81 VanDerWaalsContact OG-O 3.12Å; G79-N81 PolarHBondContact O-N 3.03Å; N81-V83 PolarHBondContact O-N 2.77Å
82	N	73	Confident	76.6	Confident	58 Å²	58	56 Å²	56	31%	0.31	29%	0.289	S	S	.	.			trans	-87.6	46.8	-176.9	-70.8	-25.2	0	0	0	112	F78 G79	F78-N82 HydrophobicContact CB-CB 3.77Å; F78-N82 PolarHBondContact N-O 3.33Å; G79-N82 PolarHBondContact O-N 3.06Å; G79-N82 VanDerWaalsContact O-N 3.08Å
83	V	77.4	Confident	76.3	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	138.6	172.2	-175.4	0	0	0	0	107.7	S51 Q57 C66 T74 K76 N77 N81	S51-V83 PolarHBondContact OG-O 3.05Å; Q57-V83 VanDerWaalsContact NE2-C 3.28Å; Q57-V83 PolarHBondContact NE2-O 2.78Å; C66-V83 WeakPolarHBondContact O-CG2 3.37Å; T74-V83 HydrophobicContact CG2-CG1 4.44Å; K76-V83 CarbonylContact O-C 3.53Å; K76-V83 WeakPolarHBondContact O-CA 3.37Å; N77-V83 WeakPolarHBondContact OD1-CG2 3.24Å; N81-V83 PolarHBondContact O-N 2.77Å
84	E	81.1	Confident	76.1	Confident	74 Å²	74	53.3 Å²	53.3	35%	0.346	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	128.4	177.6	-67.1	170.9	-155.6	0	0	109.6	I75 K76	I75-E84 PolarHBondContact N-O 2.03Å; K76-E84 HydrophobicContact CB-CB 4.23Å; K76-E84 WeakPolarHBondContact CE-OE1 3.23Å; K76-E84 IonicContact NZ-OE1 2.78Å; K76-E84 PolarHBondContact NZ-OE1 2.7Å; K76-E84 PolarHBondContact O-N 2.86Å
85	C	86.1	Confident	75.6	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	149.3	-171	-53.6	0	0	0	0	111.4	Q52 F56 Q57 C68 K73	Q52-C85 PolarHBondContact NE2-O 2.83Å; Q52-C85 PolarHBondContact OE1-O 2.87Å; F56-C85 HydrophobicContact CB-CB 4.22Å; Q57-C85 HydrophobicContact CG-CB 4.37Å; C68-C85 WeakPolarHBondContact CA-SG 3.43Å; C68-C85 HydrophobicContact CB-CB 3.76Å; C68-C85 WeakPolarHBondContact CB-SG 3.39Å; C68-C85 WeakPolarHBondContact SG-CB 3.39Å; C68-C85 CovalentContact SG-SG 2.03Å; C68-C85 PolarHBondContact SG-SG 2.86Å; K73-C85 CarbonylContact O-C 3.46Å; K73-C85 WeakPolarHBondContact O-CA 3.31Å
86	T	85.3	Confident	75	Confident	48 Å²	48	54.6 Å²	54.6	29%	0.294	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	145.6	175.1	32.6	0	0	0	0	111.9	Y72 K73 I75	Y72-T86 CarbonylContact C-O 3.59Å; Y72-T86 WeakPolarHBondContact CA-O 3.42Å; K73-T86 WeakPolarHBondContact CE-OG1 3.18Å; K73-T86 WeakPolarHBondContact CG-OG1 3.31Å; K73-T86 PolarHBondContact N-O 3.24Å; K73-T86 PolarHBondContact O-N 2.88Å; I75-T86 HydrophobicContact CD1-CG2 3.57Å; I75-T86 WeakPolarHBondContact CD1-OG1 3.39Å; I75-T86 HydrophobicContact CG1-CG2 4.43Å; I75-T86 WeakPolarHBondContact CG1-OG1 3.34Å
87	Q	83.1	Confident	74.5	Confident	95 Å²	95	53.1 Å²	53.1	44%	0.444	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	143.6	-175.1	-160	-176.9	-24.7	0	0	112.9	Y72	Y72-Q87 VanDerWaalsContact CD1-CA 3.43Å; Y72-Q87 HydrophobicContact CD1-CB 3.7Å; Y72-Q87 HydrophobicContact CD1-CG 4.08Å; Y72-Q87 HydrophobicContact CE1-CB 3.39Å; Y72-Q87 HydrophobicContact CE1-CG 3.55Å; Y72-Q87 HydrophobicContact CE2-CG 4.13Å; Y72-Q87 PolarHBondContact OH-OE1 2.69Å
88	C	82	Confident	74.6	Confident	8 Å²	8	49.2 Å²	49.2	5%	0.054	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-81.1	159.2	165.6	-59.7	0	0	0	0	112.1	G71 E92 C101	G71-C88 VanDerWaalsContact O-CB 3.26Å; G71-C88 WeakPolarHBondContact O-CB 3.04Å; G71-C88 PolarHBondContact O-N 3.35Å; G71-C88 PolarHBondContact O-SG 2.97Å; C88-E92 HydrophobicContact CB-CB 4.16Å; C88-C101 WeakPolarHBondContact CA-SG 3.35Å; C88-C101 HydrophobicContact CB-CB 3.43Å; C88-C101 VanDerWaalsContact CB-CB 3.43Å; C88-C101 WeakPolarHBondContact CB-SG 3.07Å; C88-C101 VanDerWaalsContact SG-CA 3.54Å; C88-C101 WeakPolarHBondContact SG-CB 3.34Å; C88-C101 CovalentContact SG-SG 2.02Å; C88-C101 PolarHBondContact SG-SG 3.47Å
89	K	79.5	Confident	74.9	Confident	159 Å²	159	48.2 Å²	48.2	69%	0.691	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-73.1	158.8	179.2	-59.7	174.5	-180	172.8	0	111	G91 E92	K89-G91 PolarHBondContact O-N 2.92Å; K89-E92 HydrophobicContact CB-CG 4.22Å; K89-E92 PolarHBondContact N-OE2 2.78Å; K89-E92 VanDerWaalsContact O-CB 3.29Å; K89-E92 WeakPolarHBondContact O-CB 3.42Å; K89-E92 PolarHBondContact O-N 3.22Å
90	D	76.3	Confident	75.2	Confident	134 Å²	134	49.6 Å²	49.6	72%	0.717	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	133.2	176.1	-75.4	-25.9	0	0	0	111.2
91	G	75.3	Confident	75.6	Confident	27 Å²	27	50.3 Å²	50.3	28%	0.278	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	-7.3	-170.4	0	0	0	0	0	114.8	K89 P103 C104	K89-G91 PolarHBondContact O-N 2.92Å; G91-P103 WeakPolarHBondContact O-CA 3.45Å; G91-C104 PolarHBondContact O-N 2.03Å
92	E	80.7	Confident	75.7	Confident	35 Å²	35	48 Å²	48	16%	0.164	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	150.1	176.1	-56	178.5	166	0	0	112.4	C88 K89 C101 I102 P103	C88-E92 HydrophobicContact CB-CB 4.16Å; K89-E92 HydrophobicContact CB-CG 4.22Å; K89-E92 PolarHBondContact N-OE2 2.78Å; K89-E92 VanDerWaalsContact O-CB 3.29Å; K89-E92 WeakPolarHBondContact O-CB 3.42Å; K89-E92 PolarHBondContact O-N 3.22Å; E92-C101 WeakPolarHBondContact OE2-CB 3.38Å; E92-I102 CarbonylContact C-O 3.43Å; E92-I102 WeakPolarHBondContact CA-O 3.01Å; E92-I102 WeakPolarHBondContact CB-O 3.2Å; E92-P103 HydrophobicContact CG-CB 4.46Å; E92-P103 HydrophobicContact CG-CG 4.1Å
93	T	77.7	Confident	75.9	Confident	14 Å²	14	47.3 Å²	47.3	9%	0.086	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	161.1	165.7	-170.8	0	0	0	0	110.1	C101 I102 R114 C116 Y127	T93-C101 CarbonylContact O-C 3.4Å; T93-C101 WeakPolarHBondContact O-CA 3.03Å; T93-I102 PolarHBondContact N-O 3.33Å; T93-I102 PolarHBondContact O-N 3.46Å; T93-R114 PolarHBondContact OG1-O 3.06Å; T93-C116 WeakPolarHBondContact CG2-SG 3.25Å; T93-Y127 HydrophobicContact CG2-CE1 4.2Å
94	V	76.8	Confident	75.9	Confident	23 Å²	23	47.8 Å²	47.8	14%	0.139	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	146.1	168.2	-167.5	0	0	0	0	109.1	K73 F100	K73-V94 HydrophobicContact CB-CG1 4.41Å; V94-F100 WeakPolarHBondContact CA-O 3.3Å
95	S	70.7	Confident	75.6	Confident	6 Å²	6	50.4 Å²	50.4	4%	0.042	26%	0.263	C	S	.	.			trans	-59.9	153.8	166.7	59.3	0	0	0	0	112.1	D97 G98 L99 F100	S95-D97 VanDerWaalsContact CB-OD1 3.25Å; S95-D97 WeakPolarHBondContact CB-OD1 3.32Å; S95-D97 PolarHBondContact O-N 3.47Å; S95-D97 VanDerWaalsContact O-N 3.13Å; S95-D97 PolarHBondContact OG-OD1 2.94Å; S95-G98 PolarHBondContact O-N 2.72Å; S95-L99 PolarHBondContact OG-N 3.12Å; S95-L99 VanDerWaalsContact OG-N 3.16Å; S95-F100 VanDerWaalsContact CB-CZ 3.45Å; S95-F100 PolarHBondContact N-O 2.78Å; S95-F100 WeakPolarHBondContact OG-CD1 3.15Å; S95-F100 PolarHBondContact OG-N 3.42Å; S95-F100 PolarHBondContact OG-O 3.34Å
96	E	64.3	Low	75	Confident	152 Å²	152	55.1 Å²	55.1	71%	0.71	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-27.2	178.5	-78.6	-173	169	0	0	113.6	G98 Y127	E96-G98 VanDerWaalsContact C-N 3.28Å; E96-Y127 HydrophobicContact CG-CE2 4.4Å
97	D	61.7	Low	74.4	Confident	44 Å²	44	57 Å²	57	24%	0.235	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-6.4	177.8	69.6	-12	0	0	0	114.5	S95 L99 F100 R158 R162	S95-D97 VanDerWaalsContact CB-OD1 3.25Å; S95-D97 WeakPolarHBondContact CB-OD1 3.32Å; S95-D97 PolarHBondContact O-N 3.47Å; S95-D97 VanDerWaalsContact O-N 3.13Å; S95-D97 PolarHBondContact OG-OD1 2.94Å; D97-L99 HydrophobicContact CB-CD1 4.42Å; D97-L99 HydrophobicContact CB-CG 4.41Å; D97-L99 PolarHBondContact OD1-N 3.33Å; D97-L99 VanDerWaalsContact OD2-CD1 3.24Å; D97-L99 WeakPolarHBondContact OD2-CD1 3.39Å; D97-F100 WeakPolarHBondContact OD1-CE1 3.27Å; D97-R158 VanDerWaalsContact CB-NH2 3.32Å; D97-R162 PolarHBondContact O-NH2 3.12Å
98	G	69.4	Low	74.1	Confident	15 Å²	15	53.2 Å²	53.2	16%	0.155	32%	0.315	C	S	.	.	S	Bend	trans	79.2	13.3	177.7	0	0	0	0	0	114.5	K73 T74 S95 E96	K73-G98 CarbonylContact C-O 3.55Å; K73-G98 WeakPolarHBondContact CA-O 3.19Å; T74-G98 WeakPolarHBondContact CB-O 3.33Å; T74-G98 PolarHBondContact N-O 2.03Å; T74-G98 PolarHBondContact OG1-O 2.77Å; S95-G98 PolarHBondContact O-N 2.72Å; E96-G98 VanDerWaalsContact C-N 3.28Å
99	L	68.8	Low	73.8	Confident	43 Å²	43	56.2 Å²	56.2	23%	0.225	33%	0.326	C	S	.	.	S	Bend	trans	-104.2	-20.8	-165.5	-60.6	178.8	0	0	0	115	S95 D97	S95-L99 PolarHBondContact OG-N 3.12Å; S95-L99 VanDerWaalsContact OG-N 3.16Å; D97-L99 HydrophobicContact CB-CD1 4.42Å; D97-L99 HydrophobicContact CB-CG 4.41Å; D97-L99 PolarHBondContact OD1-N 3.33Å; D97-L99 VanDerWaalsContact OD2-CD1 3.24Å; D97-L99 WeakPolarHBondContact OD2-CD1 3.39Å
100	F	69.3	Low	73.5	Confident	49 Å²	49	53 Å²	53	22%	0.215	31%	0.314	C	S	.	.			trans	-147.6	167.6	-178.8	50.4	-81.6	0	0	0	112.9	V94 S95 D97 I102 L128	V94-F100 WeakPolarHBondContact CA-O 3.3Å; S95-F100 VanDerWaalsContact CB-CZ 3.45Å; S95-F100 PolarHBondContact N-O 2.78Å; S95-F100 WeakPolarHBondContact OG-CD1 3.15Å; S95-F100 PolarHBondContact OG-N 3.42Å; S95-F100 PolarHBondContact OG-O 3.34Å; D97-F100 WeakPolarHBondContact OD1-CE1 3.27Å; F100-I102 HydrophobicContact CD2-CD1 3.41Å; F100-I102 VanDerWaalsContact CD2-CD1 3.41Å; F100-I102 HydrophobicContact CD2-CG1 3.74Å; F100-I102 HydrophobicContact CE2-CD1 3.24Å; F100-I102 HydrophobicContact CE2-CG1 4.09Å; F100-I102 HydrophobicContact CZ-CD1 4.47Å; F100-L128 HydrophobicContact CD2-CD2 3.82Å; F100-L128 HydrophobicContact CD2-CG 4.46Å; F100-L128 HydrophobicContact CE1-CD1 4.23Å; F100-L128 HydrophobicContact CE2-CD1 3.87Å; F100-L128 HydrophobicContact CE2-CD2 3.39Å; F100-L128 HydrophobicContact CE2-CG 3.56Å; F100-L128 HydrophobicContact CZ-CD1 3.58Å; F100-L128 HydrophobicContact CZ-CD2 4.01Å; F100-L128 HydrophobicContact CZ-CG 3.78Å
101	C	77.4	Confident	73.3	Confident	24 Å²	24	50.1 Å²	50.1	16%	0.162	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.5	-173.9	-61.2	0	0	0	0	110.9	C88 E92 T93	C88-C101 WeakPolarHBondContact CA-SG 3.35Å; C88-C101 HydrophobicContact CB-CB 3.43Å; C88-C101 VanDerWaalsContact CB-CB 3.43Å; C88-C101 WeakPolarHBondContact CB-SG 3.07Å; C88-C101 VanDerWaalsContact SG-CA 3.54Å; C88-C101 WeakPolarHBondContact SG-CB 3.34Å; C88-C101 CovalentContact SG-SG 2.02Å; C88-C101 PolarHBondContact SG-SG 3.47Å; E92-C101 WeakPolarHBondContact OE2-CB 3.38Å; T93-C101 CarbonylContact O-C 3.4Å; T93-C101 WeakPolarHBondContact O-CA 3.03Å
102	I	74.2	Confident	72.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	137.4	-170.6	-58.6	164.8	0	0	0	112.4	E92 T93 F100 Y127	E92-I102 CarbonylContact C-O 3.43Å; E92-I102 WeakPolarHBondContact CA-O 3.01Å; E92-I102 WeakPolarHBondContact CB-O 3.2Å; T93-I102 PolarHBondContact N-O 3.33Å; T93-I102 PolarHBondContact O-N 3.46Å; F100-I102 HydrophobicContact CD2-CD1 3.41Å; F100-I102 VanDerWaalsContact CD2-CD1 3.41Å; F100-I102 HydrophobicContact CD2-CG1 3.74Å; F100-I102 HydrophobicContact CE2-CD1 3.24Å; F100-I102 HydrophobicContact CE2-CG1 4.09Å; F100-I102 HydrophobicContact CZ-CD1 4.47Å; I102-Y127 HydrophobicContact CD1-CD1 3.73Å; I102-Y127 HydrophobicContact CD1-CG 3.65Å; I102-Y127 VanDerWaalsContact CD1-O 3.3Å; I102-Y127 WeakPolarHBondContact CD1-O 3.12Å; I102-Y127 HydrophobicContact CG2-CD1 4.38Å
103	P	77.9	Confident	72.3	Confident	42 Å²	42	55.5 Å²	55.5	27%	0.273	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	137.4	176.3	-18.9	30.9	0	0	0	113.1	G91 E92 A136 S137 Q138	G91-P103 WeakPolarHBondContact O-CA 3.45Å; E92-P103 HydrophobicContact CG-CB 4.46Å; E92-P103 HydrophobicContact CG-CG 4.1Å; P103-A136 VanDerWaalsContact CB-O 3.27Å; P103-A136 WeakPolarHBondContact CB-O 3.31Å; P103-A136 WeakPolarHBondContact CG-O 3.25Å; P103-S137 VanDerWaalsContact O-CA 3.24Å; P103-S137 WeakPolarHBondContact O-CA 3.18Å; P103-Q138 PolarHBondContact O-N 2.8Å
104	C	75.9	Confident	72.2	Confident	12 Å²	12	58.9 Å²	58.9	8%	0.081	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-68.4	156.1	170.3	-73.1	0	0	0	0	111.4	G91 Y109 C116	G91-C104 PolarHBondContact O-N 2.03Å; C104-Y109 HydrophobicContact CB-CD2 4.09Å; C104-Y109 HydrophobicContact CB-CG 4.49Å; C104-C116 WeakPolarHBondContact CA-SG 3.5Å; C104-C116 HydrophobicContact CB-CB 3.93Å; C104-C116 WeakPolarHBondContact CB-SG 3.37Å; C104-C116 VanDerWaalsContact SG-CA 3.58Å; C104-C116 WeakPolarHBondContact SG-CB 3.08Å; C104-C116 CovalentContact SG-SG 2.03Å; C104-C116 PolarHBondContact SG-SG 3.31Å
105	K	76.4	Confident	72.1	Confident	129 Å²	129	59.4 Å²	59.4	56%	0.561	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-55.7	142.2	168.3	-175.8	179	177.8	-178.7	0	109.5	G107 S108 Q138	K105-G107 PolarHBondContact O-N 2.92Å; K105-G107 VanDerWaalsContact O-N 3.16Å; K105-S108 WeakPolarHBondContact CB-OG 3.45Å; K105-S108 PolarHBondContact N-OG 3.04Å; K105-S108 PolarHBondContact O-N 3.16Å; K105-S108 PolarHBondContact O-OG 3.04Å; K105-Q138 HydrophobicContact CB-CB 4.46Å
106	A	72.3	Confident	72.5	Confident	98 Å²	98	60.1 Å²	60.1	81%	0.81	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	124.5	179.9	0	0	0	0	0	111.1	S108	A106-S108 VanDerWaalsContact C-N 3.29Å; A106-S108 PolarHBondContact O-N 3.18Å
107	G	72.1	Confident	72.9	Confident	89 Å²	89	56 Å²	56	92%	0.918	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-6.3	-177.2	0	0	0	0	0	116.2	K105	K105-G107 PolarHBondContact O-N 2.92Å; K105-G107 VanDerWaalsContact O-N 3.16Å
108	S	76.8	Confident	72.9	Confident	15 Å²	15	59.6 Å²	59.6	11%	0.105	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-7.8	175.2	78.1	0	0	0	0	114	K105 A106 M110 C116 S117	K105-S108 WeakPolarHBondContact CB-OG 3.45Å; K105-S108 PolarHBondContact N-OG 3.04Å; K105-S108 PolarHBondContact O-N 3.16Å; K105-S108 PolarHBondContact O-OG 3.04Å; A106-S108 VanDerWaalsContact C-N 3.29Å; A106-S108 PolarHBondContact O-N 3.18Å; S108-M110 PolarHBondContact O-N 3.34Å; S108-C116 WeakPolarHBondContact O-CA 3.38Å; S108-S117 WeakPolarHBondContact CB-OG 3.21Å
109	Y	76.8	Confident	72.6	Confident	70 Å²	70	60.4 Å²	60.4	28%	0.275	39%	0.39	S	S	.	.			trans	-69.6	112.3	179.6	-175.1	-111.6	0	0	0	111.1	C104 A111	C104-Y109 HydrophobicContact CB-CD2 4.09Å; C104-Y109 HydrophobicContact CB-CG 4.49Å; Y109-A111 HydrophobicContact CD1-CB 4.11Å; Y109-A111 VanDerWaalsContact CE1-CA 3.47Å; Y109-A111 HydrophobicContact CE1-CB 3.76Å; Y109-A111 PolarHBondContact O-N 3.42Å
110	M	72.7	Confident	72	Confident	92 Å²	92	62.1 Å²	62.1	45%	0.453	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-87.3	97.2	169.7	-62.6	-167.1	-60.7	0	0	108.8	S108 A112 T113 R114 S115	S108-M110 PolarHBondContact O-N 3.34Å; M110-A112 PolarHBondContact O-N 3.27Å; M110-T113 VanDerWaalsContact CB-OG1 3.25Å; M110-T113 WeakPolarHBondContact CB-OG1 3.28Å; M110-T113 WeakPolarHBondContact CE-OG1 3.4Å; M110-T113 PolarHBondContact O-N 3.11Å; M110-T113 PolarHBondContact O-OG1 3.39Å; M110-R114 WeakPolarHBondContact O-CA 3.35Å; M110-R114 PolarHBondContact O-N 2.96Å; M110-S115 WeakPolarHBondContact CB-O 3.03Å; M110-S115 WeakPolarHBondContact CE-OG 3.07Å; M110-S115 PolarHBondContact N-O 3.04Å; M110-S115 PolarHBondContact O-N 2.98Å
111	A	72.1	Confident	70.8	Confident	73 Å²	73	64.3 Å²	64.3	60%	0.603	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-30.6	-179.5	0	0	0	0	0	113.4	Y109	Y109-A111 HydrophobicContact CD1-CB 4.11Å; Y109-A111 VanDerWaalsContact CE1-CA 3.47Å; Y109-A111 HydrophobicContact CE1-CB 3.76Å; Y109-A111 PolarHBondContact O-N 3.42Å
112	A	67.7	Low	69.5	Low	106 Å²	106	69.9 Å²	69.9	88%	0.876	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-34.3	179	0	0	0	0	0	113.6	M110	M110-A112 PolarHBondContact O-N 3.27Å
113	T	67.7	Low	68.7	Low	70 Å²	70	71 Å²	71	43%	0.429	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-7	-178.1	54	0	0	0	0	113.4	M110 S115	M110-T113 VanDerWaalsContact CB-OG1 3.25Å; M110-T113 WeakPolarHBondContact CB-OG1 3.28Å; M110-T113 WeakPolarHBondContact CE-OG1 3.4Å; M110-T113 PolarHBondContact O-N 3.11Å; M110-T113 PolarHBondContact O-OG1 3.39Å; T113-S115 VanDerWaalsContact C-N 3.26Å; T113-S115 WeakPolarHBondContact CB-OG 3.2Å; T113-S115 PolarHBondContact O-N 3.09Å; T113-S115 PolarHBondContact OG1-OG 3.14Å
114	R	75.9	Confident	67.8	Low	85 Å²	85	69.7 Å²	69.7	32%	0.321	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	43.9	-168.8	-60.6	-178.4	170.5	161.5	-4.9	112.1	T93 M110	T93-R114 PolarHBondContact OG1-O 3.06Å; M110-R114 WeakPolarHBondContact O-CA 3.35Å; M110-R114 PolarHBondContact O-N 2.96Å
115	S	75.3	Confident	67.1	Low	34 Å²	34	70.9 Å²	70.9	24%	0.238	46%	0.461	C	S	.	.	B	Isolated β-bridge	trans	-137.4	168.6	-177	70.6	0	0	0	0	113.4	M110 T113	M110-S115 WeakPolarHBondContact CB-O 3.03Å; M110-S115 WeakPolarHBondContact CE-OG 3.07Å; M110-S115 PolarHBondContact N-O 3.04Å; M110-S115 PolarHBondContact O-N 2.98Å; T113-S115 VanDerWaalsContact C-N 3.26Å; T113-S115 WeakPolarHBondContact CB-OG 3.2Å; T113-S115 PolarHBondContact O-N 3.09Å; T113-S115 PolarHBondContact OG1-OG 3.14Å
116	C	77.5	Confident	66.3	Low	21 Å²	21	65.8 Å²	65.8	14%	0.142	44%	0.441	C	S	.	.			trans	-109.6	169.8	179	-34.4	0	0	0	0	113.6	T93 C104 S108	T93-C116 WeakPolarHBondContact CG2-SG 3.25Å; C104-C116 WeakPolarHBondContact CA-SG 3.5Å; C104-C116 HydrophobicContact CB-CB 3.93Å; C104-C116 WeakPolarHBondContact CB-SG 3.37Å; C104-C116 VanDerWaalsContact SG-CA 3.58Å; C104-C116 WeakPolarHBondContact SG-CB 3.08Å; C104-C116 CovalentContact SG-SG 2.03Å; C104-C116 PolarHBondContact SG-SG 3.31Å; S108-C116 WeakPolarHBondContact O-CA 3.38Å
117	S	73.7	Confident	65.8	Low	66 Å²	66	62.8 Å²	62.8	46%	0.462	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-78.2	157.8	177.1	60.8	0	0	0	0	115.1	S108 Q138	S108-S117 WeakPolarHBondContact CB-OG 3.21Å; S117-Q138 PolarHBondContact O-NE2 2.71Å
118	S	60.7	Low	65.2	Low	118 Å²	118	61.3 Å²	61.3	83%	0.825	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-79.3	152.2	-174.1	53.9	0	0	0	0	116.7
119	C	64.3	Low	64.4	Low	32 Å²	32	63.5 Å²	63.5	22%	0.216	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-92.4	161.7	179	-76.4	0	0	0	0	114.8	S125 C140	C119-S125 VanDerWaalsContact SG-CA 3.56Å; C119-S125 PolarHBondContact SG-OG 3.34Å; C119-C140 HydrophobicContact CB-CB 3.87Å; C119-C140 WeakPolarHBondContact CB-SG 3.4Å; C119-C140 WeakPolarHBondContact SG-CB 3.1Å; C119-C140 CovalentContact SG-SG 2.04Å; C119-C140 PolarHBondContact SG-SG 2.88Å
120	P	55.3	Low	63.2	Low	79 Å²	79	69.2 Å²	69.2	51%	0.513	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-67.8	160.7	175.4	-18.9	31.7	0	0	0	116.1	D122 S123	P120-D122 PolarHBondContact O-N 2.91Å; P120-S123 WeakPolarHBondContact CD-OG 3.44Å; P120-S123 PolarHBondContact O-N 3.44Å; P120-S123 VanDerWaalsContact O-O 3.05Å; P120-S123 PolarHBondContact O-OG 2.99Å
121	S	45.2	Very low	62.3	Low	95 Å²	95	69 Å²	69	66%	0.664	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-11.6	-164.9	41.7	0	0	0	0	118.5	N152	S121-N152 VanDerWaalsContact O-CG 3.23Å; S121-N152 PolarHBondContact O-ND2 2.04Å; S121-N152 PolarHBondContact O-OD1 3.14Å; S121-N152 VanDerWaalsContact O-OD1 3.07Å
122	D	49.4	Very low	61.2	Low	141 Å²	141	67.9 Å²	67.9	75%	0.754	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	8.9	178	57.4	-26.3	0	0	0	112.6	P120	P120-D122 PolarHBondContact O-N 2.91Å
123	S	57.7	Low	60.8	Low	23 Å²	23	65.6 Å²	65.6	16%	0.161	40%	0.4	C	S	.	.	S	Bend	trans	-134.2	141.4	-174.3	66.9	0	0	0	0	111.7	P120 L141	P120-S123 WeakPolarHBondContact CD-OG 3.44Å; P120-S123 PolarHBondContact O-N 3.44Å; P120-S123 VanDerWaalsContact O-O 3.05Å; P120-S123 PolarHBondContact O-OG 2.99Å; S123-L141 WeakPolarHBondContact CA-O 3.35Å
124	V	57.7	Low	59.9	Low	15 Å²	15	66.1 Å²	66.1	9%	0.091	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	145.1	167.1	-83.8	0	0	0	0	111.3	V126 C140 L141 N152 T153	V124-V126 HydrophobicContact CB-CG2 4.12Å; V124-V126 HydrophobicContact CG2-CG2 3.44Å; V124-V126 VanDerWaalsContact CG2-CG2 3.44Å; V124-V126 PolarHBondContact O-N 3.29Å; V124-C140 CarbonylContact O-C 3.58Å; V124-C140 WeakPolarHBondContact O-CA 3.35Å; V124-L141 HydrophobicContact CG2-CB 4.44Å; V124-L141 WeakPolarHBondContact CG2-O 3.42Å; V124-L141 PolarHBondContact N-O 3.23Å; V124-L141 PolarHBondContact O-N 2.99Å; V124-N152 WeakPolarHBondContact CG1-O 3.49Å; V124-T153 HydrophobicContact CG1-CG2 3.63Å
125	S	60.9	Low	59.3	Low	37 Å²	37	63.9 Å²	63.9	26%	0.259	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	119.8	155.9	-57.8	0	0	0	0	109.3	C119	C119-S125 VanDerWaalsContact SG-CA 3.56Å; C119-S125 PolarHBondContact SG-OG 3.34Å
126	V	60.8	Low	58.9	Low	23 Å²	23	66.6 Å²	66.6	14%	0.139	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.7	-179.1	-179.3	0	0	0	0	110.6	V124 L128 L135 T139 L141	V124-V126 HydrophobicContact CB-CG2 4.12Å; V124-V126 HydrophobicContact CG2-CG2 3.44Å; V124-V126 VanDerWaalsContact CG2-CG2 3.44Å; V124-V126 PolarHBondContact O-N 3.29Å; V126-L128 WeakPolarHBondContact CG1-O 3.48Å; V126-L135 HydrophobicContact CG1-CD1 3.88Å; V126-T139 CarbonylContact C-O 3.36Å; V126-T139 WeakPolarHBondContact CA-O 3.47Å; V126-T139 VanDerWaalsContact CB-O 3.24Å; V126-T139 WeakPolarHBondContact CB-O 3.34Å; V126-T139 PolarHBondContact N-O 2.87Å; V126-T139 PolarHBondContact O-N 2.91Å; V126-L141 HydrophobicContact CB-CB 3.97Å; V126-L141 HydrophobicContact CG1-CB 4.41Å; V126-L141 HydrophobicContact CG2-CB 3.25Å; V126-L141 HydrophobicContact CG2-CD2 4.35Å; V126-L141 HydrophobicContact CG2-CG 4.42Å
127	Y	61.8	Low	58.3	Low	35 Å²	35	67.6 Å²	67.6	14%	0.137	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	-21.3	-159.3	-84.1	-45.2	0	0	0	110.2	T93 E96 I102 L135 Q138	T93-Y127 HydrophobicContact CG2-CE1 4.2Å; E96-Y127 HydrophobicContact CG-CE2 4.4Å; I102-Y127 HydrophobicContact CD1-CD1 3.73Å; I102-Y127 HydrophobicContact CD1-CG 3.65Å; I102-Y127 VanDerWaalsContact CD1-O 3.3Å; I102-Y127 WeakPolarHBondContact CD1-O 3.12Å; I102-Y127 HydrophobicContact CG2-CD1 4.38Å; Y127-L135 PolarHBondContact O-N 2.88Å; Y127-Q138 HydrophobicContact CD1-CG 4.38Å; Y127-Q138 HydrophobicContact CE1-CB 4.33Å; Y127-Q138 HydrophobicContact CE1-CG 3.89Å
128	L	60.2	Low	57.8	Low	58 Å²	58	65 Å²	65	30%	0.304	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.9	179.9	-59.2	174.5	0	0	0	108.3	F100 V126 S133 P134 L135	F100-L128 HydrophobicContact CD2-CD2 3.82Å; F100-L128 HydrophobicContact CD2-CG 4.46Å; F100-L128 HydrophobicContact CE1-CD1 4.23Å; F100-L128 HydrophobicContact CE2-CD1 3.87Å; F100-L128 HydrophobicContact CE2-CD2 3.39Å; F100-L128 HydrophobicContact CE2-CG 3.56Å; F100-L128 HydrophobicContact CZ-CD1 3.58Å; F100-L128 HydrophobicContact CZ-CD2 4.01Å; F100-L128 HydrophobicContact CZ-CG 3.78Å; V126-L128 WeakPolarHBondContact CG1-O 3.48Å; L128-S133 CarbonylContact C-O 3.58Å; L128-S133 WeakPolarHBondContact CA-O 3.45Å; L128-P134 HydrophobicContact CD2-CB 4.37Å; L128-P134 HydrophobicContact CD2-CG 4.49Å; L128-L135 WeakPolarHBondContact O-CD1 3.28Å
129	D	59.5	Low	58.2	Low	61 Å²	61	62.5 Å²	62.5	33%	0.326	39%	0.391	S	S	.	.			trans	-78.8	179.7	178.4	71	16	0	0	0	110	S131 G132 S133 L135	D129-S131 VanDerWaalsContact CG-OG 3.27Å; D129-S131 PolarHBondContact O-N 3.31Å; D129-S131 VanDerWaalsContact O-N 3.16Å; D129-S131 VanDerWaalsContact OD1-CA 3.28Å; D129-S131 WeakPolarHBondContact OD1-CA 3.27Å; D129-S131 VanDerWaalsContact OD1-CB 3.3Å; D129-S131 WeakPolarHBondContact OD1-CB 3.22Å; D129-S131 PolarHBondContact OD1-N 3.18Å; D129-S131 PolarHBondContact OD1-OG 3.15Å; D129-S131 PolarHBondContact OD2-OG 2.47Å; D129-G132 PolarHBondContact O-N 3.43Å; D129-G132 PolarHBondContact OD1-N 3.01Å; D129-S133 PolarHBondContact N-O 3.46Å; D129-S133 PolarHBondContact OD1-N 3.24Å; D129-L135 HydrophobicContact CB-CD2 3.53Å; D129-L135 HydrophobicContact CB-CG 3.92Å
130	Q	51.2	Low	58.2	Low	190 Å²	190	63.7 Å²	63.7	89%	0.888	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.6	179.1	-66.7	-178.3	-7	0	0	113.7	G132	Q130-G132 VanDerWaalsContact C-N 3.29Å
131	S	53	Low	58.5	Low	86 Å²	86	63.8 Å²	63.8	60%	0.601	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-2.4	176.3	77.2	0	0	0	0	113.1	D129 S133	D129-S131 VanDerWaalsContact CG-OG 3.27Å; D129-S131 PolarHBondContact O-N 3.31Å; D129-S131 VanDerWaalsContact O-N 3.16Å; D129-S131 VanDerWaalsContact OD1-CA 3.28Å; D129-S131 WeakPolarHBondContact OD1-CA 3.27Å; D129-S131 VanDerWaalsContact OD1-CB 3.3Å; D129-S131 WeakPolarHBondContact OD1-CB 3.22Å; D129-S131 PolarHBondContact OD1-N 3.18Å; D129-S131 PolarHBondContact OD1-OG 3.15Å; D129-S131 PolarHBondContact OD2-OG 2.47Å; S131-S133 PolarHBondContact O-N 3.12Å; S131-S133 VanDerWaalsContact OG-CB 3.29Å; S131-S133 WeakPolarHBondContact OG-CB 3.31Å; S131-S133 PolarHBondContact OG-N 3.3Å; S131-S133 PolarHBondContact OG-OG 3.33Å
132	G	50	Low	58.9	Low	51 Å²	51	62.8 Å²	62.8	53%	0.526	39%	0.392	S	S	.	.	S	Bend	trans	73.6	4	-170.2	0	0	0	0	0	113	D129 Q130	D129-G132 PolarHBondContact O-N 3.43Å; D129-G132 PolarHBondContact OD1-N 3.01Å; Q130-G132 VanDerWaalsContact C-N 3.29Å
133	S	59.1	Low	59.2	Low	57 Å²	57	59 Å²	59	40%	0.399	38%	0.376	S	S	.	.	S	Bend	trans	-72.7	146	170	-59	0	0	0	0	108.8	L128 D129 S131 L135	L128-S133 CarbonylContact C-O 3.58Å; L128-S133 WeakPolarHBondContact CA-O 3.45Å; D129-S133 PolarHBondContact N-O 3.46Å; D129-S133 PolarHBondContact OD1-N 3.24Å; S131-S133 PolarHBondContact O-N 3.12Å; S131-S133 VanDerWaalsContact OG-CB 3.29Å; S131-S133 WeakPolarHBondContact OG-CB 3.31Å; S131-S133 PolarHBondContact OG-N 3.3Å; S131-S133 PolarHBondContact OG-OG 3.33Å; S133-L135 PolarHBondContact O-N 3.44Å
134	P	49.7	Very low	58.9	Low	82 Å²	82	61.9 Å²	61.9	53%	0.532	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	128.7	170.5	-19.1	30.1	0	0	0	110.1	L128	L128-P134 HydrophobicContact CD2-CB 4.37Å; L128-P134 HydrophobicContact CD2-CG 4.49Å
135	L	62.7	Low	58.6	Low	38 Å²	38	69.3 Å²	69.3	20%	0.199	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	146.7	169.9	-80	160.8	0	0	0	108.5	V126 Y127 L128 D129 S133 S137	V126-L135 HydrophobicContact CG1-CD1 3.88Å; Y127-L135 PolarHBondContact O-N 2.88Å; L128-L135 WeakPolarHBondContact O-CD1 3.28Å; D129-L135 HydrophobicContact CB-CD2 3.53Å; D129-L135 HydrophobicContact CB-CG 3.92Å; S133-L135 PolarHBondContact O-N 3.44Å; L135-S137 VanDerWaalsContact CB-O 3.28Å; L135-S137 WeakPolarHBondContact CB-O 3.31Å; L135-S137 PolarHBondContact O-N 3.24Å; L135-S137 VanDerWaalsContact O-N 3.1Å
136	A	67.4	Low	58	Low	91 Å²	91	73.1 Å²	73.1	75%	0.752	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.5	-23.1	171.2	0	0	0	0	0	112.2	P103	P103-A136 VanDerWaalsContact CB-O 3.27Å; P103-A136 WeakPolarHBondContact CB-O 3.31Å; P103-A136 WeakPolarHBondContact CG-O 3.25Å
137	S	64.1	Low	57.8	Low	42 Å²	42	73.4 Å²	73.4	29%	0.294	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	162.2	170.8	65.7	0	0	0	0	113.7	P103 L135 T139	P103-S137 VanDerWaalsContact O-CA 3.24Å; P103-S137 WeakPolarHBondContact O-CA 3.18Å; L135-S137 VanDerWaalsContact CB-O 3.28Å; L135-S137 WeakPolarHBondContact CB-O 3.31Å; L135-S137 PolarHBondContact O-N 3.24Å; L135-S137 VanDerWaalsContact O-N 3.1Å; S137-T139 PolarHBondContact O-N 3.12Å; S137-T139 PolarHBondContact O-OG1 3.42Å
138	Q	62.5	Low	57.5	Low	12 Å²	12	76.2 Å²	76.2	6%	0.056	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.3	127.9	174	-174.2	-164.2	18.3	0	0	113.6	P103 K105 S117 Y127	P103-Q138 PolarHBondContact O-N 2.8Å; K105-Q138 HydrophobicContact CB-CB 4.46Å; S117-Q138 PolarHBondContact O-NE2 2.71Å; Y127-Q138 HydrophobicContact CD1-CG 4.38Å; Y127-Q138 HydrophobicContact CE1-CB 4.33Å; Y127-Q138 HydrophobicContact CE1-CG 3.89Å
139	T	70.8	Confident	57	Low	64 Å²	64	78.5 Å²	78.5	39%	0.393	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	149.9	-178.6	-54.3	0	0	0	0	110.4	V126 S137	V126-T139 CarbonylContact C-O 3.36Å; V126-T139 WeakPolarHBondContact CA-O 3.47Å; V126-T139 VanDerWaalsContact CB-O 3.24Å; V126-T139 WeakPolarHBondContact CB-O 3.34Å; V126-T139 PolarHBondContact N-O 2.87Å; V126-T139 PolarHBondContact O-N 2.91Å; S137-T139 PolarHBondContact O-N 3.12Å; S137-T139 PolarHBondContact O-OG1 3.42Å
140	C	62.9	Low	57	Low	57 Å²	57	79.9 Å²	79.9	39%	0.385	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	135.1	177.3	-42.3	0	0	0	0	111.8	C119 V124	C119-C140 HydrophobicContact CB-CB 3.87Å; C119-C140 WeakPolarHBondContact CB-SG 3.4Å; C119-C140 WeakPolarHBondContact SG-CB 3.1Å; C119-C140 CovalentContact SG-SG 2.04Å; C119-C140 PolarHBondContact SG-SG 2.88Å; V124-C140 CarbonylContact O-C 3.58Å; V124-C140 WeakPolarHBondContact O-CA 3.35Å
141	L	62.6	Low	57.1	Low	81 Å²	81	78.2 Å²	78.2	42%	0.424	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	169.1	-171.3	-155.2	86.6	0	0	0	114.3	S123 V124 V126	S123-L141 WeakPolarHBondContact CA-O 3.35Å; V124-L141 HydrophobicContact CG2-CB 4.44Å; V124-L141 WeakPolarHBondContact CG2-O 3.42Å; V124-L141 PolarHBondContact N-O 3.23Å; V124-L141 PolarHBondContact O-N 2.99Å; V126-L141 HydrophobicContact CB-CB 3.97Å; V126-L141 HydrophobicContact CG1-CB 4.41Å; V126-L141 HydrophobicContact CG2-CB 3.25Å; V126-L141 HydrophobicContact CG2-CD2 4.35Å; V126-L141 HydrophobicContact CG2-CG 4.42Å
142	A	53.8	Low	56.9	Low	74 Å²	74	78.9 Å²	78.9	61%	0.612	50%	0.495	S	S	*	.			trans	-104.3	162.5	173.8	0	0	0	0	0	114.1
143	C	55.6	Low	56.8	Low	63 Å²	63	78.9 Å²	78.9	43%	0.426	49%	0.485	S	S	.	.			trans	-82.4	148.4	-163.6	-55	0	0	0	0	119.5	P149 C154	C143-P149 HydrophobicContact CB-CG 4.33Å; C143-C154 WeakPolarHBondContact CA-SG 3.31Å; C143-C154 HydrophobicContact CB-CB 3.36Å; C143-C154 WeakPolarHBondContact CB-SG 3.2Å; C143-C154 PolarHBondContact N-SG 3.05Å; C143-C154 VanDerWaalsContact N-SG 3.4Å; C143-C154 WeakPolarHBondContact SG-CA 3.45Å; C143-C154 WeakPolarHBondContact SG-CB 3.25Å; C143-C154 PolarHBondContact SG-N 2.89Å; C143-C154 VanDerWaalsContact SG-N 3.42Å; C143-C154 CovalentContact SG-SG 2Å; C143-C154 PolarHBondContact SG-SG 3.08Å
144	S	50.2	Low	56.7	Low	83 Å²	83	77.1 Å²	77.1	58%	0.58	47%	0.472	S	S	*	.			trans	-134.4	175.4	-172.8	73.4	0	0	0	0	116.1	N146 T147	S144-N146 PolarHBondContact O-N 3.08Å; S144-T147 PolarHBondContact N-OG1 3.28Å; S144-T147 PolarHBondContact O-N 3.39Å; S144-T147 PolarHBondContact O-OG1 3.21Å
145	N	51.3	Low	57.2	Low	171 Å²	171	75.5 Å²	75.5	91%	0.914	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-12.7	-163	-90.9	-3.6	0	0	0	119.6
146	N	48.3	Very low	56.7	Low	116 Å²	116	77 Å²	77	62%	0.62	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	15.3	172.9	-73.1	-22.2	0	0	0	112.8	S144	S144-N146 PolarHBondContact O-N 3.08Å
147	T	56.2	Low	56.5	Low	30 Å²	30	73.9 Å²	73.9	18%	0.184	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	144.2	-174.5	59.1	0	0	0	0	110.6	S144 C154 V155 T156	S144-T147 PolarHBondContact N-OG1 3.28Å; S144-T147 PolarHBondContact O-N 3.39Å; S144-T147 PolarHBondContact O-OG1 3.21Å; T147-C154 VanDerWaalsContact CB-CB 3.43Å; T147-C154 WeakPolarHBondContact CB-O 3.22Å; T147-C154 HydrophobicContact CG2-CB 4.05Å; T147-C154 WeakPolarHBondContact CG2-O 3.46Å; T147-C154 VanDerWaalsContact OG1-CB 3.23Å; T147-C154 WeakPolarHBondContact OG1-CB 3.33Å; T147-V155 CarbonylContact C-O 3.52Å; T147-V155 VanDerWaalsContact CA-O 3.31Å; T147-V155 WeakPolarHBondContact CA-O 3.01Å; T147-T156 HydrophobicContact CG2-CG2 3.51Å
148	V	57.2	Low	56.4	Low	94 Å²	94	76.7 Å²	76.7	57%	0.57	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	139	173.8	-62	0	0	0	0	109.8	D150 C154 V155	V148-D150 PolarHBondContact O-N 2.63Å; V148-C154 CarbonylContact O-C 3.57Å; V148-V155 HydrophobicContact CB-CG2 4.5Å; V148-V155 HydrophobicContact CG2-CG2 3.34Å; V148-V155 PolarHBondContact N-O 3.27Å; V148-V155 WeakPolarHBondContact O-CA 3.12Å; V148-V155 WeakPolarHBondContact O-CG2 3.4Å; V148-V155 PolarHBondContact O-N 3.04Å
149	P	47.9	Very low	56.4	Low	105 Å²	105	80 Å²	80	68%	0.682	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	129	179.3	-18.1	30.6	0	0	0	112.7	C143 T153	C143-P149 HydrophobicContact CB-CG 4.33Å; P149-T153 CarbonylContact C-O 3.41Å; P149-T153 WeakPolarHBondContact CA-O 3.42Å
150	D	60.2	Low	56	Low	91 Å²	91	77 Å²	77	49%	0.487	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	124.2	166.1	-175.7	25.2	0	0	0	110.1	V148 N152 T153 V155	V148-D150 PolarHBondContact O-N 2.63Å; D150-N152 PolarHBondContact O-N 3.33Å; D150-N152 VanDerWaalsContact O-N 3.15Å; D150-T153 PolarHBondContact N-O 3.44Å; D150-T153 PolarHBondContact O-N 2.88Å; D150-T153 PolarHBondContact O-OG1 3.32Å; D150-V155 HydrophobicContact CB-CB 4.46Å; D150-V155 HydrophobicContact CB-CG1 3.72Å; D150-V155 HydrophobicContact CB-CG2 3.83Å
151	N	52.9	Low	56.1	Low	155 Å²	155	75.8 Å²	75.8	83%	0.829	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	39.1	49.7	177.6	-78.3	-17.6	0	0	0	116.6
152	N	50.1	Low	56	Low	100 Å²	100	76.9 Å²	76.9	54%	0.535	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	12.5	-176.4	-63.9	1.6	0	0	0	116.4	S121 V124 D150	S121-N152 VanDerWaalsContact O-CG 3.23Å; S121-N152 PolarHBondContact O-ND2 2.04Å; S121-N152 PolarHBondContact O-OD1 3.14Å; S121-N152 VanDerWaalsContact O-OD1 3.07Å; V124-N152 WeakPolarHBondContact CG1-O 3.49Å; D150-N152 PolarHBondContact O-N 3.33Å; D150-N152 VanDerWaalsContact O-N 3.15Å
153	T	46.4	Very low	56.4	Low	51 Å²	51	74.1 Å²	74.1	31%	0.313	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	140.8	169.9	52.7	0	0	0	0	115.4	V124 P149 D150 V155	V124-T153 HydrophobicContact CG1-CG2 3.63Å; P149-T153 CarbonylContact C-O 3.41Å; P149-T153 WeakPolarHBondContact CA-O 3.42Å; D150-T153 PolarHBondContact N-O 3.44Å; D150-T153 PolarHBondContact O-N 2.88Å; D150-T153 PolarHBondContact O-OG1 3.32Å; T153-V155 VanDerWaalsContact C-N 3.25Å; T153-V155 PolarHBondContact O-N 2.03Å; T153-V155 VanDerWaalsContact OG1-CG1 3.23Å; T153-V155 WeakPolarHBondContact OG1-CG1 3.46Å
154	C	58.3	Low	56.7	Low	20 Å²	20	71.1 Å²	71.1	14%	0.135	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	86.2	161.9	-33.1	0	0	0	0	106.9	C143 T147 V148 T156	C143-C154 WeakPolarHBondContact CA-SG 3.31Å; C143-C154 HydrophobicContact CB-CB 3.36Å; C143-C154 WeakPolarHBondContact CB-SG 3.2Å; C143-C154 PolarHBondContact N-SG 3.05Å; C143-C154 VanDerWaalsContact N-SG 3.4Å; C143-C154 WeakPolarHBondContact SG-CA 3.45Å; C143-C154 WeakPolarHBondContact SG-CB 3.25Å; C143-C154 PolarHBondContact SG-N 2.89Å; C143-C154 VanDerWaalsContact SG-N 3.42Å; C143-C154 CovalentContact SG-SG 2Å; C143-C154 PolarHBondContact SG-SG 3.08Å; T147-C154 VanDerWaalsContact CB-CB 3.43Å; T147-C154 WeakPolarHBondContact CB-O 3.22Å; T147-C154 HydrophobicContact CG2-CB 4.05Å; T147-C154 WeakPolarHBondContact CG2-O 3.46Å; T147-C154 VanDerWaalsContact OG1-CB 3.23Å; T147-C154 WeakPolarHBondContact OG1-CB 3.33Å; V148-C154 CarbonylContact O-C 3.57Å; C154-T156 PolarHBondContact O-N 2.83Å; C154-T156 VanDerWaalsContact O-N 3.14Å
155	V	59.1	Low	56.9	Low	47 Å²	47	72.1 Å²	72.1	29%	0.285	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	111.7	-179.3	-58.3	0	0	0	0	111	T147 V148 D150 T153	T147-V155 CarbonylContact C-O 3.52Å; T147-V155 VanDerWaalsContact CA-O 3.31Å; T147-V155 WeakPolarHBondContact CA-O 3.01Å; V148-V155 HydrophobicContact CB-CG2 4.5Å; V148-V155 HydrophobicContact CG2-CG2 3.34Å; V148-V155 PolarHBondContact N-O 3.27Å; V148-V155 WeakPolarHBondContact O-CA 3.12Å; V148-V155 WeakPolarHBondContact O-CG2 3.4Å; V148-V155 PolarHBondContact O-N 3.04Å; D150-V155 HydrophobicContact CB-CB 4.46Å; D150-V155 HydrophobicContact CB-CG1 3.72Å; D150-V155 HydrophobicContact CB-CG2 3.83Å; T153-V155 VanDerWaalsContact C-N 3.25Å; T153-V155 PolarHBondContact O-N 2.03Å; T153-V155 VanDerWaalsContact OG1-CG1 3.23Å; T153-V155 WeakPolarHBondContact OG1-CG1 3.46Å
156	T	52.2	Low	57.2	Low	69 Å²	69	67.1 Å²	67.1	42%	0.423	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	157.3	169.1	55.8	0	0	0	0	110.3	T147 C154 R158	T147-T156 HydrophobicContact CG2-CG2 3.51Å; C154-T156 PolarHBondContact O-N 2.83Å; C154-T156 VanDerWaalsContact O-N 3.14Å; T156-R158 PolarHBondContact O-N 3.04Å
157	C	63.9	Low	57.7	Low	27 Å²	27	63.1 Å²	63.1	18%	0.182	35%	0.348	C	S	.	.			trans	-65.8	47.4	164.1	56.9	0	0	0	0	112.5	T159 T160 I161 C173	C157-T159 VanDerWaalsContact C-N 3.31Å; C157-T159 PolarHBondContact O-N 2.9Å; C157-T159 VanDerWaalsContact O-N 3.12Å; C157-T160 WeakPolarHBondContact O-CB 3.34Å; C157-T160 PolarHBondContact O-N 3.46Å; C157-I161 PolarHBondContact O-N 2.75Å; C157-I161 VanDerWaalsContact SG-CD1 3.56Å; C157-C173 HydrophobicContact CB-CB 3.69Å; C157-C173 WeakPolarHBondContact CB-SG 3.39Å; C157-C173 WeakPolarHBondContact SG-CA 3.3Å; C157-C173 WeakPolarHBondContact SG-CB 3.41Å; C157-C173 CovalentContact SG-SG 2.03Å; C157-C173 PolarHBondContact SG-SG 2.64Å
158	R	60.9	Low	57.8	Low	101 Å²	101	67.4 Å²	67.4	38%	0.381	38%	0.379	S	S	.	.	H	α-helix	trans	-49.9	-42.3	-164.1	-173.6	179.7	-179	-174.5	0.2	114	D97 T156 T160 I161 R162	D97-R158 VanDerWaalsContact CB-NH2 3.32Å; T156-R158 PolarHBondContact O-N 3.04Å; R158-T160 VanDerWaalsContact C-N 3.32Å; R158-T160 PolarHBondContact O-N 2.9Å; R158-I161 PolarHBondContact O-N 3.29Å; R158-R162 HydrophobicContact CG-CG 4.33Å; R158-R162 VanDerWaalsContact NE-CZ 3.31Å; R158-R162 VanDerWaalsContact O-CB 3.28Å; R158-R162 WeakPolarHBondContact O-CB 3.3Å; R158-R162 VanDerWaalsContact O-CG 3.27Å; R158-R162 WeakPolarHBondContact O-CG 3.21Å; R158-R162 PolarHBondContact O-N 3.28Å
159	T	64.4	Low	57.9	Low	80 Å²	80	66.1 Å²	66.1	49%	0.491	37%	0.368	S	S	.	.	H	α-helix	trans	-64.6	-38.9	-178.7	-17.1	0	0	0	0	111.3	C157 M163	C157-T159 VanDerWaalsContact C-N 3.31Å; C157-T159 PolarHBondContact O-N 2.9Å; C157-T159 VanDerWaalsContact O-N 3.12Å; T159-M163 VanDerWaalsContact O-CG 3.25Å; T159-M163 WeakPolarHBondContact O-CG 2.98Å; T159-M163 PolarHBondContact O-N 3.3Å
160	T	62.4	Low	58.5	Low	2 Å²	2	66.5 Å²	66.5	1%	0.012	37%	0.371	C	S	.	.	H	α-helix	trans	-68.7	-46.6	177.6	-55.2	0	0	0	0	111	C157 R158 M163 L164 S172 C175 C184	C157-T160 WeakPolarHBondContact O-CB 3.34Å; C157-T160 PolarHBondContact O-N 3.46Å; R158-T160 VanDerWaalsContact C-N 3.32Å; R158-T160 PolarHBondContact O-N 2.9Å; T160-M163 PolarHBondContact O-N 2.59Å; T160-L164 HydrophobicContact CG2-CD1 4.03Å; T160-L164 VanDerWaalsContact O-CG 3.31Å; T160-L164 WeakPolarHBondContact O-CG 3.07Å; T160-L164 PolarHBondContact O-N 3.44Å; T160-L164 VanDerWaalsContact O-N 3.12Å; T160-S172 WeakPolarHBondContact CG2-O 3.48Å; T160-C175 HydrophobicContact CG2-CB 4.33Å; T160-C184 HydrophobicContact CG2-CB 3.71Å
161	I	63.3	Low	58.4	Low	31 Å²	31	67.2 Å²	67.2	16%	0.159	37%	0.371	C	S	.	.	H	α-helix	trans	-66.4	-44.2	179.5	-66.3	174.1	0	0	0	111.8	C157 R158 M163 L164 R165 E171	C157-I161 PolarHBondContact O-N 2.75Å; C157-I161 VanDerWaalsContact SG-CD1 3.56Å; R158-I161 PolarHBondContact O-N 3.29Å; I161-M163 VanDerWaalsContact C-N 3.26Å; I161-M163 PolarHBondContact O-N 2.88Å; I161-L164 PolarHBondContact O-N 3.41Å; I161-R165 WeakPolarHBondContact O-CB 3.36Å; I161-R165 PolarHBondContact O-N 3.04Å; I161-E171 HydrophobicContact CG2-CB 4.14Å; I161-E171 HydrophobicContact CG2-CG 4.03Å
162	R	61.6	Low	59	Low	105 Å²	105	61.9 Å²	61.9	40%	0.396	35%	0.346	S	S	.	.	H	α-helix	trans	-55.3	-43.3	177.9	-84	179.9	158.7	-177.3	-13.4	112.4	D97 R158 A166	D97-R162 PolarHBondContact O-NH2 3.12Å; R158-R162 HydrophobicContact CG-CG 4.33Å; R158-R162 VanDerWaalsContact NE-CZ 3.31Å; R158-R162 VanDerWaalsContact O-CB 3.28Å; R158-R162 WeakPolarHBondContact O-CB 3.3Å; R158-R162 VanDerWaalsContact O-CG 3.27Å; R158-R162 WeakPolarHBondContact O-CG 3.21Å; R158-R162 PolarHBondContact O-N 3.28Å; R162-A166 WeakPolarHBondContact O-CB 3.21Å; R162-A166 PolarHBondContact O-N 3.35Å
163	M	61.2	Low	59.7	Low	15 Å²	15	58.8 Å²	58.8	7%	0.074	33%	0.332	C	S	.	.	H	α-helix	trans	-68	-49.2	179.6	-73.5	-66	-160.7	0	0	110.9	T159 T160 I161 R165 A166 S167 V183 C184 F185 P186 F243 Y248	T159-M163 VanDerWaalsContact O-CG 3.25Å; T159-M163 WeakPolarHBondContact O-CG 2.98Å; T159-M163 PolarHBondContact O-N 3.3Å; T160-M163 PolarHBondContact O-N 2.59Å; I161-M163 VanDerWaalsContact C-N 3.26Å; I161-M163 PolarHBondContact O-N 2.88Å; M163-R165 VanDerWaalsContact C-N 3.27Å; M163-R165 PolarHBondContact O-N 2.97Å; M163-A166 WeakPolarHBondContact O-CB 3.32Å; M163-A166 PolarHBondContact O-N 3.49Å; M163-S167 PolarHBondContact O-N 3.49Å; M163-S167 VanDerWaalsContact O-N 3.09Å; M163-S167 PolarHBondContact O-OG 3.12Å; M163-V183 HydrophobicContact CE-CG1 3.93Å; M163-C184 WeakPolarHBondContact CB-O 3.43Å; M163-C184 WeakPolarHBondContact CG-O 3.49Å; M163-F185 HydrophobicContact CE-CE1 4.26Å; M163-P186 HydrophobicContact CB-CG 3.82Å; M163-P186 VanDerWaalsContact O-CG 3.27Å; M163-P186 WeakPolarHBondContact O-CG 3.48Å; M163-F243 HydrophobicContact CE-CD1 4.13Å; M163-F243 HydrophobicContact CE-CE1 3.08Å; M163-F243 HydrophobicContact CE-CE2 4.44Å; M163-F243 HydrophobicContact CE-CZ 3.26Å; M163-Y248 HydrophobicContact CE-CE1 3.97Å; M163-Y248 HydrophobicContact SD-CE1 3.74Å
164	L	62.2	Low	60.6	Low	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-55.7	-43.1	177.8	-70.9	166.6	0	0	0	111.9	T160 I161 S167 S168 L169 S172 P176 P186	T160-L164 HydrophobicContact CG2-CD1 4.03Å; T160-L164 VanDerWaalsContact O-CG 3.31Å; T160-L164 WeakPolarHBondContact O-CG 3.07Å; T160-L164 PolarHBondContact O-N 3.44Å; T160-L164 VanDerWaalsContact O-N 3.12Å; I161-L164 PolarHBondContact O-N 3.41Å; L164-S167 CarbonylContact O-C 3.55Å; L164-S167 PolarHBondContact O-N 2.77Å; L164-S167 VanDerWaalsContact O-N 3.14Å; L164-S168 PolarHBondContact O-N 3.03Å; L164-S168 VanDerWaalsContact O-N 3.16Å; L164-L169 HydrophobicContact CD2-CB 4Å; L164-L169 HydrophobicContact CD2-CD1 4.23Å; L164-L169 PolarHBondContact O-N 2.87Å; L164-S172 VanDerWaalsContact CD1-O 3.31Å; L164-S172 WeakPolarHBondContact CD1-O 3.48Å; L164-P176 VanDerWaalsContact CD2-CD 3.41Å; L164-P176 HydrophobicContact CD2-CG 3.45Å; L164-P176 VanDerWaalsContact CD2-CG 3.45Å; L164-P186 HydrophobicContact CB-CG 4.46Å; L164-P186 HydrophobicContact CD2-CB 3.64Å; L164-P186 HydrophobicContact CD2-CG 3.89Å; L164-P186 HydrophobicContact CG-CB 4.46Å; L164-P186 HydrophobicContact CG-CG 4.19Å
165	R	55.8	Low	60.9	Low	105 Å²	105	62.6 Å²	62.6	40%	0.396	35%	0.349	S	S	.	.	H	α-helix	trans	-63	-42.2	175.4	-170.6	-179.7	-67.8	156	0.4	112.6	I161 M163 S167 S168 E171	I161-R165 WeakPolarHBondContact O-CB 3.36Å; I161-R165 PolarHBondContact O-N 3.04Å; M163-R165 VanDerWaalsContact C-N 3.27Å; M163-R165 PolarHBondContact O-N 2.97Å; R165-S167 PolarHBondContact O-N 3.36Å; R165-S168 PolarHBondContact O-N 3.09Å; R165-E171 IonicContact CZ-OE1 3.13Å; R165-E171 IonicContact CZ-OE2 3.89Å; R165-E171 IonicContact NE-OE1 2.69Å; R165-E171 PolarHBondContact NE-OE1 2.84Å; R165-E171 IonicContact NH2-OE1 3.03Å; R165-E171 PolarHBondContact NH2-OE1 3.32Å; R165-E171 IonicContact NH2-OE2 2.86Å; R165-E171 PolarHBondContact NH2-OE2 2.97Å
166	A	56.4	Low	61.2	Low	65 Å²	65	64.2 Å²	64.2	54%	0.537	36%	0.36	S	S	.	.	H	α-helix	trans	-64.4	-22.7	175.2	0	0	0	0	0	113.1	R162 M163	R162-A166 WeakPolarHBondContact O-CB 3.21Å; R162-A166 PolarHBondContact O-N 3.35Å; M163-A166 WeakPolarHBondContact O-CB 3.32Å; M163-A166 PolarHBondContact O-N 3.49Å
167	S	58.2	Low	61.9	Low	33 Å²	33	63.2 Å²	63.2	23%	0.231	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	11.4	176.9	-57.5	0	0	0	0	113.7	M163 L164 R165 L169 P186	M163-S167 PolarHBondContact O-N 3.49Å; M163-S167 VanDerWaalsContact O-N 3.09Å; M163-S167 PolarHBondContact O-OG 3.12Å; L164-S167 CarbonylContact O-C 3.55Å; L164-S167 PolarHBondContact O-N 2.77Å; L164-S167 VanDerWaalsContact O-N 3.14Å; R165-S167 PolarHBondContact O-N 3.36Å; S167-L169 PolarHBondContact O-N 3.28Å; S167-P186 WeakPolarHBondContact OG-CG 3.48Å
168	S	59	Low	62.2	Low	119 Å²	119	66.3 Å²	66.3	83%	0.832	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	28.5	-179.6	38.8	0	0	0	0	115	L164 R165	L164-S168 PolarHBondContact O-N 3.03Å; L164-S168 VanDerWaalsContact O-N 3.16Å; R165-S168 PolarHBondContact O-N 3.09Å
169	L	58.7	Low	62.6	Low	68 Å²	68	67.5 Å²	67.5	36%	0.356	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-99.1	155.9	175.9	-75.4	168.7	0	0	0	111.9	L164 S167 P186	L164-L169 HydrophobicContact CD2-CB 4Å; L164-L169 HydrophobicContact CD2-CD1 4.23Å; L164-L169 PolarHBondContact O-N 2.87Å; S167-L169 PolarHBondContact O-N 3.28Å; L169-P186 HydrophobicContact CD1-CB 3.47Å; L169-P186 VanDerWaalsContact CD1-CB 3.47Å
170	P	61	Low	63.1	Low	113 Å²	113	64.6 Å²	64.6	73%	0.734	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-57.4	138.6	177.7	-21.8	32.1	0	0	0	112.6	S172	P170-S172 PolarHBondContact O-N 2.99Å
171	E	58.2	Low	63.9	Low	105 Å²	105	65.8 Å²	65.8	49%	0.491	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-75.7	121.7	-176.2	-60	-176.1	-177.2	0	0	111.4	I161 R165	I161-E171 HydrophobicContact CG2-CB 4.14Å; I161-E171 HydrophobicContact CG2-CG 4.03Å; R165-E171 IonicContact CZ-OE1 3.13Å; R165-E171 IonicContact CZ-OE2 3.89Å; R165-E171 IonicContact NE-OE1 2.69Å; R165-E171 PolarHBondContact NE-OE1 2.84Å; R165-E171 IonicContact NH2-OE1 3.03Å; R165-E171 PolarHBondContact NH2-OE1 3.32Å; R165-E171 IonicContact NH2-OE2 2.86Å; R165-E171 PolarHBondContact NH2-OE2 2.97Å
172	S	64.8	Low	64.3	Low	44 Å²	44	66.7 Å²	66.7	31%	0.308	38%	0.384	S	S	.	.			trans	-151.4	154.5	174.6	113.7	0	0	0	0	111.2	T160 L164 P170 I174	T160-S172 WeakPolarHBondContact CG2-O 3.48Å; L164-S172 VanDerWaalsContact CD1-O 3.31Å; L164-S172 WeakPolarHBondContact CD1-O 3.48Å; P170-S172 PolarHBondContact O-N 2.99Å; S172-I174 PolarHBondContact O-N 2.77Å; S172-I174 WeakPolarHBondContact OG-CA 3.48Å; S172-I174 WeakPolarHBondContact OG-CB 3.23Å; S172-I174 PolarHBondContact OG-N 2.95Å; S172-I174 PolarHBondContact OG-O 3.09Å
173	C	66.3	Low	64.9	Low	35 Å²	35	62.6 Å²	62.6	24%	0.236	37%	0.371	C	S	.	.	S	Bend	trans	-73	-12.1	169.9	-69	0	0	0	0	113.6	C157 R179	C157-C173 HydrophobicContact CB-CB 3.69Å; C157-C173 WeakPolarHBondContact CB-SG 3.39Å; C157-C173 WeakPolarHBondContact SG-CA 3.3Å; C157-C173 WeakPolarHBondContact SG-CB 3.41Å; C157-C173 CovalentContact SG-SG 2.03Å; C157-C173 PolarHBondContact SG-SG 2.64Å; C173-R179 PolarHBondContact O-NH2 3.06Å; C173-R179 VanDerWaalsContact O-NH2 3.12Å
174	I	63.8	Low	65.5	Low	134 Å²	134	61.9 Å²	61.9	69%	0.687	37%	0.367	S	S	*	.	S	Bend	trans	-87.2	116.6	174.9	-54.6	173.4	0	0	0	106.9	S172	S172-I174 PolarHBondContact O-N 2.77Å; S172-I174 WeakPolarHBondContact OG-CA 3.48Å; S172-I174 WeakPolarHBondContact OG-CB 3.23Å; S172-I174 PolarHBondContact OG-N 2.95Å; S172-I174 PolarHBondContact OG-O 3.09Å
175	C	64.9	Low	65.9	Low	16 Å²	16	62.2 Å²	62.2	11%	0.108	37%	0.369	C	S	.	.			trans	-69.2	132.2	172.2	-170.6	0	0	0	0	108.3	T160 N177 R179 C184	T160-C175 HydrophobicContact CG2-CB 4.33Å; C175-N177 CarbonylContact C-O 3.5Å; C175-N177 WeakPolarHBondContact CB-O 3.25Å; C175-N177 PolarHBondContact O-N 3.5Å; C175-N177 VanDerWaalsContact O-O 3.14Å; C175-N177 PolarHBondContact SG-O 2.93Å; C175-R179 HydrophobicContact CB-CG 4.08Å; C175-C184 WeakPolarHBondContact CA-SG 3.5Å; C175-C184 HydrophobicContact CB-CB 3.69Å; C175-C184 WeakPolarHBondContact CB-SG 3.35Å; C175-C184 WeakPolarHBondContact SG-CA 3.47Å; C175-C184 WeakPolarHBondContact SG-CB 3.49Å; C175-C184 CovalentContact SG-SG 2.03Å; C175-C184 PolarHBondContact SG-SG 2.89Å
176	P	66.4	Low	66.1	Low	82 Å²	82	57.7 Å²	57.7	53%	0.532	35%	0.353	S	S	.	.	S	Bend	trans	-58.5	-32.7	175.7	-22.6	31.8	0	0	0	112.2	L164	L164-P176 VanDerWaalsContact CD2-CD 3.41Å; L164-P176 HydrophobicContact CD2-CG 3.45Å; L164-P176 VanDerWaalsContact CD2-CG 3.45Å
177	N	66.6	Low	66.1	Low	48 Å²	48	57.5 Å²	57.5	26%	0.257	36%	0.357	S	S	.	.	S	Bend	trans	-106.3	173.6	173.3	-62.2	-43.8	0	0	0	110.4	C175 F185 I188	C175-N177 CarbonylContact C-O 3.5Å; C175-N177 WeakPolarHBondContact CB-O 3.25Å; C175-N177 PolarHBondContact O-N 3.5Å; C175-N177 VanDerWaalsContact O-O 3.14Å; C175-N177 PolarHBondContact SG-O 2.93Å; N177-F185 PolarHBondContact ND2-O 3.25Å; N177-I188 PolarHBondContact ND2-O 3.41Å
178	S	69	Low	65.7	Low	92 Å²	92	57 Å²	57	64%	0.643	35%	0.352	S	S	*	.			trans	-61.5	143.1	167.5	51.9	0	0	0	0	110.7	V180	S178-V180 PolarHBondContact O-N 3.42Å
179	R	70.4	Confident	64.8	Low	126 Å²	126	56.1 Å²	56.1	48%	0.475	34%	0.341	S	S	.	.			trans	-66.4	130.8	170.1	-65.5	-177.3	-177	-162.9	2.9	108.4	C173 C175 V183	C173-R179 PolarHBondContact O-NH2 3.06Å; C173-R179 VanDerWaalsContact O-NH2 3.12Å; C175-R179 HydrophobicContact CB-CG 4.08Å; R179-V183 CarbonylContact C-O 3.47Å; R179-V183 WeakPolarHBondContact CA-O 3.19Å
180	V	75.6	Confident	63.9	Low	19 Å²	19	57.4 Å²	57.4	12%	0.115	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-99.6	115.5	174.6	176.8	0	0	0	0	106.1	S178 G182 V183 F185 V206 R238	S178-V180 PolarHBondContact O-N 3.42Å; V180-G182 PolarHBondContact O-N 3.24Å; V180-G182 VanDerWaalsContact O-N 3.12Å; V180-V183 PolarHBondContact N-O 3.45Å; V180-V183 PolarHBondContact O-N 3.47Å; V180-F185 HydrophobicContact CB-CD2 3.9Å; V180-F185 HydrophobicContact CB-CE2 3.94Å; V180-F185 HydrophobicContact CG1-CE2 4.32Å; V180-F185 HydrophobicContact CG2-CD2 4.21Å; V180-V206 HydrophobicContact CB-CG1 4.34Å; V180-V206 HydrophobicContact CG1-CG1 3.8Å; V180-V206 HydrophobicContact CG2-CG1 3.91Å; V180-R238 HydrophobicContact CG1-CB 3.48Å; V180-R238 VanDerWaalsContact CG1-CB 3.48Å; V180-R238 HydrophobicContact CG1-CG 4.44Å
181	D	78.2	Confident	62.8	Low	27 Å²	27	56.5 Å²	56.5	14%	0.144	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	33.2	178.4	-54.6	-0.6	0	0	0	112.1	V183 E234 T235 A237 R238 S239	D181-V183 VanDerWaalsContact C-N 3.33Å; D181-V183 PolarHBondContact O-N 2.86Å; D181-E234 VanDerWaalsContact OD1-O 3.1Å; D181-T235 WeakPolarHBondContact CB-O 3.44Å; D181-A237 PolarHBondContact OD2-N 3.26Å; D181-R238 IonicContact OD1-CZ 2.59Å; D181-R238 IonicContact OD1-NE 3.66Å; D181-R238 PolarHBondContact OD1-NE 3.13Å; D181-R238 IonicContact OD1-NH2 3.44Å; D181-R238 PolarHBondContact OD1-NH2 3.39Å; D181-R238 WeakPolarHBondContact OD2-CA 3.45Å; D181-R238 WeakPolarHBondContact OD2-CB 3.27Å; D181-R238 PolarHBondContact OD2-N 2.77Å; D181-S239 PolarHBondContact OD2-N 3.11Å; D181-S239 PolarHBondContact OD2-OG 3.12Å
182	G	72.8	Confident	61.4	Low	50 Å²	50	57.6 Å²	57.6	52%	0.515	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	-8.5	-177.1	0	0	0	0	0	115.6	V180	V180-G182 PolarHBondContact O-N 3.24Å; V180-G182 VanDerWaalsContact O-N 3.12Å
183	V	73.2	Confident	60	Low	19 Å²	19	64.1 Å²	64.1	12%	0.115	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-102.5	140.2	-178.2	-176.9	0	0	0	0	110.9	M163 R179 V180 D181 F185 F243	M163-V183 HydrophobicContact CE-CG1 3.93Å; R179-V183 CarbonylContact C-O 3.47Å; R179-V183 WeakPolarHBondContact CA-O 3.19Å; V180-V183 PolarHBondContact N-O 3.45Å; V180-V183 PolarHBondContact O-N 3.47Å; D181-V183 VanDerWaalsContact C-N 3.33Å; D181-V183 PolarHBondContact O-N 2.86Å; V183-F185 HydrophobicContact CB-CE2 4.04Å; V183-F185 HydrophobicContact CB-CZ 4.36Å; V183-F185 HydrophobicContact CG1-CE1 4.49Å; V183-F185 HydrophobicContact CG1-CE2 4.01Å; V183-F185 HydrophobicContact CG1-CZ 3.99Å; V183-F243 HydrophobicContact CG1-CE2 4.12Å; V183-F243 HydrophobicContact CG1-CZ 3.89Å; V183-F243 HydrophobicContact CG2-CE2 4.17Å
184	C	73	Confident	58.1	Low	0 Å²	0	65.2 Å²	65.2	0%	0	41%	0.407	C	S	.	.			trans	-90.3	122.5	174.8	-176.4	0	0	0	0	110.7	T160 M163 C175	T160-C184 HydrophobicContact CG2-CB 3.71Å; M163-C184 WeakPolarHBondContact CB-O 3.43Å; M163-C184 WeakPolarHBondContact CG-O 3.49Å; C175-C184 WeakPolarHBondContact CA-SG 3.5Å; C175-C184 HydrophobicContact CB-CB 3.69Å; C175-C184 WeakPolarHBondContact CB-SG 3.35Å; C175-C184 WeakPolarHBondContact SG-CA 3.47Å; C175-C184 WeakPolarHBondContact SG-CB 3.49Å; C175-C184 CovalentContact SG-SG 2.03Å; C175-C184 PolarHBondContact SG-SG 2.89Å
185	F	71.9	Confident	56.4	Low	6 Å²	6	65.9 Å²	65.9	3%	0.026	42%	0.418	C	S	.	.			trans	-106.1	107.6	170.7	-65.6	-83.7	0	0	0	109.6	M163 N177 V180 V183 I188 V206 A242 F243 Y248	M163-F185 HydrophobicContact CE-CE1 4.26Å; N177-F185 PolarHBondContact ND2-O 3.25Å; V180-F185 HydrophobicContact CB-CD2 3.9Å; V180-F185 HydrophobicContact CB-CE2 3.94Å; V180-F185 HydrophobicContact CG1-CE2 4.32Å; V180-F185 HydrophobicContact CG2-CD2 4.21Å; V183-F185 HydrophobicContact CB-CE2 4.04Å; V183-F185 HydrophobicContact CB-CZ 4.36Å; V183-F185 HydrophobicContact CG1-CE1 4.49Å; V183-F185 HydrophobicContact CG1-CE2 4.01Å; V183-F185 HydrophobicContact CG1-CZ 3.99Å; F185-I188 HydrophobicContact CB-CD1 3.77Å; F185-I188 HydrophobicContact CD1-CD1 4.21Å; F185-I188 HydrophobicContact CG-CD1 4.19Å; F185-V206 HydrophobicContact CB-CG2 3.9Å; F185-V206 HydrophobicContact CD1-CG2 3.85Å; F185-V206 HydrophobicContact CD2-CG2 3.33Å; F185-V206 HydrophobicContact CE1-CG2 4.21Å; F185-V206 HydrophobicContact CE2-CG2 3.72Å; F185-V206 HydrophobicContact CG-CG2 3.4Å; F185-V206 HydrophobicContact CZ-CG2 4.14Å; F185-A242 HydrophobicContact CD1-CB 4.17Å; F185-A242 HydrophobicContact CE1-CB 3.4Å; F185-A242 VanDerWaalsContact CE1-CB 3.4Å; F185-A242 HydrophobicContact CE2-CB 4.15Å; F185-A242 HydrophobicContact CZ-CB 3.39Å; F185-F243 HydrophobicContact CZ-CE2 4.32Å; F185-Y248 HydrophobicContact CD1-CE2 4.14Å; F185-Y248 HydrophobicContact CE1-CE2 4.12Å
186	P	60.5	Low	54.5	Low	10 Å²	10	70 Å²	70	7%	0.065	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-29.3	-170.5	-9.5	23.4	0	0	0	114.1	M163 L164 S167 L169	M163-P186 HydrophobicContact CB-CG 3.82Å; M163-P186 VanDerWaalsContact O-CG 3.27Å; M163-P186 WeakPolarHBondContact O-CG 3.48Å; L164-P186 HydrophobicContact CB-CG 4.46Å; L164-P186 HydrophobicContact CD2-CB 3.64Å; L164-P186 HydrophobicContact CD2-CG 3.89Å; L164-P186 HydrophobicContact CG-CB 4.46Å; L164-P186 HydrophobicContact CG-CG 4.19Å; S167-P186 WeakPolarHBondContact OG-CG 3.48Å; L169-P186 HydrophobicContact CD1-CB 3.47Å; L169-P186 VanDerWaalsContact CD1-CB 3.47Å
187	G	55.1	Low	52.8	Low	61 Å²	61	74.3 Å²	74.3	63%	0.629	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	22.9	-170.4	0	0	0	0	0	116
188	I	50.4	Low	51	Low	24 Å²	24	77.4 Å²	77.4	12%	0.123	49%	0.49	C	S	.	.			trans	-141.7	104.8	-169.3	-45.5	162.8	0	0	0	110.1	N177 F185 P204 V205 V206	N177-I188 PolarHBondContact ND2-O 3.41Å; F185-I188 HydrophobicContact CB-CD1 3.77Å; F185-I188 HydrophobicContact CD1-CD1 4.21Å; F185-I188 HydrophobicContact CG-CD1 4.19Å; I188-P204 HydrophobicContact CG2-CB 3.44Å; I188-P204 VanDerWaalsContact CG2-CB 3.44Å; I188-V205 HydrophobicContact CD1-CB 3.41Å; I188-V205 VanDerWaalsContact CD1-CB 3.41Å; I188-V205 HydrophobicContact CD1-CG1 3.89Å; I188-V205 HydrophobicContact CG1-CB 4.08Å; I188-V206 HydrophobicContact CD1-CB 4.08Å; I188-V206 HydrophobicContact CD1-CG2 3.53Å
189	T	40.7	Very low	49.1	Very low	99 Å²	99	77.7 Å²	77.7	61%	0.607	50%	0.498	S	S	*	.			trans	-71.1	136.4	167.1	38.7	0	0	0	0	109.5	T191	T189-T191 PolarHBondContact O-N 2.86Å; T189-T191 VanDerWaalsContact O-N 3.12Å
190	P	39	Very low	47.2	Very low	95 Å²	95	77.4 Å²	77.4	62%	0.617	52%	0.516	S	S	*	.			trans	-61.3	114.6	154.8	-7.8	22.9	0	0	0	105.5	T192	P190-T192 PolarHBondContact O-N 3.28Å
191	T	37.3	Very low	45.1	Very low	94 Å²	94	80.1 Å²	80.1	58%	0.577	55%	0.548	S	S	*	.			trans	-52.2	103.7	175.9	44.4	0	0	0	0	109.2	T189 I193	T189-T191 PolarHBondContact O-N 2.86Å; T189-T191 VanDerWaalsContact O-N 3.12Å; T191-I193 PolarHBondContact O-N 2.84Å
192	T	30.2	Very low	43.3	Very low	129 Å²	129	84.1 Å²	84.1	79%	0.791	58%	0.578	S	S	*	*			trans	-55.2	129.7	155.2	18.7	0	0	0	0	106.9	P190 G194	P190-T192 PolarHBondContact O-N 3.28Å; T192-G194 PolarHBondContact O-N 3.2Å
193	I	33.9	Very low	42.1	Very low	181 Å²	181	84.9 Å²	84.9	93%	0.928	58%	0.575	S	S	*	*			trans	-50.3	103.1	176.5	-61.3	161.2	0	0	0	107.9	T191	T191-I193 PolarHBondContact O-N 2.84Å
194	G	27.9	Very low	41.2	Very low	58 Å²	58	86 Å²	86	60%	0.598	58%	0.583	S	S	*	*			trans	-143.4	93.7	-168.8	0	0	0	0	0	110.7	T192 S196	T192-G194 PolarHBondContact O-N 3.2Å; G194-S196 PolarHBondContact O-N 3.02Å
195	T	27	Very low	40.9	Very low	147 Å²	147	87.4 Å²	87.4	90%	0.902	59%	0.591	S	S	*	*			trans	-60.8	94.4	169	47	0	0	0	0	110.1
196	S	26.4	Very low	40.9	Very low	102 Å²	102	88 Å²	88	71%	0.713	60%	0.595	S	S	*	*			trans	-157.2	123.9	161.1	59.5	0	0	0	0	111.9	G194 S198	G194-S196 PolarHBondContact O-N 3.02Å; S196-S198 PolarHBondContact O-N 3.3Å
197	N	30.7	Very low	41.7	Very low	174 Å²	174	88 Å²	88	93%	0.93	60%	0.596	S	S	*	*			trans	-81	99.3	174.5	-68.5	-26.4	0	0	0	108.5
198	S	28	Very low	42.5	Very low	112 Å²	112	89.3 Å²	89.3	78%	0.783	59%	0.591	S	S	*	*			trans	-147.8	129	164.6	-77.8	0	0	0	0	108.8	S196	S196-S198 PolarHBondContact O-N 3.3Å
199	A	29.1	Very low	43.3	Very low	98 Å²	98	90.8 Å²	90.8	81%	0.81	61%	0.612	S	S	*	*	S	Bend	trans	-70.4	159.4	-157	0	0	0	0	0	114.9
200	S	29.8	Very low	45	Very low	121 Å²	121	87.2 Å²	87.2	85%	0.846	59%	0.591	S	S	*	*			trans	81.9	35.4	180	75.7	0	0	0	0	116.9	S202	S200-S202 PolarHBondContact O-N 2.8Å
201	G	32	Very low	46.8	Very low	76 Å²	76	89.2 Å²	89.2	78%	0.784	60%	0.597	S	S	*	*			trans	-68	92.8	172	0	0	0	0	0	112.7	S203	G201-S203 PolarHBondContact O-N 2.9Å; G201-S203 VanDerWaalsContact O-N 3.16Å
202	S	41.4	Very low	48.7	Very low	111 Å²	111	86 Å²	86	78%	0.776	58%	0.577	S	S	*	*			trans	-59.4	113.2	166.9	53	0	0	0	0	109.1	S200	S200-S202 PolarHBondContact O-N 2.8Å
203	S	46	Very low	51.3	Low	66 Å²	66	80 Å²	80	46%	0.462	54%	0.541	S	S	.	.			trans	-45.7	131.8	172.8	-164.8	0	0	0	0	109.7	G201 V205	G201-S203 PolarHBondContact O-N 2.9Å; G201-S203 VanDerWaalsContact O-N 3.16Å; S203-V205 PolarHBondContact O-N 2.88Å; S203-V205 VanDerWaalsContact O-N 3.11Å
204	P	55.3	Low	53.8	Low	42 Å²	42	72.3 Å²	72.3	27%	0.273	50%	0.502	S	S	.	.			trans	-55.7	124.4	-179	21.4	-31	0	0	0	109	I188 V206	I188-P204 HydrophobicContact CG2-CB 3.44Å; I188-P204 VanDerWaalsContact CG2-CB 3.44Å; P204-V206 PolarHBondContact O-N 3.06Å
205	V	66.1	Low	56.7	Low	29 Å²	29	71.2 Å²	71.2	18%	0.176	48%	0.482	C	S	.	.	S	Bend	trans	-64	-25.8	-177.3	160.5	0	0	0	0	111	I188 S203 A242 S245 A247 Y248	I188-V205 HydrophobicContact CD1-CB 3.41Å; I188-V205 VanDerWaalsContact CD1-CB 3.41Å; I188-V205 HydrophobicContact CD1-CG1 3.89Å; I188-V205 HydrophobicContact CG1-CB 4.08Å; S203-V205 PolarHBondContact O-N 2.88Å; S203-V205 VanDerWaalsContact O-N 3.11Å; V205-A242 HydrophobicContact CG1-CB 3.97Å; V205-A242 VanDerWaalsContact O-CA 3.25Å; V205-A242 WeakPolarHBondContact O-CA 3.35Å; V205-A242 WeakPolarHBondContact O-CB 3.15Å; V205-S245 WeakPolarHBondContact CG1-OG 3.22Å; V205-A247 HydrophobicContact CG1-CB 4.37Å; V205-A247 HydrophobicContact CG2-CB 3.68Å; V205-Y248 HydrophobicContact CG1-CD2 3.88Å; V205-Y248 HydrophobicContact CG1-CE2 3.66Å
206	V	73	Confident	59.8	Low	18 Å²	18	64.2 Å²	64.2	11%	0.109	44%	0.439	C	S	.	.	S	Bend	trans	-97.9	123.9	172.2	174.4	0	0	0	0	108.8	V180 F185 I188 P204 R238 A242	V180-V206 HydrophobicContact CB-CG1 4.34Å; V180-V206 HydrophobicContact CG1-CG1 3.8Å; V180-V206 HydrophobicContact CG2-CG1 3.91Å; F185-V206 HydrophobicContact CB-CG2 3.9Å; F185-V206 HydrophobicContact CD1-CG2 3.85Å; F185-V206 HydrophobicContact CD2-CG2 3.33Å; F185-V206 HydrophobicContact CE1-CG2 4.21Å; F185-V206 HydrophobicContact CE2-CG2 3.72Å; F185-V206 HydrophobicContact CG-CG2 3.4Å; F185-V206 HydrophobicContact CZ-CG2 4.14Å; I188-V206 HydrophobicContact CD1-CB 4.08Å; I188-V206 HydrophobicContact CD1-CG2 3.53Å; P204-V206 PolarHBondContact O-N 3.06Å; V206-R238 HydrophobicContact CG1-CB 4.47Å; V206-A242 HydrophobicContact CB-CB 4.48Å; V206-A242 HydrophobicContact CG2-CB 3.65Å
207	P	75.5	Confident	62.9	Low	11 Å²	11	60.9 Å²	60.9	7%	0.071	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-67	148.5	174.9	27.9	-34	0	0	0	111.4	F213 R238 T241 E281	P207-F213 HydrophobicContact CB-CE2 3.73Å; P207-F213 HydrophobicContact CB-CZ 3.96Å; P207-F213 HydrophobicContact CG-CE1 4.33Å; P207-F213 HydrophobicContact CG-CE2 3.79Å; P207-F213 HydrophobicContact CG-CZ 3.51Å; P207-R238 HydrophobicContact CG-CB 4.33Å; P207-R238 HydrophobicContact CG-CG 4.27Å; P207-T241 HydrophobicContact CG-CG2 3.85Å; P207-E281 HydrophobicContact CB-CG 4.28Å
208	T	71.8	Confident	65.9	Low	88 Å²	88	52.6 Å²	52.6	54%	0.54	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-60.5	139.2	173.2	47.7	0	0	0	0	110.6	S210	T208-S210 PolarHBondContact O-N 2.89Å
209	G	68.1	Low	69	Low	55 Å²	55	47.8 Å²	47.8	57%	0.567	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-60.8	129.6	174.1	0	0	0	0	0	111.1
210	S	75.8	Confident	71.9	Confident	24 Å²	24	45.3 Å²	45.3	17%	0.168	32%	0.32	C	S	.	.			trans	-140.7	147.5	175.9	173.2	0	0	0	0	109.1	T208 T212 F213 S275	T208-S210 PolarHBondContact O-N 2.89Å; S210-T212 PolarHBondContact O-N 3.09Å; S210-T212 PolarHBondContact OG-N 3.42Å; S210-T212 PolarHBondContact OG-OG1 2.95Å; S210-F213 WeakPolarHBondContact O-CB 3.48Å; S210-F213 PolarHBondContact O-N 3.42Å; S210-F213 VanDerWaalsContact O-N 3.07Å; S210-S275 VanDerWaalsContact OG-CB 3.26Å; S210-S275 WeakPolarHBondContact OG-CB 3.32Å; S210-S275 PolarHBondContact OG-OG 3.36Å
211	D	76.4	Confident	74.8	Confident	138 Å²	138	43.3 Å²	43.3	74%	0.738	30%	0.297	S	S	*	.	H	α-helix	trans	-60.5	-31.4	174.4	-63.1	-29.2	0	0	0	111.5	F213 T214 L215	D211-F213 PolarHBondContact O-N 3.03Å; D211-T214 PolarHBondContact O-N 2.85Å; D211-T214 VanDerWaalsContact O-N 3.14Å; D211-T214 PolarHBondContact O-OG1 3.43Å; D211-L215 VanDerWaalsContact O-CB 3.31Å; D211-L215 WeakPolarHBondContact O-CB 3.47Å; D211-L215 PolarHBondContact O-N 3.12Å
212	T	79.1	Confident	77.4	Confident	26 Å²	26	42.5 Å²	42.5	16%	0.16	28%	0.277	C	S	.	.	H	α-helix	trans	-65	-22.5	176.9	63	0	0	0	0	113.6	S210 T214 Q264 S275 A276	S210-T212 PolarHBondContact O-N 3.09Å; S210-T212 PolarHBondContact OG-N 3.42Å; S210-T212 PolarHBondContact OG-OG1 2.95Å; T212-T214 VanDerWaalsContact C-N 3.3Å; T212-Q264 PolarHBondContact O-NE2 2.88Å; T212-S275 WeakPolarHBondContact OG1-CB 3.09Å; T212-A276 PolarHBondContact OG1-O 3.41Å
213	F	82.9	Confident	79.4	Confident	4 Å²	4	39.2 Å²	39.2	2%	0.018	25%	0.254	C	S	.	.	H	α-helix	trans	-71.1	-29.9	177.4	-126.9	-78.3	0	0	0	111.4	P207 S210 D211 F233 A237 R238 A276 T278 E281	P207-F213 HydrophobicContact CB-CE2 3.73Å; P207-F213 HydrophobicContact CB-CZ 3.96Å; P207-F213 HydrophobicContact CG-CE1 4.33Å; P207-F213 HydrophobicContact CG-CE2 3.79Å; P207-F213 HydrophobicContact CG-CZ 3.51Å; S210-F213 WeakPolarHBondContact O-CB 3.48Å; S210-F213 PolarHBondContact O-N 3.42Å; S210-F213 VanDerWaalsContact O-N 3.07Å; D211-F213 PolarHBondContact O-N 3.03Å; F213-F233 WeakPolarHBondContact O-CD1 3.31Å; F213-A237 HydrophobicContact CD1-CB 3.56Å; F213-A237 HydrophobicContact CE1-CB 3.75Å; F213-R238 HydrophobicContact CD1-CG 4.33Å; F213-R238 HydrophobicContact CE1-CG 4.36Å; F213-A276 WeakPolarHBondContact CD2-O 3.43Å; F213-A276 HydrophobicContact CE2-CB 4.11Å; F213-A276 WeakPolarHBondContact CE2-O 3.25Å; F213-T278 HydrophobicContact CD1-CG2 3.78Å; F213-T278 HydrophobicContact CE1-CG2 3.74Å; F213-E281 HydrophobicContact CE2-CG 3.75Å; F213-E281 HydrophobicContact CZ-CB 4.33Å; F213-E281 HydrophobicContact CZ-CG 3.64Å
214	T	87.6	Confident	81	Confident	19 Å²	19	39.3 Å²	39.3	12%	0.117	26%	0.255	C	S	.	.	H	α-helix	trans	-104.7	-12.3	179	64.5	0	0	0	0	112.9	D211 T212 V216 S229 S230 F233 E234	D211-T214 PolarHBondContact O-N 2.85Å; D211-T214 VanDerWaalsContact O-N 3.14Å; D211-T214 PolarHBondContact O-OG1 3.43Å; T212-T214 VanDerWaalsContact C-N 3.3Å; T214-V216 PolarHBondContact O-N 2.83Å; T214-S229 PolarHBondContact OG1-OG 3Å; T214-S230 PolarHBondContact O-N 2.82Å; T214-F233 HydrophobicContact CG2-CB 4.3Å; T214-E234 HydrophobicContact CG2-CB 3.89Å; T214-E234 HydrophobicContact CG2-CG 4.36Å
215	L	89.6	Confident	82.2	Confident	34 Å²	34	46 Å²	46	18%	0.178	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	126.1	-179.5	-167.6	68.9	0	0	0	111.5	D211 L217 Q264	D211-L215 VanDerWaalsContact O-CB 3.31Å; D211-L215 WeakPolarHBondContact O-CB 3.47Å; D211-L215 PolarHBondContact O-N 3.12Å; L215-L217 HydrophobicContact CD2-CD2 4.17Å; L215-L217 HydrophobicContact CG-CD2 4.38Å; L215-Q264 PolarHBondContact O-NE2 3.27Å
216	V	91	Very high	83.1	Confident	0 Å²	0	47 Å²	47	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119	172.4	177.9	0	0	0	0	108.2	T214 G227 I228 F233 R494	T214-V216 PolarHBondContact O-N 2.83Å; V216-G227 CarbonylContact O-C 3.57Å; V216-G227 VanDerWaalsContact O-CA 3.28Å; V216-G227 WeakPolarHBondContact O-CA 3.37Å; V216-I228 PolarHBondContact N-O 2.96Å; V216-I228 PolarHBondContact O-N 3.12Å; V216-F233 HydrophobicContact CG2-CD2 4.22Å; V216-F233 HydrophobicContact CG2-CE2 3.91Å; V216-F233 HydrophobicContact CG2-CZ 4.26Å; V216-R494 VanDerWaalsContact CG1-NH1 3.26Å
217	L	91.5	Very high	83.8	Confident	32 Å²	32	47 Å²	47	17%	0.168	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-87.9	144	177.8	-63.9	173.3	0	0	0	111.1	L215 S223 I426 R494	L215-L217 HydrophobicContact CD2-CD2 4.17Å; L215-L217 HydrophobicContact CG-CD2 4.38Å; L217-S223 WeakPolarHBondContact CD2-O 3.47Å; L217-I426 HydrophobicContact CD1-CD1 4.29Å; L217-R494 PolarHBondContact O-NH1 3.2Å
218	P	93.7	Very high	84.5	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.006	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-56.9	148	162.4	-18.9	30.9	0	0	0	111	G220 E221 T226 L492 N525 Y527	P218-G220 PolarHBondContact O-N 2.94Å; P218-E221 HydrophobicContact CB-CB 4.28Å; P218-E221 HydrophobicContact CB-CG 3.94Å; P218-E221 HydrophobicContact CG-CB 4.44Å; P218-E221 HydrophobicContact CG-CG 4.21Å; P218-E221 PolarHBondContact O-N 3.35Å; P218-T226 WeakPolarHBondContact CD-O 3.49Å; P218-L492 HydrophobicContact CB-CD1 4.49Å; P218-L492 HydrophobicContact CB-CD2 4.43Å; P218-L492 HydrophobicContact CG-CD2 4.15Å; P218-N525 WeakPolarHBondContact CA-OD1 3.05Å; P218-N525 HydrophobicContact CB-CB 4.48Å; P218-Y527 WeakPolarHBondContact CG-OH 3.27Å
219	A	93.2	Very high	85.4	Confident	11 Å²	11	46.1 Å²	46.1	9%	0.091	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	128.9	173.8	0	0	0	0	0	110.4	L265 A424 N525	A219-L265 HydrophobicContact CB-CD1 4.06Å; A219-A424 HydrophobicContact CB-CB 4.07Å; A219-N525 PolarHBondContact N-ND2 3.3Å; A219-N525 PolarHBondContact N-OD1 2.94Å; A219-N525 PolarHBondContact O-ND2 3.39Å
220	G	90.7	Very high	86.5	Confident	45 Å²	45	43.5 Å²	43.5	46%	0.464	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	-1.9	-178.3	0	0	0	0	0	115.4	P218 F432	P218-G220 PolarHBondContact O-N 2.94Å; G220-F432 VanDerWaalsContact C-CZ 3.5Å; G220-F432 WeakPolarHBondContact O-CZ 3.23Å
221	E	90.4	Very high	87.2	Confident	80 Å²	80	44.7 Å²	44.7	37%	0.374	26%	0.263	S	S	.	.			trans	-106.4	140.4	178.3	-66.8	-65.2	162.4	0	0	111.9	P218 T226	P218-E221 HydrophobicContact CB-CB 4.28Å; P218-E221 HydrophobicContact CB-CG 3.94Å; P218-E221 HydrophobicContact CG-CB 4.44Å; P218-E221 HydrophobicContact CG-CG 4.21Å; P218-E221 PolarHBondContact O-N 3.35Å; E221-T226 WeakPolarHBondContact CB-OG1 3.29Å
222	T	86.5	Confident	87.9	Confident	58 Å²	58	39.6 Å²	39.6	36%	0.356	23%	0.234	S	C	.	.			trans	-110.7	-15.3	175.6	60.1	0	0	0	0	112.8	I426 F432	T222-I426 HydrophobicContact CG2-CD1 4.14Å; T222-I426 HydrophobicContact CG2-CG2 4.42Å; T222-F432 HydrophobicContact CG2-CE2 3.83Å; T222-F432 HydrophobicContact CG2-CZ 3.67Å
223	S	83.2	Confident	88.5	Confident	42 Å²	42	38.4 Å²	38.4	29%	0.294	23%	0.226	S	C	.	.			trans	-78.3	125.2	-176.8	178.3	0	0	0	0	111.6	L217 Q225 T226	L217-S223 WeakPolarHBondContact CD2-O 3.47Å; S223-Q225 PolarHBondContact O-N 3.23Å; S223-Q225 VanDerWaalsContact O-N 3.12Å; S223-Q225 WeakPolarHBondContact OG-CB 3.24Å; S223-Q225 PolarHBondContact OG-N 3.23Å; S223-T226 PolarHBondContact O-N 3.08Å; S223-T226 VanDerWaalsContact O-N 3.12Å; S223-T226 PolarHBondContact O-OG1 3.41Å
224	S	79.3	Confident	88.8	Confident	69 Å²	69	42.3 Å²	42.3	48%	0.483	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-59.6	-21.6	172.2	59.7	0	0	0	0	113.4	T226 G227	S224-T226 PolarHBondContact O-N 2.86Å; S224-G227 PolarHBondContact O-N 3.4Å
225	Q	81.6	Confident	88.8	Confident	182 Å²	182	43.5 Å²	43.5	85%	0.85	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-67.9	-25.5	178.3	-60	180	0.5	0	0	112.9	S223	S223-Q225 PolarHBondContact O-N 3.23Å; S223-Q225 VanDerWaalsContact O-N 3.12Å; S223-Q225 WeakPolarHBondContact OG-CB 3.24Å; S223-Q225 PolarHBondContact OG-N 3.23Å
226	T	85	Confident	88.7	Confident	49 Å²	49	45.1 Å²	45.1	30%	0.301	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-89.5	-10.7	177.8	65.6	0	0	0	0	112.7	P218 E221 S223 S224	P218-T226 WeakPolarHBondContact CD-O 3.49Å; E221-T226 WeakPolarHBondContact CB-OG1 3.29Å; S223-T226 PolarHBondContact O-N 3.08Å; S223-T226 VanDerWaalsContact O-N 3.12Å; S223-T226 PolarHBondContact O-OG1 3.41Å; S224-T226 PolarHBondContact O-N 2.86Å
227	G	86.7	Confident	88.7	Confident	18 Å²	18	45.1 Å²	45.1	19%	0.186	26%	0.259	C	S	.	.			trans	-77.3	152.8	-176.4	0	0	0	0	0	113.1	V216 S224	V216-G227 CarbonylContact O-C 3.57Å; V216-G227 VanDerWaalsContact O-CA 3.28Å; V216-G227 WeakPolarHBondContact O-CA 3.37Å; S224-G227 PolarHBondContact O-N 3.4Å
228	I	90	Very high	88.5	Confident	21 Å²	21	47 Å²	47	11%	0.108	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134.6	178.5	-69.3	161.8	0	0	0	109	V216 S230 T483 Q491 L492	V216-I228 PolarHBondContact N-O 2.96Å; V216-I228 PolarHBondContact O-N 3.12Å; I228-S230 PolarHBondContact O-N 3.32Å; I228-T483 HydrophobicContact CG2-CG2 3.53Å; I228-Q491 HydrophobicContact CD1-CB 4.06Å; I228-L492 HydrophobicContact CD1-CB 3.26Å; I228-L492 HydrophobicContact CD1-CD2 3.98Å; I228-L492 HydrophobicContact CD1-CG 4.22Å
229	S	90.4	Very high	88.1	Confident	61 Å²	61	47.2 Å²	47.2	43%	0.427	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	110.6	171.6	-169.1	0	0	0	0	109.7	T214	T214-S229 PolarHBondContact OG1-OG 3Å
230	S	92.5	Very high	88	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.262	C	S	.	.			trans	-79.2	125	-178.2	-176.5	0	0	0	0	112	T214 I228 Y232 F233 E234 S480	T214-S230 PolarHBondContact O-N 2.82Å; I228-S230 PolarHBondContact O-N 3.32Å; S230-Y232 VanDerWaalsContact C-N 3.26Å; S230-Y232 PolarHBondContact O-N 3.39Å; S230-Y232 PolarHBondContact OG-N 3.05Å; S230-F233 PolarHBondContact O-N 2.74Å; S230-F233 WeakPolarHBondContact OG-CD2 3.17Å; S230-E234 PolarHBondContact O-N 2.84Å; S230-E234 VanDerWaalsContact O-N 3.08Å; S230-S480 WeakPolarHBondContact CB-O 3.11Å; S230-S480 PolarHBondContact OG-O 2.94Å
231	K	90.9	Very high	87.8	Confident	49 Å²	49	44.6 Å²	44.6	21%	0.213	24%	0.239	C	C	.	.	H	α-helix	trans	-65.8	-30.9	176	-173.5	56.3	-179.4	-177.3	0	112.6	E234 T235 K482 T485	K231-E234 HydrophobicContact CD-CB 4.48Å; K231-E234 WeakPolarHBondContact CD-OE2 3.04Å; K231-E234 IonicContact NZ-OE1 3.52Å; K231-E234 PolarHBondContact NZ-OE1 3.17Å; K231-E234 IonicContact NZ-OE2 2.79Å; K231-E234 PolarHBondContact NZ-OE2 3.24Å; K231-E234 PolarHBondContact O-N 3Å; K231-T235 HydrophobicContact CD-CG2 4.4Å; K231-T235 WeakPolarHBondContact O-CG2 3.36Å; K231-T235 PolarHBondContact O-N 2.94Å; K231-T235 PolarHBondContact O-OG1 2.93Å; K231-K482 WeakPolarHBondContact CB-O 3.28Å; K231-K482 PolarHBondContact N-O 2.91Å; K231-T485 HydrophobicContact CG-CG2 3.79Å
232	Y	91.1	Very high	87.6	Confident	30 Å²	30	40.8 Å²	40.8	12%	0.118	22%	0.222	C	C	.	.	H	α-helix	trans	-68	-44.2	177	-175.1	-109.8	0	0	0	111.5	S230 E234 T235 Q236 L256 L260 I341 F479	S230-Y232 VanDerWaalsContact C-N 3.26Å; S230-Y232 PolarHBondContact O-N 3.39Å; S230-Y232 PolarHBondContact OG-N 3.05Å; Y232-E234 VanDerWaalsContact C-N 3.33Å; Y232-E234 PolarHBondContact O-N 3.08Å; Y232-T235 PolarHBondContact O-N 3.12Å; Y232-T235 VanDerWaalsContact O-N 3.15Å; Y232-T235 PolarHBondContact O-OG1 2.84Å; Y232-T235 VanDerWaalsContact O-OG1 3.08Å; Y232-Q236 HydrophobicContact CD2-CG 3.93Å; Y232-Q236 HydrophobicContact CE1-CB 4.48Å; Y232-Q236 HydrophobicContact CE1-CG 4.33Å; Y232-Q236 HydrophobicContact CE2-CG 3.62Å; Y232-Q236 HydrophobicContact CG-CG 4.48Å; Y232-Q236 WeakPolarHBondContact O-CB 3.41Å; Y232-Q236 PolarHBondContact O-N 2.73Å; Y232-L256 HydrophobicContact CE1-CD1 4.4Å; Y232-L260 HydrophobicContact CD1-CD2 3.94Å; Y232-L260 HydrophobicContact CE1-CD2 3.81Å; Y232-I341 HydrophobicContact CD1-CD1 3.78Å; Y232-I341 HydrophobicContact CD1-CG1 4.42Å; Y232-I341 HydrophobicContact CE1-CD1 3.39Å; Y232-I341 HydrophobicContact CE1-CG1 3.6Å; Y232-I341 HydrophobicContact CE2-CD1 4.21Å; Y232-I341 HydrophobicContact CG-CD1 4.34Å; Y232-I341 PolarHBondContact OH-O 3.24Å; Y232-F479 HydrophobicContact CD1-CD1 4.24Å; Y232-F479 HydrophobicContact CD1-CE1 4.23Å; Y232-F479 HydrophobicContact CD2-CD1 4.09Å; Y232-F479 AromaticContact CD2-CE1 3.29Å; Y232-F479 HydrophobicContact CD2-CE1 3.29Å; Y232-F479 HydrophobicContact CD2-CZ 4.09Å; Y232-F479 AromaticContact CE2-CE1 3.85Å; Y232-F479 HydrophobicContact CE2-CE1 3.85Å; Y232-F479 HydrophobicContact CE2-CZ 4.35Å; Y232-F479 AromaticContact CG-CD1 3.81Å; Y232-F479 HydrophobicContact CG-CD1 3.81Å; Y232-F479 AromaticContact CG-CE1 3.47Å; Y232-F479 HydrophobicContact CG-CE1 3.47Å; Y232-F479 VanDerWaalsContact CG-CE1 3.47Å
233	F	91.6	Very high	87.5	Confident	1 Å²	1	40.3 Å²	40.3	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-62.6	-42	175.4	-79.3	-112.4	0	0	0	111.4	F213 T214 V216 S230 T235 Q236 A237 L260 L263 Q264 T278	F213-F233 WeakPolarHBondContact O-CD1 3.31Å; T214-F233 HydrophobicContact CG2-CB 4.3Å; V216-F233 HydrophobicContact CG2-CD2 4.22Å; V216-F233 HydrophobicContact CG2-CE2 3.91Å; V216-F233 HydrophobicContact CG2-CZ 4.26Å; S230-F233 PolarHBondContact O-N 2.74Å; S230-F233 WeakPolarHBondContact OG-CD2 3.17Å; F233-T235 PolarHBondContact O-N 2.68Å; F233-T235 VanDerWaalsContact O-N 3.13Å; F233-Q236 PolarHBondContact O-N 2.86Å; F233-A237 HydrophobicContact CB-CB 4.27Å; F233-A237 HydrophobicContact CD1-CB 4.2Å; F233-A237 WeakPolarHBondContact O-CB 3.26Å; F233-A237 PolarHBondContact O-N 3.47Å; F233-L260 HydrophobicContact CD1-CB 4.44Å; F233-L260 HydrophobicContact CD1-CD2 4.01Å; F233-L260 HydrophobicContact CD2-CD2 3.98Å; F233-L260 HydrophobicContact CE1-CB 3.81Å; F233-L260 HydrophobicContact CE1-CD2 3.87Å; F233-L260 HydrophobicContact CE1-CG 4.38Å; F233-L260 HydrophobicContact CE2-CD2 3.83Å; F233-L260 HydrophobicContact CG-CD2 4.1Å; F233-L260 HydrophobicContact CZ-CB 4.13Å; F233-L260 HydrophobicContact CZ-CD2 3.8Å; F233-L260 WeakPolarHBondContact CZ-O 3.14Å; F233-L263 HydrophobicContact CE2-CB 4.04Å; F233-L263 HydrophobicContact CE2-CD1 4.02Å; F233-L263 HydrophobicContact CZ-CB 3.69Å; F233-L263 HydrophobicContact CZ-CD1 4.32Å; F233-Q264 HydrophobicContact CE1-CG 3.8Å; F233-Q264 HydrophobicContact CZ-CG 4.06Å; F233-T278 HydrophobicContact CD1-CG2 3.82Å; F233-T278 HydrophobicContact CE1-CG2 3.82Å
234	E	87.8	Confident	87.7	Confident	86 Å²	86	38.3 Å²	38.3	40%	0.402	20%	0.201	S	C	.	.	H	α-helix	trans	-56.5	-29.7	176.6	-164.7	-156.9	136.7	0	0	112.7	D181 T214 S230 K231 Y232	D181-E234 VanDerWaalsContact OD1-O 3.1Å; T214-E234 HydrophobicContact CG2-CB 3.89Å; T214-E234 HydrophobicContact CG2-CG 4.36Å; S230-E234 PolarHBondContact O-N 2.84Å; S230-E234 VanDerWaalsContact O-N 3.08Å; K231-E234 HydrophobicContact CD-CB 4.48Å; K231-E234 WeakPolarHBondContact CD-OE2 3.04Å; K231-E234 IonicContact NZ-OE1 3.52Å; K231-E234 PolarHBondContact NZ-OE1 3.17Å; K231-E234 IonicContact NZ-OE2 2.79Å; K231-E234 PolarHBondContact NZ-OE2 3.24Å; K231-E234 PolarHBondContact O-N 3Å; Y232-E234 VanDerWaalsContact C-N 3.33Å; Y232-E234 PolarHBondContact O-N 3.08Å
235	T	87.4	Confident	88	Confident	44 Å²	44	35.2 Å²	35.2	27%	0.27	18%	0.179	S	C	.	.	H	α-helix	trans	-104	-2.9	-174.9	55.4	0	0	0	0	114.5	D181 K231 Y232 F233	D181-T235 WeakPolarHBondContact CB-O 3.44Å; K231-T235 HydrophobicContact CD-CG2 4.4Å; K231-T235 WeakPolarHBondContact O-CG2 3.36Å; K231-T235 PolarHBondContact O-N 2.94Å; K231-T235 PolarHBondContact O-OG1 2.93Å; Y232-T235 PolarHBondContact O-N 3.12Å; Y232-T235 VanDerWaalsContact O-N 3.15Å; Y232-T235 PolarHBondContact O-OG1 2.84Å; Y232-T235 VanDerWaalsContact O-OG1 3.08Å; F233-T235 PolarHBondContact O-N 2.68Å; F233-T235 VanDerWaalsContact O-N 3.13Å
236	Q	89.3	Confident	87.9	Confident	68 Å²	68	30.4 Å²	30.4	32%	0.318	16%	0.162	S	C	.	.	H	α-helix	trans	-138	-28.8	-175.5	-62.3	-61.7	-37	0	0	114.3	Y232 F233 R238 S239 A240	Y232-Q236 HydrophobicContact CD2-CG 3.93Å; Y232-Q236 HydrophobicContact CE1-CB 4.48Å; Y232-Q236 HydrophobicContact CE1-CG 4.33Å; Y232-Q236 HydrophobicContact CE2-CG 3.62Å; Y232-Q236 HydrophobicContact CG-CG 4.48Å; Y232-Q236 WeakPolarHBondContact O-CB 3.41Å; Y232-Q236 PolarHBondContact O-N 2.73Å; F233-Q236 PolarHBondContact O-N 2.86Å; Q236-R238 PolarHBondContact O-N 3Å; Q236-S239 PolarHBondContact O-OG 2.73Å; Q236-S239 VanDerWaalsContact O-OG 3.09Å; Q236-A240 WeakPolarHBondContact O-CB 3.49Å; Q236-A240 PolarHBondContact O-N 3.26Å
237	A	89.6	Confident	87.3	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-70	-37.6	-163.1	0	0	0	0	0	114.1	D181 F213 F233 T241 L260 T278	D181-A237 PolarHBondContact OD2-N 3.26Å; F213-A237 HydrophobicContact CD1-CB 3.56Å; F213-A237 HydrophobicContact CE1-CB 3.75Å; F233-A237 HydrophobicContact CB-CB 4.27Å; F233-A237 HydrophobicContact CD1-CB 4.2Å; F233-A237 WeakPolarHBondContact O-CB 3.26Å; F233-A237 PolarHBondContact O-N 3.47Å; A237-T241 PolarHBondContact O-N 2.04Å; A237-T241 VanDerWaalsContact O-N 3.08Å; A237-T241 PolarHBondContact O-OG1 3.47Å; A237-L260 HydrophobicContact CB-CD1 3.82Å; A237-T278 HydrophobicContact CB-CG2 3.89Å
238	R	87.5	Confident	86.7	Confident	71 Å²	71	31 Å²	31	27%	0.268	16%	0.164	S	C	.	.	H	α-helix	trans	-77.4	-42.6	-178.3	-64	-178.9	-67	-165.3	-6.5	110.9	V180 D181 V206 P207 F213 Q236 T241 A242	V180-R238 HydrophobicContact CG1-CB 3.48Å; V180-R238 VanDerWaalsContact CG1-CB 3.48Å; V180-R238 HydrophobicContact CG1-CG 4.44Å; D181-R238 IonicContact OD1-CZ 2.59Å; D181-R238 IonicContact OD1-NE 3.66Å; D181-R238 PolarHBondContact OD1-NE 3.13Å; D181-R238 IonicContact OD1-NH2 3.44Å; D181-R238 PolarHBondContact OD1-NH2 3.39Å; D181-R238 WeakPolarHBondContact OD2-CA 3.45Å; D181-R238 WeakPolarHBondContact OD2-CB 3.27Å; D181-R238 PolarHBondContact OD2-N 2.77Å; V206-R238 HydrophobicContact CG1-CB 4.47Å; P207-R238 HydrophobicContact CG-CB 4.33Å; P207-R238 HydrophobicContact CG-CG 4.27Å; F213-R238 HydrophobicContact CD1-CG 4.33Å; F213-R238 HydrophobicContact CE1-CG 4.36Å; Q236-R238 PolarHBondContact O-N 3Å; R238-T241 PolarHBondContact O-N 2.91Å; R238-A242 WeakPolarHBondContact O-CB 3.45Å; R238-A242 PolarHBondContact O-N 2.94Å
239	S	86	Confident	86.2	Confident	6 Å²	6	31.2 Å²	31.2	4%	0.042	17%	0.165	C	C	.	.	H	α-helix	trans	-63	-42.2	173.9	59.7	0	0	0	0	111.6	D181 Q236 T241 A242 F243	D181-S239 PolarHBondContact OD2-N 3.11Å; D181-S239 PolarHBondContact OD2-OG 3.12Å; Q236-S239 PolarHBondContact O-OG 2.73Å; Q236-S239 VanDerWaalsContact O-OG 3.09Å; S239-T241 VanDerWaalsContact C-N 3.35Å; S239-T241 PolarHBondContact O-N 3.22Å; S239-A242 PolarHBondContact O-N 3.22Å; S239-F243 WeakPolarHBondContact O-CB 3.3Å; S239-F243 WeakPolarHBondContact O-CD2 3.42Å; S239-F243 PolarHBondContact O-N 2.83Å
240	A	90.2	Very high	85.8	Confident	1 Å²	1	31 Å²	31	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-58.1	-45.3	174.2	0	0	0	0	0	112.1	Q236 C244 L256 L260	Q236-A240 WeakPolarHBondContact O-CB 3.49Å; Q236-A240 PolarHBondContact O-N 3.26Å; A240-C244 VanDerWaalsContact O-CB 3.23Å; A240-C244 WeakPolarHBondContact O-CB 3.41Å; A240-C244 PolarHBondContact O-N 2.79Å; A240-L256 HydrophobicContact CB-CB 4.39Å; A240-L256 HydrophobicContact CB-CD2 3.62Å; A240-L256 HydrophobicContact CB-CG 3.72Å; A240-L260 HydrophobicContact CB-CD1 4.27Å
241	T	88.1	Confident	85.5	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.6	-47.7	175.2	-56.6	0	0	0	0	111.5	P207 A237 R238 S239 C244 S245 L257 E281 L285	P207-T241 HydrophobicContact CG-CG2 3.85Å; A237-T241 PolarHBondContact O-N 2.04Å; A237-T241 VanDerWaalsContact O-N 3.08Å; A237-T241 PolarHBondContact O-OG1 3.47Å; R238-T241 PolarHBondContact O-N 2.91Å; S239-T241 VanDerWaalsContact C-N 3.35Å; S239-T241 PolarHBondContact O-N 3.22Å; T241-C244 PolarHBondContact O-N 2.79Å; T241-S245 PolarHBondContact O-N 2.89Å; T241-L257 WeakPolarHBondContact OG1-CD1 3.35Å; T241-E281 HydrophobicContact CG2-CB 3.82Å; T241-E281 HydrophobicContact CG2-CG 3.99Å; T241-L285 HydrophobicContact CG2-CD1 4.3Å
242	A	84.3	Confident	85.5	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.2	-47.1	-179.2	0	0	0	0	0	112.1	F185 V205 V206 R238 S239 C244 S245 Y248	F185-A242 HydrophobicContact CD1-CB 4.17Å; F185-A242 HydrophobicContact CE1-CB 3.4Å; F185-A242 VanDerWaalsContact CE1-CB 3.4Å; F185-A242 HydrophobicContact CE2-CB 4.15Å; F185-A242 HydrophobicContact CZ-CB 3.39Å; V205-A242 HydrophobicContact CG1-CB 3.97Å; V205-A242 VanDerWaalsContact O-CA 3.25Å; V205-A242 WeakPolarHBondContact O-CA 3.35Å; V205-A242 WeakPolarHBondContact O-CB 3.15Å; V206-A242 HydrophobicContact CB-CB 4.48Å; V206-A242 HydrophobicContact CG2-CB 3.65Å; R238-A242 WeakPolarHBondContact O-CB 3.45Å; R238-A242 PolarHBondContact O-N 2.94Å; S239-A242 PolarHBondContact O-N 3.22Å; A242-C244 VanDerWaalsContact C-N 3.3Å; A242-C244 PolarHBondContact O-N 2.82Å; A242-S245 WeakPolarHBondContact O-CB 3.44Å; A242-S245 PolarHBondContact O-N 2.82Å; A242-S245 VanDerWaalsContact O-N 3.13Å; A242-S245 PolarHBondContact O-OG 3.5Å; A242-Y248 VanDerWaalsContact O-CD2 3.23Å; A242-Y248 WeakPolarHBondContact O-CD2 3.2Å
243	F	85.2	Confident	85.4	Confident	48 Å²	48	31.6 Å²	31.6	21%	0.211	17%	0.17	C	C	.	.	H	α-helix	trans	-65.8	-30.7	175.6	-77.5	-63.7	0	0	0	113.3	M163 V183 F185 S239 S245 Y248 N250 A253	M163-F243 HydrophobicContact CE-CD1 4.13Å; M163-F243 HydrophobicContact CE-CE1 3.08Å; M163-F243 HydrophobicContact CE-CE2 4.44Å; M163-F243 HydrophobicContact CE-CZ 3.26Å; V183-F243 HydrophobicContact CG1-CE2 4.12Å; V183-F243 HydrophobicContact CG1-CZ 3.89Å; V183-F243 HydrophobicContact CG2-CE2 4.17Å; F185-F243 HydrophobicContact CZ-CE2 4.32Å; S239-F243 WeakPolarHBondContact O-CB 3.3Å; S239-F243 WeakPolarHBondContact O-CD2 3.42Å; S239-F243 PolarHBondContact O-N 2.83Å; F243-S245 VanDerWaalsContact C-N 3.3Å; F243-Y248 HydrophobicContact CD1-CD1 4.39Å; F243-Y248 HydrophobicContact CD1-CG 4.34Å; F243-Y248 VanDerWaalsContact O-CB 3.25Å; F243-Y248 WeakPolarHBondContact O-CB 3.22Å; F243-N250 HydrophobicContact CB-CB 4.23Å; F243-N250 VanDerWaalsContact O-CB 3.31Å; F243-N250 WeakPolarHBondContact O-CB 3.05Å; F243-N250 PolarHBondContact O-N 3.28Å; F243-A253 HydrophobicContact CB-CB 3.34Å; F243-A253 HydrophobicContact CG-CB 4.46Å
244	C	88.4	Confident	85.5	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-76.2	-17.5	174.3	-179.1	0	0	0	0	113.2	A240 T241 A242 A253 C254 L257 L285 R289	A240-C244 VanDerWaalsContact O-CB 3.23Å; A240-C244 WeakPolarHBondContact O-CB 3.41Å; A240-C244 PolarHBondContact O-N 2.79Å; T241-C244 PolarHBondContact O-N 2.79Å; A242-C244 VanDerWaalsContact C-N 3.3Å; A242-C244 PolarHBondContact O-N 2.82Å; C244-A253 HydrophobicContact CB-CB 4.49Å; C244-C254 WeakPolarHBondContact CA-SG 3.35Å; C244-C254 HydrophobicContact CB-CB 3.95Å; C244-C254 WeakPolarHBondContact CB-SG 3.42Å; C244-C254 PolarHBondContact O-SG 2.82Å; C244-C254 VanDerWaalsContact O-SG 3.39Å; C244-C254 WeakPolarHBondContact SG-CA 3.33Å; C244-C254 WeakPolarHBondContact SG-CB 3.49Å; C244-C254 CovalentContact SG-SG 2.04Å; C244-C254 PolarHBondContact SG-SG 3.44Å; C244-L257 HydrophobicContact CB-CD2 4.17Å; C244-L285 HydrophobicContact CB-CD1 3.91Å; C244-R289 PolarHBondContact O-NH1 2.92Å; C244-R289 PolarHBondContact O-NH2 3.44Å
245	S	85.4	Confident	85.8	Confident	3 Å²	3	27.5 Å²	27.5	2%	0.021	15%	0.151	C	C	.	.	S	Bend	trans	-56.9	160.1	-179	74.7	0	0	0	0	112.7	V205 T241 A242 F243 A247 Y248 N249	V205-S245 WeakPolarHBondContact CG1-OG 3.22Å; T241-S245 PolarHBondContact O-N 2.89Å; A242-S245 WeakPolarHBondContact O-CB 3.44Å; A242-S245 PolarHBondContact O-N 2.82Å; A242-S245 VanDerWaalsContact O-N 3.13Å; A242-S245 PolarHBondContact O-OG 3.5Å; F243-S245 VanDerWaalsContact C-N 3.3Å; S245-A247 PolarHBondContact O-N 2.77Å; S245-A247 PolarHBondContact OG-N 2.76Å; S245-Y248 PolarHBondContact O-N 2.95Å; S245-N249 WeakPolarHBondContact O-CA 3.19Å; S245-N249 PolarHBondContact O-N 3.16Å
246	T	78.4	Confident	86.2	Confident	81 Å²	81	26 Å²	26	50%	0.497	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-19.9	175.9	52.7	0	0	0	0	113.5	Q288	T246-Q288 HydrophobicContact CG2-CB 4.2Å
247	A	72.5	Confident	86.4	Confident	48 Å²	48	22.8 Å²	22.8	40%	0.397	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-36.9	175.9	0	0	0	0	0	113	V205 S245	V205-A247 HydrophobicContact CG1-CB 4.37Å; V205-A247 HydrophobicContact CG2-CB 3.68Å; S245-A247 PolarHBondContact O-N 2.77Å; S245-A247 PolarHBondContact OG-N 2.76Å
248	Y	74.8	Confident	86.7	Confident	32 Å²	32	22.8 Å²	22.8	13%	0.125	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-25.9	-176.4	-67.9	-81	0	0	0	113.4	F78 M163 F185 V205 A242 F243 S245 N250	F78-Y248 HydrophobicContact CD1-CD1 4.46Å; M163-Y248 HydrophobicContact CE-CE1 3.97Å; M163-Y248 HydrophobicContact SD-CE1 3.74Å; F185-Y248 HydrophobicContact CD1-CE2 4.14Å; F185-Y248 HydrophobicContact CE1-CE2 4.12Å; V205-Y248 HydrophobicContact CG1-CD2 3.88Å; V205-Y248 HydrophobicContact CG1-CE2 3.66Å; A242-Y248 VanDerWaalsContact O-CD2 3.23Å; A242-Y248 WeakPolarHBondContact O-CD2 3.2Å; F243-Y248 HydrophobicContact CD1-CD1 4.39Å; F243-Y248 HydrophobicContact CD1-CG 4.34Å; F243-Y248 VanDerWaalsContact O-CB 3.25Å; F243-Y248 WeakPolarHBondContact O-CB 3.22Å; S245-Y248 PolarHBondContact O-N 2.95Å; Y248-N250 PolarHBondContact O-N 3.38Å
249	N	78.3	Confident	87.2	Confident	26 Å²	26	19.4 Å²	19.4	14%	0.139	11%	0.114	C	C	.	.			trans	46.1	35.3	176.8	-153	40.6	0	0	0	115.1	S245 I251 R289	S245-N249 WeakPolarHBondContact O-CA 3.19Å; S245-N249 PolarHBondContact O-N 3.16Å; N249-I251 PolarHBondContact O-N 2.9Å; N249-R289 PolarHBondContact OD1-NH2 3.37Å
250	N	83.2	Confident	87.6	Confident	55 Å²	55	19.2 Å²	19.2	29%	0.294	11%	0.112	S	C	.	.			trans	-79.1	112.7	-178.3	-176.2	-34.2	0	0	0	110.5	F243 Y248 T252 A253 C254	F243-N250 HydrophobicContact CB-CB 4.23Å; F243-N250 VanDerWaalsContact O-CB 3.31Å; F243-N250 WeakPolarHBondContact O-CB 3.05Å; F243-N250 PolarHBondContact O-N 3.28Å; Y248-N250 PolarHBondContact O-N 3.38Å; N250-T252 PolarHBondContact O-N 3.08Å; N250-T252 PolarHBondContact OD1-N 2.91Å; N250-A253 HydrophobicContact CB-CB 3.88Å; N250-A253 WeakPolarHBondContact O-CB 3.37Å; N250-A253 PolarHBondContact O-N 2.89Å; N250-A253 PolarHBondContact OD1-N 3.37Å; N250-A253 VanDerWaalsContact OD1-N 3.08Å; N250-C254 PolarHBondContact O-N 2.94Å; N250-C254 PolarHBondContact O-SG 2.86Å
251	I	86.7	Confident	87.8	Confident	17 Å²	17	19.1 Å²	19.1	9%	0.087	11%	0.111	C	C	.	.	H	α-helix	trans	-62	-44.2	-176.7	-64.4	168.2	0	0	0	111.7	Y39 N41 S42 A43 N249 A253 C254 Q255	Y39-I251 HydrophobicContact CE2-CD1 4.09Å; N41-I251 WeakPolarHBondContact ND2-CD1 3.41Å; S42-I251 WeakPolarHBondContact OG-CG2 3.23Å; A43-I251 HydrophobicContact CB-CG2 3.78Å; N249-I251 PolarHBondContact O-N 2.9Å; I251-A253 VanDerWaalsContact C-N 3.29Å; I251-A253 PolarHBondContact O-N 3.44Å; I251-C254 CarbonylContact O-C 3.48Å; I251-C254 WeakPolarHBondContact O-CA 3.02Å; I251-C254 WeakPolarHBondContact O-CB 3.27Å; I251-C254 PolarHBondContact O-N 3.3Å; I251-C254 VanDerWaalsContact O-N 3.09Å; I251-Q255 WeakPolarHBondContact O-CG 3.4Å; I251-Q255 PolarHBondContact O-N 3.33Å
252	T	90	Very high	88.2	Confident	67 Å²	67	19.2 Å²	19.2	41%	0.411	11%	0.112	S	C	.	.	H	α-helix	trans	-63.1	-39.3	178.7	-50.4	0	0	0	0	110.7	N250 C254 Q255 L256	N250-T252 PolarHBondContact O-N 3.08Å; N250-T252 PolarHBondContact OD1-N 2.91Å; T252-C254 VanDerWaalsContact C-N 3.34Å; T252-C254 PolarHBondContact O-N 3.13Å; T252-Q255 PolarHBondContact O-N 2.92Å; T252-L256 PolarHBondContact O-N 2.8Å
253	A	89.9	Confident	88.8	Confident	9 Å²	9	19.2 Å²	19.2	7%	0.074	11%	0.112	C	C	.	.	H	α-helix	trans	-66.7	-35	173.6	0	0	0	0	0	112.5	F243 C244 N250 I251 L256 L257	F243-A253 HydrophobicContact CB-CB 3.34Å; F243-A253 HydrophobicContact CG-CB 4.46Å; C244-A253 HydrophobicContact CB-CB 4.49Å; N250-A253 HydrophobicContact CB-CB 3.88Å; N250-A253 WeakPolarHBondContact O-CB 3.37Å; N250-A253 PolarHBondContact O-N 2.89Å; N250-A253 PolarHBondContact OD1-N 3.37Å; N250-A253 VanDerWaalsContact OD1-N 3.08Å; I251-A253 VanDerWaalsContact C-N 3.29Å; I251-A253 PolarHBondContact O-N 3.44Å; A253-L256 WeakPolarHBondContact O-CB 3.42Å; A253-L256 PolarHBondContact O-N 3.31Å; A253-L257 WeakPolarHBondContact O-CB 3.4Å; A253-L257 PolarHBondContact O-N 3.29Å
254	C	92.8	Very high	89.1	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67.6	-35.6	172.2	-69.9	0	0	0	0	113	C244 N250 I251 T252 L257 A258 P304	C244-C254 WeakPolarHBondContact CA-SG 3.35Å; C244-C254 HydrophobicContact CB-CB 3.95Å; C244-C254 WeakPolarHBondContact CB-SG 3.42Å; C244-C254 PolarHBondContact O-SG 2.82Å; C244-C254 VanDerWaalsContact O-SG 3.39Å; C244-C254 WeakPolarHBondContact SG-CA 3.33Å; C244-C254 WeakPolarHBondContact SG-CB 3.49Å; C244-C254 CovalentContact SG-SG 2.04Å; C244-C254 PolarHBondContact SG-SG 3.44Å; N250-C254 PolarHBondContact O-N 2.94Å; N250-C254 PolarHBondContact O-SG 2.86Å; I251-C254 CarbonylContact O-C 3.48Å; I251-C254 WeakPolarHBondContact O-CA 3.02Å; I251-C254 WeakPolarHBondContact O-CB 3.27Å; I251-C254 PolarHBondContact O-N 3.3Å; I251-C254 VanDerWaalsContact O-N 3.09Å; T252-C254 VanDerWaalsContact C-N 3.34Å; T252-C254 PolarHBondContact O-N 3.13Å; C254-L257 PolarHBondContact O-N 3.26Å; C254-A258 WeakPolarHBondContact O-CB 3.3Å; C254-A258 PolarHBondContact O-N 2.57Å; C254-P304 HydrophobicContact CB-CG 4.35Å
255	Q	94.5	Very high	89.4	Confident	1 Å²	1	18 Å²	18	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-66.4	-40.8	171.3	-69.6	-69.8	7.6	0	0	111.7	S42 I251 T252 A258 N259 P304 F339 G343 R472	S42-Q255 PolarHBondContact O-NE2 2.94Å; I251-Q255 WeakPolarHBondContact O-CG 3.4Å; I251-Q255 PolarHBondContact O-N 3.33Å; T252-Q255 PolarHBondContact O-N 2.92Å; Q255-A258 WeakPolarHBondContact O-CB 3.31Å; Q255-A258 PolarHBondContact O-N 2.91Å; Q255-N259 PolarHBondContact O-N 3.06Å; Q255-N259 PolarHBondContact O-OD1 2.9Å; Q255-P304 VanDerWaalsContact CD-CG 3.4Å; Q255-P304 HydrophobicContact CG-CG 4Å; Q255-P304 VanDerWaalsContact OE1-CG 3.31Å; Q255-F339 VanDerWaalsContact CD-CE1 3.45Å; Q255-F339 HydrophobicContact CG-CD1 4.36Å; Q255-F339 HydrophobicContact CG-CE1 4.23Å; Q255-F339 VanDerWaalsContact NE2-CE1 3.3Å; Q255-G343 VanDerWaalsContact CB-O 3.24Å; Q255-G343 WeakPolarHBondContact CB-O 3.11Å; Q255-R472 VanDerWaalsContact OE1-CZ 3.29Å
256	L	95.1	Very high	89.6	Confident	13 Å²	13	18 Å²	18	7%	0.068	11%	0.107	C	C	.	.	H	α-helix	trans	-60	-48.4	172.3	171.8	57.4	0	0	0	111	Y232 A240 T252 A253 A258 N259 L260 I341	Y232-L256 HydrophobicContact CE1-CD1 4.4Å; A240-L256 HydrophobicContact CB-CB 4.39Å; A240-L256 HydrophobicContact CB-CD2 3.62Å; A240-L256 HydrophobicContact CB-CG 3.72Å; T252-L256 PolarHBondContact O-N 2.8Å; A253-L256 WeakPolarHBondContact O-CB 3.42Å; A253-L256 PolarHBondContact O-N 3.31Å; L256-A258 VanDerWaalsContact C-N 3.28Å; L256-A258 PolarHBondContact O-N 3.45Å; L256-N259 WeakPolarHBondContact O-CB 3.41Å; L256-N259 PolarHBondContact O-N 3.13Å; L256-N259 VanDerWaalsContact O-N 3.16Å; L256-L260 HydrophobicContact CD1-CD1 4.22Å; L256-L260 HydrophobicContact CD1-CG 4.13Å; L256-L260 HydrophobicContact CG-CD1 4.28Å; L256-L260 VanDerWaalsContact O-CG 3.31Å; L256-L260 WeakPolarHBondContact O-CG 3.48Å; L256-L260 PolarHBondContact O-N 2.91Å; L256-I341 WeakPolarHBondContact CD1-O 3.42Å
257	L	94.6	Very high	90.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59.6	-40	176	-177.5	63.1	0	0	0	111.8	T241 C244 A253 C254 L260 C261 F282 L285	T241-L257 WeakPolarHBondContact OG1-CD1 3.35Å; C244-L257 HydrophobicContact CB-CD2 4.17Å; A253-L257 WeakPolarHBondContact O-CB 3.4Å; A253-L257 PolarHBondContact O-N 3.29Å; C254-L257 PolarHBondContact O-N 3.26Å; L257-L260 PolarHBondContact O-N 2.87Å; L257-C261 PolarHBondContact O-N 3.03Å; L257-F282 HydrophobicContact CD2-CB 4.24Å; L257-F282 HydrophobicContact CD2-CD2 4.2Å; L257-F282 HydrophobicContact CG-CB 4.27Å; L257-F282 HydrophobicContact CG-CD2 4.11Å; L257-L285 HydrophobicContact CD2-CD1 3.8Å
258	A	95.9	Very high	90.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61.5	-45.8	174.9	0	0	0	0	0	111.7	C254 Q255 L256 L260 C261 T262 F282 P304 L306	C254-A258 WeakPolarHBondContact O-CB 3.3Å; C254-A258 PolarHBondContact O-N 2.57Å; Q255-A258 WeakPolarHBondContact O-CB 3.31Å; Q255-A258 PolarHBondContact O-N 2.91Å; L256-A258 VanDerWaalsContact C-N 3.28Å; L256-A258 PolarHBondContact O-N 3.45Å; A258-L260 PolarHBondContact O-N 3.27Å; A258-C261 WeakPolarHBondContact O-CB 3.46Å; A258-C261 PolarHBondContact O-N 3.09Å; A258-T262 PolarHBondContact O-N 3.45Å; A258-T262 PolarHBondContact O-OG1 3.49Å; A258-T262 VanDerWaalsContact O-OG1 3.09Å; A258-F282 HydrophobicContact CB-CD2 4.24Å; A258-F282 HydrophobicContact CB-CE2 3.64Å; A258-F282 HydrophobicContact CB-CZ 4.34Å; A258-P304 HydrophobicContact CB-CB 4.02Å; A258-P304 HydrophobicContact CB-CG 4.06Å; A258-L306 HydrophobicContact CB-CD1 3.89Å; A258-L306 HydrophobicContact CB-CD2 4.22Å; A258-L306 HydrophobicContact CB-CG 4.16Å
259	N	96.8	Very high	90.7	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-62.3	-41.8	177.2	-68.8	-11.1	0	0	0	112	Q255 L256 C261 T262 L263 K340 F398 R472	Q255-N259 PolarHBondContact O-N 3.06Å; Q255-N259 PolarHBondContact O-OD1 2.9Å; L256-N259 WeakPolarHBondContact O-CB 3.41Å; L256-N259 PolarHBondContact O-N 3.13Å; L256-N259 VanDerWaalsContact O-N 3.16Å; N259-C261 VanDerWaalsContact C-N 3.33Å; N259-C261 PolarHBondContact O-N 3.32Å; N259-T262 PolarHBondContact O-N 3.45Å; N259-L263 WeakPolarHBondContact O-CG 3.34Å; N259-L263 PolarHBondContact O-N 3.08Å; N259-K340 PolarHBondContact ND2-O 3.05Å; N259-F398 HydrophobicContact CB-CD1 4.23Å; N259-F398 HydrophobicContact CB-CD2 4.03Å; N259-F398 HydrophobicContact CB-CE1 3.99Å; N259-F398 HydrophobicContact CB-CE2 3.81Å; N259-F398 HydrophobicContact CB-CG 4.25Å; N259-F398 HydrophobicContact CB-CZ 3.78Å; N259-F398 WeakPolarHBondContact O-CE1 3.29Å; N259-R472 WeakPolarHBondContact OD1-CD 3.46Å; N259-R472 PolarHBondContact OD1-NH1 2.87Å
260	L	95.2	Very high	90.2	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-61.9	-41.6	174.7	-67.6	174.1	0	0	0	111.4	Y232 F233 A237 A240 L256 L257 A258 L263 Q264 T278	Y232-L260 HydrophobicContact CD1-CD2 3.94Å; Y232-L260 HydrophobicContact CE1-CD2 3.81Å; F233-L260 HydrophobicContact CD1-CB 4.44Å; F233-L260 HydrophobicContact CD1-CD2 4.01Å; F233-L260 HydrophobicContact CD2-CD2 3.98Å; F233-L260 HydrophobicContact CE1-CB 3.81Å; F233-L260 HydrophobicContact CE1-CD2 3.87Å; F233-L260 HydrophobicContact CE1-CG 4.38Å; F233-L260 HydrophobicContact CE2-CD2 3.83Å; F233-L260 HydrophobicContact CG-CD2 4.1Å; F233-L260 HydrophobicContact CZ-CB 4.13Å; F233-L260 HydrophobicContact CZ-CD2 3.8Å; F233-L260 WeakPolarHBondContact CZ-O 3.14Å; A237-L260 HydrophobicContact CB-CD1 3.82Å; A240-L260 HydrophobicContact CB-CD1 4.27Å; L256-L260 HydrophobicContact CD1-CD1 4.22Å; L256-L260 HydrophobicContact CD1-CG 4.13Å; L256-L260 HydrophobicContact CG-CD1 4.28Å; L256-L260 VanDerWaalsContact O-CG 3.31Å; L256-L260 WeakPolarHBondContact O-CG 3.48Å; L256-L260 PolarHBondContact O-N 2.91Å; L257-L260 PolarHBondContact O-N 2.87Å; A258-L260 PolarHBondContact O-N 3.27Å; L260-L263 CarbonylContact O-C 3.42Å; L260-L263 WeakPolarHBondContact O-CB 2.96Å; L260-L263 PolarHBondContact O-N 2.77Å; L260-Q264 PolarHBondContact O-N 3.07Å; L260-T278 HydrophobicContact CB-CG2 4.12Å; L260-T278 PolarHBondContact O-OG1 3.1Å
261	C	94.5	Very high	89	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.1	-40.5	173.2	173.5	0	0	0	0	112.3	L257 A258 N259 L263 Q264 L265 N266 T278 C279 L306 Y307	L257-C261 PolarHBondContact O-N 3.03Å; A258-C261 WeakPolarHBondContact O-CB 3.46Å; A258-C261 PolarHBondContact O-N 3.09Å; N259-C261 VanDerWaalsContact C-N 3.33Å; N259-C261 PolarHBondContact O-N 3.32Å; C261-L263 VanDerWaalsContact C-N 3.29Å; C261-L263 PolarHBondContact O-N 2.82Å; C261-Q264 CarbonylContact O-C 3.59Å; C261-Q264 WeakPolarHBondContact O-CA 3.13Å; C261-Q264 PolarHBondContact O-N 3.43Å; C261-L265 PolarHBondContact O-N 3.49Å; C261-N266 PolarHBondContact O-N 3.04Å; C261-T278 WeakPolarHBondContact CA-OG1 3.41Å; C261-T278 PolarHBondContact N-OG1 3.15Å; C261-C279 VanDerWaalsContact C-SG 3.54Å; C261-C279 WeakPolarHBondContact CA-SG 3.39Å; C261-C279 HydrophobicContact CB-CB 4.02Å; C261-C279 WeakPolarHBondContact CB-SG 3.23Å; C261-C279 PolarHBondContact O-SG 2.67Å; C261-C279 WeakPolarHBondContact SG-CA 3.48Å; C261-C279 WeakPolarHBondContact SG-CB 3.33Å; C261-C279 CovalentContact SG-SG 2.05Å; C261-C279 PolarHBondContact SG-SG 2.78Å; C261-L306 HydrophobicContact CB-CD1 4.1Å; C261-Y307 PolarHBondContact SG-OH 3.08Å
262	T	96	Very high	87.1	Confident	2 Å²	2	21.7 Å²	21.7	1%	0.012	13%	0.134	C	C	.	.	H	α-helix	trans	-62.6	-36.9	173.7	-53.5	0	0	0	0	112.1	A258 N259 Q264 L265 N266 F398 R472 F474	A258-T262 PolarHBondContact O-N 3.45Å; A258-T262 PolarHBondContact O-OG1 3.49Å; A258-T262 VanDerWaalsContact O-OG1 3.09Å; N259-T262 PolarHBondContact O-N 3.45Å; T262-Q264 VanDerWaalsContact C-N 3.26Å; T262-Q264 PolarHBondContact O-N 3.36Å; T262-L265 VanDerWaalsContact O-CA 3.29Å; T262-L265 WeakPolarHBondContact O-CA 3.45Å; T262-L265 PolarHBondContact O-N 3.25Å; T262-N266 WeakPolarHBondContact CA-OD1 3.28Å; T262-F398 HydrophobicContact CG2-CD1 4.12Å; T262-F398 HydrophobicContact CG2-CE1 4.29Å; T262-R472 HydrophobicContact CG2-CB 4.23Å; T262-R472 HydrophobicContact CG2-CG 4.04Å; T262-F474 HydrophobicContact CG2-CD1 3.94Å; T262-F474 HydrophobicContact CG2-CE1 4.35Å
263	L	95.6	Very high	84.9	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-68.2	-22.8	171.4	-71.7	175.9	0	0	0	112.6	F233 N259 L260 C261 L265 L396 F398 F474 D477 R494	F233-L263 HydrophobicContact CE2-CB 4.04Å; F233-L263 HydrophobicContact CE2-CD1 4.02Å; F233-L263 HydrophobicContact CZ-CB 3.69Å; F233-L263 HydrophobicContact CZ-CD1 4.32Å; N259-L263 WeakPolarHBondContact O-CG 3.34Å; N259-L263 PolarHBondContact O-N 3.08Å; L260-L263 CarbonylContact O-C 3.42Å; L260-L263 WeakPolarHBondContact O-CB 2.96Å; L260-L263 PolarHBondContact O-N 2.77Å; C261-L263 VanDerWaalsContact C-N 3.29Å; C261-L263 PolarHBondContact O-N 2.82Å; L263-L265 PolarHBondContact O-N 3.43Å; L263-L396 HydrophobicContact CD1-CD2 4.3Å; L263-L396 HydrophobicContact CD2-CD1 4.3Å; L263-L396 HydrophobicContact CD2-CD2 4.11Å; L263-F398 HydrophobicContact CD1-CZ 3.93Å; L263-F398 HydrophobicContact CD2-CE1 4.06Å; L263-F398 HydrophobicContact CD2-CZ 3.89Å; L263-F398 HydrophobicContact CG-CE1 3.86Å; L263-F398 HydrophobicContact CG-CZ 3.65Å; L263-F474 HydrophobicContact CD2-CD1 4.34Å; L263-F474 HydrophobicContact CD2-CE1 4.27Å; L263-D477 HydrophobicContact CD2-CB 3.99Å; L263-R494 PolarHBondContact O-NH1 2.82Å; L263-R494 PolarHBondContact O-NH2 3.21Å
264	Q	93	Very high	82.7	Confident	15 Å²	15	26.4 Å²	26.4	7%	0.07	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	19.2	164.8	-68.3	-170.6	-42.4	0	0	112.6	T212 L215 F233 L260 C261 T262 N266 T267 T278	T212-Q264 PolarHBondContact O-NE2 2.88Å; L215-Q264 PolarHBondContact O-NE2 3.27Å; F233-Q264 HydrophobicContact CE1-CG 3.8Å; F233-Q264 HydrophobicContact CZ-CG 4.06Å; L260-Q264 PolarHBondContact O-N 3.07Å; C261-Q264 CarbonylContact O-C 3.59Å; C261-Q264 WeakPolarHBondContact O-CA 3.13Å; C261-Q264 PolarHBondContact O-N 3.43Å; T262-Q264 VanDerWaalsContact C-N 3.26Å; T262-Q264 PolarHBondContact O-N 3.36Å; Q264-N266 PolarHBondContact O-N 3.18Å; Q264-N266 VanDerWaalsContact O-N 3.14Å; Q264-T267 HydrophobicContact CB-CG2 4.21Å; Q264-T267 WeakPolarHBondContact O-CG2 3.32Å; Q264-T267 PolarHBondContact O-N 3Å; Q264-T278 PolarHBondContact OE1-OG1 3.46Å
265	L	93.4	Very high	80.7	Confident	8 Å²	8	28 Å²	28	4%	0.042	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	31.4	179.5	-57.7	171.4	0	0	0	112.8	A219 C261 T262 L263 T267 A424 F474 Y523	A219-L265 HydrophobicContact CB-CD1 4.06Å; C261-L265 PolarHBondContact O-N 3.49Å; T262-L265 VanDerWaalsContact O-CA 3.29Å; T262-L265 WeakPolarHBondContact O-CA 3.45Å; T262-L265 PolarHBondContact O-N 3.25Å; L263-L265 PolarHBondContact O-N 3.43Å; L265-T267 PolarHBondContact O-N 3.47Å; L265-T267 VanDerWaalsContact O-N 3.16Å; L265-A424 HydrophobicContact CD1-CB 3.86Å; L265-F474 HydrophobicContact CD2-CE1 4.11Å; L265-F474 HydrophobicContact CD2-CZ 3.95Å; L265-Y523 HydrophobicContact CD2-CD2 4.04Å; L265-Y523 HydrophobicContact CD2-CE2 4.24Å; L265-Y523 HydrophobicContact CD2-CG 4.37Å
266	N	91.3	Very high	79.7	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.005	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	23.8	179.7	-66.2	69	0	0	0	114	C261 T262 Q264 L268 Y307 V425 T470	C261-N266 PolarHBondContact O-N 3.04Å; T262-N266 WeakPolarHBondContact CA-OD1 3.28Å; Q264-N266 PolarHBondContact O-N 3.18Å; Q264-N266 VanDerWaalsContact O-N 3.14Å; N266-L268 PolarHBondContact O-N 3.15Å; N266-Y307 VanDerWaalsContact C-OH 3.29Å; N266-Y307 WeakPolarHBondContact CA-OH 3.3Å; N266-Y307 HydrophobicContact CB-CE1 3.76Å; N266-Y307 WeakPolarHBondContact O-CE1 3.34Å; N266-Y307 PolarHBondContact O-OH 3.25Å; N266-V425 HydrophobicContact CB-CG2 4.27Å; N266-T470 HydrophobicContact CB-CG2 3.78Å
267	T	87.2	Confident	79.2	Confident	16 Å²	16	28.9 Å²	28.9	10%	0.098	20%	0.201	C	C	.	.			trans	-54.2	136	-176.9	-175.2	0	0	0	0	113.4	Q264 L265 Y269 C279	Q264-T267 HydrophobicContact CB-CG2 4.21Å; Q264-T267 WeakPolarHBondContact O-CG2 3.32Å; Q264-T267 PolarHBondContact O-N 3Å; L265-T267 PolarHBondContact O-N 3.47Å; L265-T267 VanDerWaalsContact O-N 3.16Å; T267-Y269 PolarHBondContact OG1-N 3.39Å; T267-C279 VanDerWaalsContact O-CB 3.29Å; T267-C279 WeakPolarHBondContact O-CB 3.42Å
268	L	83.5	Confident	79	Confident	7 Å²	7	28.9 Å²	28.9	4%	0.037	20%	0.201	C	C	.	.			trans	-102.5	-9.1	175.8	-55.9	177	0	0	0	112.3	N266 R283 Y307 I426 K428 E468	N266-L268 PolarHBondContact O-N 3.15Å; L268-R283 VanDerWaalsContact CB-NH1 3.27Å; L268-R283 PolarHBondContact O-NH1 3.16Å; L268-Y307 HydrophobicContact CD2-CD1 4.28Å; L268-Y307 HydrophobicContact CD2-CE1 3.68Å; L268-I426 WeakPolarHBondContact CB-O 3.15Å; L268-I426 PolarHBondContact N-O 2.84Å; L268-K428 HydrophobicContact CB-CG 4.1Å; L268-E468 HydrophobicContact CD1-CB 4.43Å; L268-E468 HydrophobicContact CD1-CG 3.8Å
269	Y	76.4	Confident	78.8	Confident	78 Å²	78	28.9 Å²	28.9	31%	0.306	20%	0.201	S	C	.	.			trans	-71.1	128.8	-177.1	-176.9	-120.9	0	0	0	111.4	T267 S271 I426 D427 G430	T267-Y269 PolarHBondContact OG1-N 3.39Å; Y269-S271 VanDerWaalsContact CE1-OG 3.31Å; Y269-S271 WeakPolarHBondContact CE1-OG 3.43Å; Y269-I426 HydrophobicContact CG-CG2 4.32Å; Y269-D427 VanDerWaalsContact CA-O 3.28Å; Y269-D427 WeakPolarHBondContact CA-O 3.16Å; Y269-D427 VanDerWaalsContact CB-O 3.28Å; Y269-D427 WeakPolarHBondContact CB-O 3.44Å; Y269-D427 PolarHBondContact N-O 3.23Å; Y269-G430 VanDerWaalsContact CD2-CA 3.44Å
270	E	68.9	Low	78.4	Confident	110 Å²	110	29.4 Å²	29.4	51%	0.514	21%	0.205	S	C	.	.			trans	-108.3	97.9	173.5	-69.2	172.7	-166.5	0	0	106.9	G272 R283	E270-G272 PolarHBondContact O-N 3.38Å; E270-R283 IonicContact OE1-NH2 2.77Å; E270-R283 PolarHBondContact OE1-NH2 2.9Å
271	S	57.3	Low	78	Confident	40 Å²	40	30.2 Å²	30.2	28%	0.28	21%	0.209	S	C	.	.			trans	-54.7	115.5	170.1	-62.9	0	0	0	0	107.2	Y269 T273	Y269-S271 VanDerWaalsContact CE1-OG 3.31Å; Y269-S271 WeakPolarHBondContact CE1-OG 3.43Å; S271-T273 CarbonylContact O-C 3.55Å; S271-T273 WeakPolarHBondContact O-CA 3.28Å; S271-T273 PolarHBondContact O-N 3.22Å; S271-T273 PolarHBondContact O-OG1 2.86Å
272	G	48.3	Very low	77.9	Confident	86 Å²	86	30.3 Å²	30.3	89%	0.887	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.2	7.5	-166.3	0	0	0	0	0	119.6	E270	E270-G272 PolarHBondContact O-N 3.38Å
273	T	43.1	Very low	77.6	Confident	80 Å²	80	32.9 Å²	32.9	49%	0.491	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	133.4	144.7	64.2	0	0	0	0	109.1	S271 S275	S271-T273 CarbonylContact O-C 3.55Å; S271-T273 WeakPolarHBondContact O-CA 3.28Å; S271-T273 PolarHBondContact O-N 3.22Å; S271-T273 PolarHBondContact O-OG1 2.86Å; T273-S275 VanDerWaalsContact CB-OG 3.26Å; T273-S275 WeakPolarHBondContact CB-OG 3.46Å; T273-S275 PolarHBondContact O-N 3.35Å; T273-S275 VanDerWaalsContact OG1-CB 3.26Å; T273-S275 WeakPolarHBondContact OG1-CB 3.17Å; T273-S275 PolarHBondContact OG1-OG 2.97Å
274	G	42.5	Very low	77.2	Confident	96 Å²	96	35.5 Å²	35.5	99%	0.99	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	52.3	175.7	0	0	0	0	0	113.5
275	S	52.6	Low	77	Confident	32 Å²	32	34.8 Å²	34.8	22%	0.224	23%	0.225	C	C	.	.			trans	-114	125.6	-163	-65.1	0	0	0	0	110.7	S210 T212 T273	S210-S275 VanDerWaalsContact OG-CB 3.26Å; S210-S275 WeakPolarHBondContact OG-CB 3.32Å; S210-S275 PolarHBondContact OG-OG 3.36Å; T212-S275 WeakPolarHBondContact OG1-CB 3.09Å; T273-S275 VanDerWaalsContact CB-OG 3.26Å; T273-S275 WeakPolarHBondContact CB-OG 3.46Å; T273-S275 PolarHBondContact O-N 3.35Å; T273-S275 VanDerWaalsContact OG1-CB 3.26Å; T273-S275 WeakPolarHBondContact OG1-CB 3.17Å; T273-S275 PolarHBondContact OG1-OG 2.97Å
276	A	72.5	Confident	76.8	Confident	21 Å²	21	35.1 Å²	35.1	17%	0.174	23%	0.228	C	C	.	.			trans	-82.9	120.3	178.6	0	0	0	0	0	110.7	T212 F213 S280 E281	T212-A276 PolarHBondContact OG1-O 3.41Å; F213-A276 WeakPolarHBondContact CD2-O 3.43Å; F213-A276 HydrophobicContact CE2-CB 4.11Å; F213-A276 WeakPolarHBondContact CE2-O 3.25Å; A276-S280 VanDerWaalsContact C-OG 3.23Å; A276-S280 WeakPolarHBondContact CA-OG 3.33Å; A276-S280 WeakPolarHBondContact CB-OG 3.28Å; A276-E281 HydrophobicContact CB-CG 3.9Å; A276-E281 VanDerWaalsContact CB-OE1 3.3Å; A276-E281 WeakPolarHBondContact CB-OE1 3.42Å
277	S	85.1	Confident	76.6	Confident	12 Å²	12	39.7 Å²	39.7	8%	0.084	26%	0.259	C	S	.	.			trans	-77.8	166.6	162.7	69.1	0	0	0	0	111.1	C279 S280 E281	S277-C279 PolarHBondContact O-N 3.04Å; S277-S280 PolarHBondContact N-OG 3.35Å; S277-S280 PolarHBondContact O-N 2.64Å; S277-S280 PolarHBondContact O-OG 2.63Å; S277-S280 PolarHBondContact OG-N 3.21Å; S277-S280 VanDerWaalsContact OG-N 3.08Å; S277-E281 PolarHBondContact O-N 3.38Å
278	T	90	Very high	76.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.9	-33.7	175.1	63.8	0	0	0	0	112.1	F213 F233 A237 L260 C261 Q264 F282	F213-T278 HydrophobicContact CD1-CG2 3.78Å; F213-T278 HydrophobicContact CE1-CG2 3.74Å; F233-T278 HydrophobicContact CD1-CG2 3.82Å; F233-T278 HydrophobicContact CE1-CG2 3.82Å; A237-T278 HydrophobicContact CB-CG2 3.89Å; L260-T278 HydrophobicContact CB-CG2 4.12Å; L260-T278 PolarHBondContact O-OG1 3.1Å; C261-T278 WeakPolarHBondContact CA-OG1 3.41Å; C261-T278 PolarHBondContact N-OG1 3.15Å; Q264-T278 PolarHBondContact OE1-OG1 3.46Å; T278-F282 WeakPolarHBondContact O-CB 3.41Å; T278-F282 PolarHBondContact O-N 3.09Å
279	C	91.3	Very high	76.8	Confident	0 Å²	0	44 Å²	44	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-68.4	-39.7	172.8	-69.5	0	0	0	0	113.2	C261 T267 S277 E281 F282 R283	C261-C279 VanDerWaalsContact C-SG 3.54Å; C261-C279 WeakPolarHBondContact CA-SG 3.39Å; C261-C279 HydrophobicContact CB-CB 4.02Å; C261-C279 WeakPolarHBondContact CB-SG 3.23Å; C261-C279 PolarHBondContact O-SG 2.67Å; C261-C279 WeakPolarHBondContact SG-CA 3.48Å; C261-C279 WeakPolarHBondContact SG-CB 3.33Å; C261-C279 CovalentContact SG-SG 2.05Å; C261-C279 PolarHBondContact SG-SG 2.78Å; T267-C279 VanDerWaalsContact O-CB 3.29Å; T267-C279 WeakPolarHBondContact O-CB 3.42Å; S277-C279 PolarHBondContact O-N 3.04Å; C279-E281 VanDerWaalsContact C-N 3.35Å; C279-F282 WeakPolarHBondContact O-CB 3.48Å; C279-F282 PolarHBondContact O-N 3.24Å; C279-R283 WeakPolarHBondContact O-CG 3.35Å; C279-R283 PolarHBondContact O-N 2.92Å
280	S	88	Confident	77.3	Confident	12 Å²	12	44.9 Å²	44.9	8%	0.084	29%	0.291	C	S	.	.	H	α-helix	trans	-64.2	-40.7	176.5	74.8	0	0	0	0	111.7	A276 S277 R283 R284	A276-S280 VanDerWaalsContact C-OG 3.23Å; A276-S280 WeakPolarHBondContact CA-OG 3.33Å; A276-S280 WeakPolarHBondContact CB-OG 3.28Å; S277-S280 PolarHBondContact N-OG 3.35Å; S277-S280 PolarHBondContact O-N 2.64Å; S277-S280 PolarHBondContact O-OG 2.63Å; S277-S280 PolarHBondContact OG-N 3.21Å; S277-S280 VanDerWaalsContact OG-N 3.08Å; S280-R283 PolarHBondContact O-N 3.47Å; S280-R284 WeakPolarHBondContact O-CB 3.34Å; S280-R284 PolarHBondContact O-N 3.22Å
281	E	88.3	Confident	78.2	Confident	18 Å²	18	42.9 Å²	42.9	8%	0.084	29%	0.287	C	S	.	.	H	α-helix	trans	-67.9	-39.2	175.2	-75.9	-58.6	128.5	0	0	112	P207 F213 T241 A276 S277 C279 R283 R284 L285	P207-E281 HydrophobicContact CB-CG 4.28Å; F213-E281 HydrophobicContact CE2-CG 3.75Å; F213-E281 HydrophobicContact CZ-CB 4.33Å; F213-E281 HydrophobicContact CZ-CG 3.64Å; T241-E281 HydrophobicContact CG2-CB 3.82Å; T241-E281 HydrophobicContact CG2-CG 3.99Å; A276-E281 HydrophobicContact CB-CG 3.9Å; A276-E281 VanDerWaalsContact CB-OE1 3.3Å; A276-E281 WeakPolarHBondContact CB-OE1 3.42Å; S277-E281 PolarHBondContact O-N 3.38Å; C279-E281 VanDerWaalsContact C-N 3.35Å; E281-R283 PolarHBondContact O-N 2.83Å; E281-R284 PolarHBondContact O-N 3.43Å; E281-R284 IonicContact OE1-NE 3.44Å; E281-R284 PolarHBondContact OE1-NE 2.96Å; E281-R284 IonicContact OE2-CZ 3.56Å; E281-R284 IonicContact OE2-NE 2.76Å; E281-R284 PolarHBondContact OE2-NE 2.89Å; E281-R284 IonicContact OE2-NH2 3.5Å; E281-R284 PolarHBondContact OE2-NH2 3.21Å; E281-L285 WeakPolarHBondContact O-CB 3.42Å; E281-L285 WeakPolarHBondContact O-CG 3.5Å; E281-L285 PolarHBondContact O-N 3.24Å
282	F	91.4	Very high	79.3	Confident	3 Å²	3	44.5 Å²	44.5	1%	0.013	29%	0.292	C	S	.	.	H	α-helix	trans	-55.7	-51.1	171.1	-174.6	-87.9	0	0	0	110.6	L257 A258 T278 C279 R284 L285 T286 M303 P304 L306 Y307	L257-F282 HydrophobicContact CD2-CB 4.24Å; L257-F282 HydrophobicContact CD2-CD2 4.2Å; L257-F282 HydrophobicContact CG-CB 4.27Å; L257-F282 HydrophobicContact CG-CD2 4.11Å; A258-F282 HydrophobicContact CB-CD2 4.24Å; A258-F282 HydrophobicContact CB-CE2 3.64Å; A258-F282 HydrophobicContact CB-CZ 4.34Å; T278-F282 WeakPolarHBondContact O-CB 3.41Å; T278-F282 PolarHBondContact O-N 3.09Å; C279-F282 WeakPolarHBondContact O-CB 3.48Å; C279-F282 PolarHBondContact O-N 3.24Å; F282-R284 PolarHBondContact O-N 3.39Å; F282-L285 PolarHBondContact O-N 3.48Å; F282-T286 PolarHBondContact O-N 3.41Å; F282-T286 PolarHBondContact O-OG1 2.87Å; F282-M303 HydrophobicContact CB-CE 4.31Å; F282-M303 HydrophobicContact CD1-CE 3.83Å; F282-M303 HydrophobicContact CD2-CE 3.26Å; F282-M303 HydrophobicContact CE1-CE 3.87Å; F282-M303 HydrophobicContact CE2-CE 3.29Å; F282-M303 HydrophobicContact CE2-CG 4.21Å; F282-M303 HydrophobicContact CG-CE 3.54Å; F282-M303 HydrophobicContact CZ-CE 3.62Å; F282-M303 HydrophobicContact CZ-CG 4.22Å; F282-M303 WeakPolarHBondContact O-CE 3.2Å; F282-P304 HydrophobicContact CE2-CB 4.49Å; F282-P304 HydrophobicContact CZ-CB 4.42Å; F282-P304 VanDerWaalsContact CZ-O 3.27Å; F282-P304 WeakPolarHBondContact CZ-O 3.38Å; F282-L306 HydrophobicContact CD1-CD1 4.05Å; F282-L306 HydrophobicContact CD2-CD1 4.26Å; F282-L306 HydrophobicContact CE1-CB 3.87Å; F282-L306 HydrophobicContact CE1-CD1 3.75Å; F282-L306 HydrophobicContact CE1-CG 3.82Å; F282-L306 HydrophobicContact CE2-CD1 3.98Å; F282-L306 HydrophobicContact CE2-CG 4.28Å; F282-L306 HydrophobicContact CG-CD1 4.29Å; F282-L306 HydrophobicContact CZ-CB 4.14Å; F282-L306 HydrophobicContact CZ-CD1 3.69Å; F282-L306 HydrophobicContact CZ-CG 3.62Å; F282-Y307 HydrophobicContact CD1-CE2 4.25Å
283	R	89.4	Confident	80.7	Confident	55 Å²	55	41.4 Å²	41.4	21%	0.208	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-40.1	177.4	-66.9	-174.5	-49.7	-162.3	2.8	112.8	L268 E270 C279 S280 E281 L285 T286 S287 Y307	L268-R283 VanDerWaalsContact CB-NH1 3.27Å; L268-R283 PolarHBondContact O-NH1 3.16Å; E270-R283 IonicContact OE1-NH2 2.77Å; E270-R283 PolarHBondContact OE1-NH2 2.9Å; C279-R283 WeakPolarHBondContact O-CG 3.35Å; C279-R283 PolarHBondContact O-N 2.92Å; S280-R283 PolarHBondContact O-N 3.47Å; E281-R283 PolarHBondContact O-N 2.83Å; R283-L285 VanDerWaalsContact C-N 3.32Å; R283-L285 PolarHBondContact O-N 2.91Å; R283-T286 WeakPolarHBondContact O-CB 3.39Å; R283-T286 PolarHBondContact O-N 2.7Å; R283-S287 PolarHBondContact O-N 2.86Å; R283-Y307 HydrophobicContact CG-CE2 4.38Å
284	R	88	Confident	82.4	Confident	55 Å²	55	42 Å²	42	21%	0.208	26%	0.263	C	S	.	.	H	α-helix	trans	-60.7	-42.5	176.6	-172.3	-169.3	63.1	69.6	-2.5	111.2	S280 E281 F282 S287 Q288	S280-R284 WeakPolarHBondContact O-CB 3.34Å; S280-R284 PolarHBondContact O-N 3.22Å; E281-R284 PolarHBondContact O-N 3.43Å; E281-R284 IonicContact OE1-NE 3.44Å; E281-R284 PolarHBondContact OE1-NE 2.96Å; E281-R284 IonicContact OE2-CZ 3.56Å; E281-R284 IonicContact OE2-NE 2.76Å; E281-R284 PolarHBondContact OE2-NE 2.89Å; E281-R284 IonicContact OE2-NH2 3.5Å; E281-R284 PolarHBondContact OE2-NH2 3.21Å; F282-R284 PolarHBondContact O-N 3.39Å; R284-S287 PolarHBondContact O-N 2.8Å; R284-S287 PolarHBondContact O-OG 2.8Å; R284-Q288 WeakPolarHBondContact O-CG 3.31Å; R284-Q288 PolarHBondContact O-N 3.35Å
285	L	88.6	Confident	83.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-72.1	-30.8	176.2	-70.2	-178.3	0	0	0	112.5	T241 C244 L257 E281 F282 R283 M303	T241-L285 HydrophobicContact CG2-CD1 4.3Å; C244-L285 HydrophobicContact CB-CD1 3.91Å; L257-L285 HydrophobicContact CD2-CD1 3.8Å; E281-L285 WeakPolarHBondContact O-CB 3.42Å; E281-L285 WeakPolarHBondContact O-CG 3.5Å; E281-L285 PolarHBondContact O-N 3.24Å; F282-L285 PolarHBondContact O-N 3.48Å; R283-L285 VanDerWaalsContact C-N 3.32Å; R283-L285 PolarHBondContact O-N 2.91Å; L285-M303 HydrophobicContact CB-CE 3.91Å; L285-M303 HydrophobicContact CB-SD 4.21Å
286	T	89.7	Confident	85.3	Confident	16 Å²	16	38.7 Å²	38.7	10%	0.098	22%	0.219	C	C	.	.	H	α-helix	trans	-63.5	-45.9	171.2	-55.7	0	0	0	0	111	F282 R283 Q288 R289 S298 V300 M303	F282-T286 PolarHBondContact O-N 3.41Å; F282-T286 PolarHBondContact O-OG1 2.87Å; R283-T286 WeakPolarHBondContact O-CB 3.39Å; R283-T286 PolarHBondContact O-N 2.7Å; T286-Q288 PolarHBondContact O-N 2.75Å; T286-R289 PolarHBondContact O-N 3.45Å; T286-R289 VanDerWaalsContact O-N 3.09Å; T286-S298 WeakPolarHBondContact CG2-O 3.03Å; T286-V300 HydrophobicContact CG2-CB 4.39Å; T286-V300 HydrophobicContact CG2-CG1 3.66Å; T286-V300 HydrophobicContact CG2-CG2 3.81Å; T286-M303 VanDerWaalsContact CA-SD 3.53Å; T286-M303 PolarHBondContact N-SD 3.37Å; T286-M303 VanDerWaalsContact N-SD 3.43Å; T286-M303 VanDerWaalsContact OG1-CE 3.3Å; T286-M303 WeakPolarHBondContact OG1-CE 3.41Å; T286-M303 PolarHBondContact OG1-SD 3.48Å
287	S	87.2	Confident	85.8	Confident	96 Å²	96	40.5 Å²	40.5	67%	0.671	23%	0.228	S	C	*	.	H	α-helix	trans	-68.7	-18.4	-177.8	68.9	0	0	0	0	114.3	R283 R284 R289	R283-S287 PolarHBondContact O-N 2.86Å; R284-S287 PolarHBondContact O-N 2.8Å; R284-S287 PolarHBondContact O-OG 2.8Å; S287-R289 VanDerWaalsContact C-N 3.31Å
288	Q	86.9	Confident	85.8	Confident	89 Å²	89	40.7 Å²	40.7	42%	0.416	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-6.6	174.4	-70.6	177.3	-12	0	0	113.6	T246 R284 T286	T246-Q288 HydrophobicContact CG2-CB 4.2Å; R284-Q288 WeakPolarHBondContact O-CG 3.31Å; R284-Q288 PolarHBondContact O-N 3.35Å; T286-Q288 PolarHBondContact O-N 2.75Å
289	R	87.6	Confident	85.8	Confident	26 Å²	26	41.2 Å²	41.2	10%	0.098	23%	0.231	C	C	.	.	S	Bend	trans	-112.1	160.8	-175.9	-72.6	172.3	163.4	117.9	1.7	111.4	C244 N249 T286 S287 V300 K301 M303	C244-R289 PolarHBondContact O-NH1 2.92Å; C244-R289 PolarHBondContact O-NH2 3.44Å; N249-R289 PolarHBondContact OD1-NH2 3.37Å; T286-R289 PolarHBondContact O-N 3.45Å; T286-R289 VanDerWaalsContact O-N 3.09Å; S287-R289 VanDerWaalsContact C-N 3.31Å; R289-V300 HydrophobicContact CB-CB 3.76Å; R289-V300 HydrophobicContact CB-CG1 4.4Å; R289-V300 HydrophobicContact CB-CG2 3.7Å; R289-V300 HydrophobicContact CG-CG2 4.45Å; R289-K301 VanDerWaalsContact CD-O 3.3Å; R289-K301 WeakPolarHBondContact CD-O 3.38Å; R289-M303 PolarHBondContact NH1-SD 3.48Å
290	T	87.2	Confident	85.7	Confident	95 Å²	95	41.3 Å²	41.3	58%	0.583	23%	0.232	S	C	*	.			trans	-81.6	131.5	179.5	50	0	0	0	0	111.4	V300 K301	T290-V300 VanDerWaalsContact O-CA 3.31Å; T290-V300 WeakPolarHBondContact O-CA 3.41Å; T290-V300 WeakPolarHBondContact O-CB 3.47Å; T290-K301 PolarHBondContact O-N 2.88Å
291	P	86.2	Confident	85.6	Confident	68 Å²	68	45.6 Å²	45.6	44%	0.442	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-58.6	139.8	170	-25	35.1	0	0	0	112.1	W299	P291-W299 WeakPolarHBondContact CA-O 3.48Å
292	I	82	Confident	85.3	Confident	75 Å²	75	45.3 Å²	45.3	39%	0.385	25%	0.248	S	C	.	.	S	Bend	trans	-80.3	-33.3	172.9	-64.3	167.3	0	0	0	110.2	N44 W299 V300 K301	N44-I292 HydrophobicContact CB-CD1 4.47Å; N44-I292 WeakPolarHBondContact ND2-CD1 3.48Å; I292-W299 HydrophobicContact CB-CD2 4.37Å; I292-W299 HydrophobicContact CB-CE3 4.39Å; I292-W299 HydrophobicContact CD1-CD2 4.22Å; I292-W299 HydrophobicContact CD1-CG 4.34Å; I292-W299 HydrophobicContact CD1-CZ2 4.25Å; I292-W299 HydrophobicContact CG2-CE3 4.38Å; I292-W299 HydrophobicContact CG2-CH2 4.28Å; I292-W299 HydrophobicContact CG2-CZ3 4.16Å; I292-W299 PolarHBondContact N-O 3.08Å; I292-V300 WeakPolarHBondContact CD1-O 3.28Å; I292-K301 HydrophobicContact CG1-CB 4.34Å
293	N	78.2	Confident	85.2	Confident	21 Å²	21	45.1 Å²	45.1	11%	0.112	25%	0.248	C	C	.	.			trans	-128.8	140.2	-176.9	-172	-35.4	0	0	0	109.8	L16 D295 Y296 W299	L16-N293 PolarHBondContact O-ND2 2.04Å; N293-D295 VanDerWaalsContact C-N 3.31Å; N293-D295 PolarHBondContact OD1-N 2.76Å; N293-Y296 CarbonylContact O-C 3.39Å; N293-W299 HydrophobicContact CB-CE3 4.24Å
294	S	77.8	Confident	85.4	Confident	92 Å²	92	42.6 Å²	42.6	64%	0.643	24%	0.238	S	C	*	.	S	Bend	trans	-64.9	-33	175.6	53.5	0	0	0	0	113.5	T297	S294-T297 WeakPolarHBondContact O-CG2 3.11Å
295	D	72.9	Confident	85.6	Confident	50 Å²	50	40.2 Å²	40.2	27%	0.267	23%	0.229	S	C	.	.	S	Bend	trans	-86.8	-26.5	-173.7	-62	-12.4	0	0	0	111.8	L16 N293 T311	L16-D295 WeakPolarHBondContact CA-OD2 3.31Å; L16-D295 WeakPolarHBondContact CB-OD2 3.4Å; L16-D295 PolarHBondContact N-OD2 3.03Å; N293-D295 VanDerWaalsContact C-N 3.31Å; N293-D295 PolarHBondContact OD1-N 2.76Å; D295-T311 PolarHBondContact O-OG1 3.19Å
296	Y	83	Confident	85.8	Confident	8 Å²	8	40.3 Å²	40.3	3%	0.031	23%	0.229	C	C	.	.			trans	-117.9	74.7	175.5	-61.5	-59.1	0	0	0	110.3	S17 N293 S298 W299 W305 Y308 T311 V316	S17-Y296 WeakPolarHBondContact CB-OH 3.42Å; S17-Y296 WeakPolarHBondContact OG-CE2 3.19Å; S17-Y296 PolarHBondContact OG-OH 2.89Å; N293-Y296 CarbonylContact O-C 3.39Å; Y296-S298 PolarHBondContact O-N 2.78Å; Y296-S298 VanDerWaalsContact O-N 3.14Å; Y296-W299 WeakPolarHBondContact O-CB 3.35Å; Y296-W299 PolarHBondContact O-N 3.36Å; Y296-W305 HydrophobicContact CD1-CH2 4.1Å; Y296-W305 AromaticContact CD1-CZ2 3.8Å; Y296-W305 HydrophobicContact CD1-CZ2 3.8Å; Y296-W305 HydrophobicContact CD2-CH2 4.02Å; Y296-W305 HydrophobicContact CD2-CZ2 4.4Å; Y296-W305 HydrophobicContact CE1-CH2 4.39Å; Y296-W305 HydrophobicContact CE1-CZ2 4.36Å; Y296-W305 HydrophobicContact CE2-CH2 4.26Å; Y296-W305 AromaticContact CG-CH2 3.9Å; Y296-W305 HydrophobicContact CG-CH2 3.9Å; Y296-W305 AromaticContact CG-CZ2 3.81Å; Y296-W305 HydrophobicContact CG-CZ2 3.81Å; Y296-Y308 HydrophobicContact CD1-CD1 4.22Å; Y296-Y308 AromaticContact CE1-CD1 3.82Å; Y296-Y308 HydrophobicContact CE1-CD1 3.82Å; Y296-Y308 HydrophobicContact CE1-CE1 4.25Å; Y296-T311 HydrophobicContact CD1-CG2 4.28Å; Y296-T311 HydrophobicContact CE1-CG2 4.04Å; Y296-V316 HydrophobicContact CE1-CG2 4.23Å
297	T	83.5	Confident	86	Confident	60 Å²	60	40.2 Å²	40.2	37%	0.368	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.7	-173.9	62.7	0	0	0	0	113.8	S294 W299 P310	S294-T297 WeakPolarHBondContact O-CG2 3.11Å; T297-W299 VanDerWaalsContact C-N 3.27Å; T297-P310 WeakPolarHBondContact OG1-CD 3.44Å; T297-P310 WeakPolarHBondContact OG1-CG 3.27Å
298	S	85.6	Confident	86.2	Confident	16 Å²	16	35.8 Å²	35.8	11%	0.112	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-13	174.3	52.7	0	0	0	0	113.6	T286 Y296 V300 W305 Y307 S309	T286-S298 WeakPolarHBondContact CG2-O 3.03Å; Y296-S298 PolarHBondContact O-N 2.78Å; Y296-S298 VanDerWaalsContact O-N 3.14Å; S298-V300 PolarHBondContact O-N 3Å; S298-W305 PolarHBondContact OG-NE1 3.4Å; S298-W305 VanDerWaalsContact OG-NE1 3.09Å; S298-Y307 WeakPolarHBondContact CB-O 3.47Å; S298-Y307 PolarHBondContact OG-O 3.36Å; S298-S309 WeakPolarHBondContact CB-O 3.3Å; S298-S309 PolarHBondContact OG-O 3.12Å
299	W	88.4	Confident	86.3	Confident	10 Å²	10	33.6 Å²	33.6	4%	0.038	19%	0.191	C	C	.	.			trans	-88.5	99.2	172.7	-171.2	21.6	0	0	0	110	H18 I20 P291 I292 N293 Y296 T297 W305	H18-W299 HydrophobicContact CB-CE3 4.44Å; H18-W299 HydrophobicContact CB-CH2 4.34Å; H18-W299 HydrophobicContact CB-CZ3 3.59Å; H18-W299 AromaticContact CD2-CH2 3.11Å; H18-W299 WeakPolarHBondContact CD2-CH2 3.28Å; H18-W299 AromaticContact CD2-CZ3 3.28Å; H18-W299 WeakPolarHBondContact CD2-CZ3 3.15Å; H18-W299 AromaticContact CG-CH2 3.71Å; H18-W299 AromaticContact CG-CZ3 3.36Å; H18-W299 AromaticContact ND1-CZ3 3.98Å; H18-W299 AromaticContact NE2-CH2 3.35Å; H18-W299 WeakPolarHBondContact NE2-CH2 3.24Å; H18-W299 AromaticContact NE2-CZ3 3.86Å; I20-W299 HydrophobicContact CD1-CZ2 4.45Å; I20-W299 HydrophobicContact CG1-CH2 4.36Å; P291-W299 WeakPolarHBondContact CA-O 3.48Å; I292-W299 HydrophobicContact CB-CD2 4.37Å; I292-W299 HydrophobicContact CB-CE3 4.39Å; I292-W299 HydrophobicContact CD1-CD2 4.22Å; I292-W299 HydrophobicContact CD1-CG 4.34Å; I292-W299 HydrophobicContact CD1-CZ2 4.25Å; I292-W299 HydrophobicContact CG2-CE3 4.38Å; I292-W299 HydrophobicContact CG2-CH2 4.28Å; I292-W299 HydrophobicContact CG2-CZ3 4.16Å; I292-W299 PolarHBondContact N-O 3.08Å; N293-W299 HydrophobicContact CB-CE3 4.24Å; Y296-W299 WeakPolarHBondContact O-CB 3.35Å; Y296-W299 PolarHBondContact O-N 3.36Å; T297-W299 VanDerWaalsContact C-N 3.27Å; W299-W305 HydrophobicContact CB-CB 4.3Å; W299-W305 HydrophobicContact CB-CD2 3.76Å; W299-W305 HydrophobicContact CB-CE3 4.2Å; W299-W305 HydrophobicContact CB-CG 3.78Å; W299-W305 VanDerWaalsContact CD1-CB 3.5Å; W299-W305 AromaticContact CD1-CG 3.9Å; W299-W305 HydrophobicContact CD2-CD2 4.49Å; W299-W305 HydrophobicContact CD2-CE3 4.07Å; W299-W305 HydrophobicContact CG-CB 4.02Å; W299-W305 AromaticContact CG-CD2 3.88Å; W299-W305 HydrophobicContact CG-CD2 3.88Å; W299-W305 AromaticContact CG-CE3 3.93Å; W299-W305 HydrophobicContact CG-CE3 3.93Å; W299-W305 AromaticContact CG-CG 3.91Å; W299-W305 HydrophobicContact CG-CG 3.91Å
300	V	89.6	Confident	86.3	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.012	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-112.1	160.6	-173.3	-55.7	0	0	0	0	112.2	N44 T286 R289 T290 I292 S298 M303	N44-V300 PolarHBondContact ND2-O 3.09Å; N44-V300 VanDerWaalsContact ND2-O 3.17Å; T286-V300 HydrophobicContact CG2-CB 4.39Å; T286-V300 HydrophobicContact CG2-CG1 3.66Å; T286-V300 HydrophobicContact CG2-CG2 3.81Å; R289-V300 HydrophobicContact CB-CB 3.76Å; R289-V300 HydrophobicContact CB-CG1 4.4Å; R289-V300 HydrophobicContact CB-CG2 3.7Å; R289-V300 HydrophobicContact CG-CG2 4.45Å; T290-V300 VanDerWaalsContact O-CA 3.31Å; T290-V300 WeakPolarHBondContact O-CA 3.41Å; T290-V300 WeakPolarHBondContact O-CB 3.47Å; I292-V300 WeakPolarHBondContact CD1-O 3.28Å; S298-V300 PolarHBondContact O-N 3Å; V300-M303 HydrophobicContact CG2-CB 3.58Å; V300-M303 HydrophobicContact CG2-CG 4.32Å; V300-M303 HydrophobicContact CG2-SD 4.12Å
301	K	85.4	Confident	86.4	Confident	103 Å²	103	33.6 Å²	33.6	45%	0.448	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	136.5	-179.3	-166.6	-171.2	171.6	-179	0	111.8	R289 T290 I292 M303	R289-K301 VanDerWaalsContact CD-O 3.3Å; R289-K301 WeakPolarHBondContact CD-O 3.38Å; T290-K301 PolarHBondContact O-N 2.88Å; I292-K301 HydrophobicContact CG1-CB 4.34Å; K301-M303 PolarHBondContact O-N 3.2Å
302	D	83.9	Confident	86.7	Confident	11 Å²	11	36 Å²	36	6%	0.059	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	22.5	174.7	-62.6	-53.8	0	0	0	114.7	N41 N44 K48	N41-D302 PolarHBondContact ND2-OD1 2.97Å; N44-D302 WeakPolarHBondContact OD1-CA 3.47Å; N44-D302 PolarHBondContact OD1-N 3.21Å; K48-D302 VanDerWaalsContact NZ-CG 3.28Å; K48-D302 IonicContact NZ-OD1 3.61Å; K48-D302 PolarHBondContact NZ-OD1 3.5Å; K48-D302 IonicContact NZ-OD2 2.78Å; K48-D302 PolarHBondContact NZ-OD2 3.15Å
303	M	88.6	Confident	87.1	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-135.5	143.3	175.2	-164.6	164.8	-176.9	0	0	110.6	F282 L285 T286 R289 V300 K301	F282-M303 HydrophobicContact CB-CE 4.31Å; F282-M303 HydrophobicContact CD1-CE 3.83Å; F282-M303 HydrophobicContact CD2-CE 3.26Å; F282-M303 HydrophobicContact CE1-CE 3.87Å; F282-M303 HydrophobicContact CE2-CE 3.29Å; F282-M303 HydrophobicContact CE2-CG 4.21Å; F282-M303 HydrophobicContact CG-CE 3.54Å; F282-M303 HydrophobicContact CZ-CE 3.62Å; F282-M303 HydrophobicContact CZ-CG 4.22Å; F282-M303 WeakPolarHBondContact O-CE 3.2Å; L285-M303 HydrophobicContact CB-CE 3.91Å; L285-M303 HydrophobicContact CB-SD 4.21Å; T286-M303 VanDerWaalsContact CA-SD 3.53Å; T286-M303 PolarHBondContact N-SD 3.37Å; T286-M303 VanDerWaalsContact N-SD 3.43Å; T286-M303 VanDerWaalsContact OG1-CE 3.3Å; T286-M303 WeakPolarHBondContact OG1-CE 3.41Å; T286-M303 PolarHBondContact OG1-SD 3.48Å; R289-M303 PolarHBondContact NH1-SD 3.48Å; V300-M303 HydrophobicContact CG2-CB 3.58Å; V300-M303 HydrophobicContact CG2-CG 4.32Å; V300-M303 HydrophobicContact CG2-SD 4.12Å; K301-M303 PolarHBondContact O-N 3.2Å
304	P	92.5	Very high	87.8	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.006	18%	0.181	C	C	.	.			trans	-59.2	155.6	171.1	-21.4	33.6	0	0	0	110.7	A43 C254 Q255 A258 F282	A43-P304 HydrophobicContact CB-CG 4.28Å; C254-P304 HydrophobicContact CB-CG 4.35Å; Q255-P304 VanDerWaalsContact CD-CG 3.4Å; Q255-P304 HydrophobicContact CG-CG 4Å; Q255-P304 VanDerWaalsContact OE1-CG 3.31Å; A258-P304 HydrophobicContact CB-CB 4.02Å; A258-P304 HydrophobicContact CB-CG 4.06Å; F282-P304 HydrophobicContact CE2-CB 4.49Å; F282-P304 HydrophobicContact CZ-CB 4.42Å; F282-P304 VanDerWaalsContact CZ-O 3.27Å; F282-P304 WeakPolarHBondContact CZ-O 3.38Å
305	W	92.1	Very high	88.4	Confident	6 Å²	6	30.6 Å²	30.6	2%	0.023	17%	0.167	C	C	.	.			trans	-110.6	112.2	178.4	176.1	36.7	0	0	0	110.3	Y296 S298 W299 Y307 Y308 P417 R471	Y296-W305 HydrophobicContact CD1-CH2 4.1Å; Y296-W305 AromaticContact CD1-CZ2 3.8Å; Y296-W305 HydrophobicContact CD1-CZ2 3.8Å; Y296-W305 HydrophobicContact CD2-CH2 4.02Å; Y296-W305 HydrophobicContact CD2-CZ2 4.4Å; Y296-W305 HydrophobicContact CE1-CH2 4.39Å; Y296-W305 HydrophobicContact CE1-CZ2 4.36Å; Y296-W305 HydrophobicContact CE2-CH2 4.26Å; Y296-W305 AromaticContact CG-CH2 3.9Å; Y296-W305 HydrophobicContact CG-CH2 3.9Å; Y296-W305 AromaticContact CG-CZ2 3.81Å; Y296-W305 HydrophobicContact CG-CZ2 3.81Å; S298-W305 PolarHBondContact OG-NE1 3.4Å; S298-W305 VanDerWaalsContact OG-NE1 3.09Å; W299-W305 HydrophobicContact CB-CB 4.3Å; W299-W305 HydrophobicContact CB-CD2 3.76Å; W299-W305 HydrophobicContact CB-CE3 4.2Å; W299-W305 HydrophobicContact CB-CG 3.78Å; W299-W305 VanDerWaalsContact CD1-CB 3.5Å; W299-W305 AromaticContact CD1-CG 3.9Å; W299-W305 HydrophobicContact CD2-CD2 4.49Å; W299-W305 HydrophobicContact CD2-CE3 4.07Å; W299-W305 HydrophobicContact CG-CB 4.02Å; W299-W305 AromaticContact CG-CD2 3.88Å; W299-W305 HydrophobicContact CG-CD2 3.88Å; W299-W305 AromaticContact CG-CE3 3.93Å; W299-W305 HydrophobicContact CG-CE3 3.93Å; W299-W305 AromaticContact CG-CG 3.91Å; W299-W305 HydrophobicContact CG-CG 3.91Å; W305-Y307 PolarHBondContact NE1-O 2.67Å; W305-Y308 AromaticContact CH2-CD1 3.94Å; W305-Y308 HydrophobicContact CH2-CD1 3.94Å; W305-Y308 AromaticContact CH2-CE1 3.5Å; W305-Y308 HydrophobicContact CH2-CE1 3.5Å; W305-Y308 AromaticContact CZ2-CD1 3.56Å; W305-Y308 HydrophobicContact CZ2-CD1 3.56Å; W305-Y308 AromaticContact CZ2-CE1 3.61Å; W305-Y308 HydrophobicContact CZ2-CE1 3.61Å; W305-Y308 HydrophobicContact CZ2-CG 4.19Å; W305-P417 HydrophobicContact CH2-CG 4.23Å; W305-P417 HydrophobicContact CZ3-CB 4.37Å; W305-P417 HydrophobicContact CZ3-CG 3.89Å; W305-R471 WeakPolarHBondContact O-CB 3.11Å; W305-R471 WeakPolarHBondContact O-CD 3.31Å; W305-R471 PolarHBondContact O-NH1 3.05Å
306	L	94	Very high	89.3	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.155	C	C	.	.			trans	-105.5	-28.2	-175.2	-73.6	-173.5	0	0	0	115.1	A258 C261 F282 T470 R471 R472	A258-L306 HydrophobicContact CB-CD1 3.89Å; A258-L306 HydrophobicContact CB-CD2 4.22Å; A258-L306 HydrophobicContact CB-CG 4.16Å; C261-L306 HydrophobicContact CB-CD1 4.1Å; F282-L306 HydrophobicContact CD1-CD1 4.05Å; F282-L306 HydrophobicContact CD2-CD1 4.26Å; F282-L306 HydrophobicContact CE1-CB 3.87Å; F282-L306 HydrophobicContact CE1-CD1 3.75Å; F282-L306 HydrophobicContact CE1-CG 3.82Å; F282-L306 HydrophobicContact CE2-CD1 3.98Å; F282-L306 HydrophobicContact CE2-CG 4.28Å; F282-L306 HydrophobicContact CG-CD1 4.29Å; F282-L306 HydrophobicContact CZ-CB 4.14Å; F282-L306 HydrophobicContact CZ-CD1 3.69Å; F282-L306 HydrophobicContact CZ-CG 3.62Å; L306-T470 CarbonylContact O-C 3.57Å; L306-T470 WeakPolarHBondContact O-CA 3.44Å; L306-R471 PolarHBondContact O-N 3.44Å; L306-R472 HydrophobicContact CD2-CB 3.56Å; L306-R472 HydrophobicContact CD2-CG 4.48Å
307	Y	93.4	Very high	89.8	Confident	14 Å²	14	28.9 Å²	28.9	6%	0.055	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-127.2	134.2	-167.9	-63	-82.1	0	0	0	111.2	C261 N266 L268 F282 R283 S298 W305 S309 T470	C261-Y307 PolarHBondContact SG-OH 3.08Å; N266-Y307 VanDerWaalsContact C-OH 3.29Å; N266-Y307 WeakPolarHBondContact CA-OH 3.3Å; N266-Y307 HydrophobicContact CB-CE1 3.76Å; N266-Y307 WeakPolarHBondContact O-CE1 3.34Å; N266-Y307 PolarHBondContact O-OH 3.25Å; L268-Y307 HydrophobicContact CD2-CD1 4.28Å; L268-Y307 HydrophobicContact CD2-CE1 3.68Å; F282-Y307 HydrophobicContact CD1-CE2 4.25Å; R283-Y307 HydrophobicContact CG-CE2 4.38Å; S298-Y307 WeakPolarHBondContact CB-O 3.47Å; S298-Y307 PolarHBondContact OG-O 3.36Å; W305-Y307 PolarHBondContact NE1-O 2.67Å; Y307-S309 VanDerWaalsContact C-N 3.35Å; Y307-T470 HydrophobicContact CD1-CG2 4.28Å; Y307-T470 HydrophobicContact CE1-CG2 4.38Å
308	Y	92.7	Very high	90	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.012	16%	0.156	C	C	.	.			trans	-76.4	-25.1	171.2	-74.6	-92.1	0	0	0	113	Y296 W305 T311 V316 P417 P419 L469 R471	Y296-Y308 HydrophobicContact CD1-CD1 4.22Å; Y296-Y308 AromaticContact CE1-CD1 3.82Å; Y296-Y308 HydrophobicContact CE1-CD1 3.82Å; Y296-Y308 HydrophobicContact CE1-CE1 4.25Å; W305-Y308 AromaticContact CH2-CD1 3.94Å; W305-Y308 HydrophobicContact CH2-CD1 3.94Å; W305-Y308 AromaticContact CH2-CE1 3.5Å; W305-Y308 HydrophobicContact CH2-CE1 3.5Å; W305-Y308 AromaticContact CZ2-CD1 3.56Å; W305-Y308 HydrophobicContact CZ2-CD1 3.56Å; W305-Y308 AromaticContact CZ2-CE1 3.61Å; W305-Y308 HydrophobicContact CZ2-CE1 3.61Å; W305-Y308 HydrophobicContact CZ2-CG 4.19Å; Y308-T311 WeakPolarHBondContact O-CB 3.28Å; Y308-T311 PolarHBondContact O-N 3.2Å; Y308-T311 PolarHBondContact O-OG1 3.23Å; Y308-V316 HydrophobicContact CD1-CB 4.28Å; Y308-V316 HydrophobicContact CD1-CG1 3.49Å; Y308-V316 VanDerWaalsContact CD1-CG1 3.49Å; Y308-V316 HydrophobicContact CD1-CG2 3.7Å; Y308-V316 HydrophobicContact CE1-CG1 3.52Å; Y308-V316 HydrophobicContact CG-CG1 4.08Å; Y308-V316 HydrophobicContact CG-CG2 4.09Å; Y308-P417 WeakPolarHBondContact OH-CB 3.48Å; Y308-P419 HydrophobicContact CD2-CB 4.42Å; Y308-P419 HydrophobicContact CE1-CG 4.43Å; Y308-P419 HydrophobicContact CE2-CB 3.77Å; Y308-P419 HydrophobicContact CE2-CG 4.17Å; Y308-L469 HydrophobicContact CD2-CB 3.71Å; Y308-L469 HydrophobicContact CE2-CB 4.48Å; Y308-L469 HydrophobicContact CG-CB 4.24Å; Y308-L469 PolarHBondContact N-O 3.49Å; Y308-R471 HydrophobicContact CD2-CG 4.05Å; Y308-R471 HydrophobicContact CE2-CG 3.38Å
309	S	87.8	Confident	90	Very high	44 Å²	44	29.3 Å²	29.3	31%	0.308	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	136.4	174.7	-169.9	0	0	0	0	111.5	S298 Y307 E468	S298-S309 WeakPolarHBondContact CB-O 3.3Å; S298-S309 PolarHBondContact OG-O 3.12Å; Y307-S309 VanDerWaalsContact C-N 3.35Å; S309-E468 WeakPolarHBondContact CB-OE2 3.09Å; S309-E468 PolarHBondContact OG-OE2 3.03Å
310	P	87.7	Confident	89.9	Confident	93 Å²	93	31.5 Å²	31.5	60%	0.604	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	cis	-85.9	6.9	13.4	36.2	-37.1	0	0	0	115	T297 K312	T297-P310 WeakPolarHBondContact OG1-CD 3.44Å; T297-P310 WeakPolarHBondContact OG1-CG 3.27Å; P310-K312 PolarHBondContact O-N 2.86Å
311	T	89.7	Confident	89.4	Confident	27 Å²	27	35 Å²	35	17%	0.166	18%	0.183	C	C	.	.	S	Bend	trans	-65.8	128.5	177.3	-38.1	0	0	0	0	110	D295 Y296 Y308 T315 V316	D295-T311 PolarHBondContact O-OG1 3.19Å; Y296-T311 HydrophobicContact CD1-CG2 4.28Å; Y296-T311 HydrophobicContact CE1-CG2 4.04Å; Y308-T311 WeakPolarHBondContact O-CB 3.28Å; Y308-T311 PolarHBondContact O-N 3.2Å; Y308-T311 PolarHBondContact O-OG1 3.23Å; T311-T315 HydrophobicContact CG2-CG2 4.48Å; T311-V316 HydrophobicContact CG2-CG2 3.88Å
312	K	91.5	Very high	89.4	Confident	119 Å²	119	30.1 Å²	30.1	52%	0.517	16%	0.162	S	C	.	.			trans	-61.8	135.2	178.2	-76.6	178.1	162.2	-139.9	0	112	P310 S314 T315 V316 D465	P310-K312 PolarHBondContact O-N 2.86Å; K312-S314 VanDerWaalsContact C-N 3.28Å; K312-S314 PolarHBondContact O-N 2.98Å; K312-T315 WeakPolarHBondContact O-CB 3.4Å; K312-T315 PolarHBondContact O-N 3.07Å; K312-V316 PolarHBondContact O-N 3.34Å; K312-D465 WeakPolarHBondContact CB-OD1 3.37Å; K312-D465 WeakPolarHBondContact CD-OD2 3.33Å; K312-D465 WeakPolarHBondContact CE-OD2 3.14Å; K312-D465 IonicContact NZ-OD2 2.67Å; K312-D465 PolarHBondContact NZ-OD2 3.41Å
313	G	91.6	Very high	89.4	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-55.8	-39.1	-179.8	0	0	0	0	0	113.5	T315 V316 L317 Q464	G313-T315 VanDerWaalsContact C-N 3.25Å; G313-T315 PolarHBondContact O-N 3.15Å; G313-V316 PolarHBondContact O-N 3.37Å; G313-L317 VanDerWaalsContact O-CG 3.27Å; G313-L317 WeakPolarHBondContact O-CG 3.37Å; G313-L317 PolarHBondContact O-N 3.44Å; G313-Q464 WeakPolarHBondContact CA-O 3.39Å
314	S	92.2	Very high	89.3	Confident	16 Å²	16	36.5 Å²	36.5	11%	0.112	19%	0.192	C	C	.	.	H	α-helix	trans	-63.1	-30.2	177.7	67.5	0	0	0	0	113.8	K312 K318 D465	K312-S314 VanDerWaalsContact C-N 3.28Å; K312-S314 PolarHBondContact O-N 2.98Å; S314-K318 WeakPolarHBondContact O-CB 3.27Å; S314-K318 WeakPolarHBondContact O-CG 3.3Å; S314-K318 PolarHBondContact O-N 3.49Å; S314-D465 WeakPolarHBondContact CB-OD1 3.44Å; S314-D465 PolarHBondContact N-OD1 3.14Å; S314-D465 PolarHBondContact OG-OD1 3.28Å
315	T	91.2	Very high	89.1	Confident	58 Å²	58	41.4 Å²	41.4	36%	0.356	22%	0.218	S	C	.	.	H	α-helix	trans	-75.7	-40.6	176.9	-55.4	0	0	0	0	110.7	P15 T311 K312 G313	P15-T315 HydrophobicContact CB-CG2 4.39Å; T311-T315 HydrophobicContact CG2-CG2 4.48Å; K312-T315 WeakPolarHBondContact O-CB 3.4Å; K312-T315 PolarHBondContact O-N 3.07Å; G313-T315 VanDerWaalsContact C-N 3.25Å; G313-T315 PolarHBondContact O-N 3.15Å
316	V	91.3	Very high	89	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-62.3	-44.5	177.1	-179.5	0	0	0	0	111.1	Y296 Y308 T311 K312 G313 K318 P419 L469	Y296-V316 HydrophobicContact CE1-CG2 4.23Å; Y308-V316 HydrophobicContact CD1-CB 4.28Å; Y308-V316 HydrophobicContact CD1-CG1 3.49Å; Y308-V316 VanDerWaalsContact CD1-CG1 3.49Å; Y308-V316 HydrophobicContact CD1-CG2 3.7Å; Y308-V316 HydrophobicContact CE1-CG1 3.52Å; Y308-V316 HydrophobicContact CG-CG1 4.08Å; Y308-V316 HydrophobicContact CG-CG2 4.09Å; T311-V316 HydrophobicContact CG2-CG2 3.88Å; K312-V316 PolarHBondContact O-N 3.34Å; G313-V316 PolarHBondContact O-N 3.37Å; V316-K318 VanDerWaalsContact C-N 3.35Å; V316-K318 PolarHBondContact O-N 3.18Å; V316-P419 HydrophobicContact CG1-CB 4.22Å; V316-P419 HydrophobicContact CG1-CG 3.56Å; V316-L469 HydrophobicContact CB-CD1 4.15Å; V316-L469 HydrophobicContact CG1-CD1 4.12Å
317	L	92.4	Very high	88.7	Confident	18 Å²	18	43.9 Å²	43.9	9%	0.094	24%	0.235	C	C	.	.	H	α-helix	trans	-78.3	-16.9	-173.9	-63.3	171.8	0	0	0	113.9	G313 P419 Q464 W467 L469 F515 I518	G313-L317 VanDerWaalsContact O-CG 3.27Å; G313-L317 WeakPolarHBondContact O-CG 3.37Å; G313-L317 PolarHBondContact O-N 3.44Å; L317-P419 HydrophobicContact CD2-CB 4.46Å; L317-P419 HydrophobicContact CD2-CG 4.3Å; L317-Q464 HydrophobicContact CD1-CB 4.42Å; L317-Q464 HydrophobicContact CD1-CG 4.03Å; L317-W467 HydrophobicContact CD1-CE3 3.88Å; L317-W467 HydrophobicContact CD1-CZ3 3.58Å; L317-L469 HydrophobicContact CD2-CD1 4.31Å; L317-L469 HydrophobicContact CG-CD1 4.25Å; L317-F515 WeakPolarHBondContact O-CB 3.43Å; L317-I518 HydrophobicContact CD1-CD1 4.26Å; L317-I518 HydrophobicContact CD2-CB 4.03Å; L317-I518 HydrophobicContact CD2-CD1 3.71Å; L317-I518 HydrophobicContact CD2-CG1 4.07Å
318	K	88.9	Confident	88.2	Confident	75 Å²	75	43.5 Å²	43.5	33%	0.326	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	19.5	177.7	-68.1	-174.7	179	-178.5	0	113.4	S314 V316 T320 F515	S314-K318 WeakPolarHBondContact O-CB 3.27Å; S314-K318 WeakPolarHBondContact O-CG 3.3Å; S314-K318 PolarHBondContact O-N 3.49Å; V316-K318 VanDerWaalsContact C-N 3.35Å; V316-K318 PolarHBondContact O-N 3.18Å; K318-T320 PolarHBondContact O-N 2.93Å; K318-F515 HydrophobicContact CB-CE1 4.29Å
319	D	85.6	Confident	87.8	Confident	10 Å²	10	47.3 Å²	47.3	5%	0.053	25%	0.254	C	S	.	.			trans	-63.8	130.4	173.7	-175	-8	0	0	0	110.7	S17 K321 F515 P516	S17-D319 WeakPolarHBondContact CB-OD2 3.32Å; S17-D319 PolarHBondContact OG-OD2 3.07Å; D319-K321 WeakPolarHBondContact OD1-CB 3.15Å; D319-K321 WeakPolarHBondContact OD1-CG 3.5Å; D319-K321 PolarHBondContact OD1-N 3.22Å; D319-F515 WeakPolarHBondContact O-CD1 3.23Å; D319-P516 HydrophobicContact CB-CG 4.05Å; D319-P516 WeakPolarHBondContact O-CD 3.39Å
320	T	85.3	Confident	87.8	Confident	57 Å²	57	46.4 Å²	46.4	35%	0.35	25%	0.248	S	C	.	.			trans	-108.3	9.8	-176.4	63.1	0	0	0	0	113.6	K318 L322 K323 F515	K318-T320 PolarHBondContact O-N 2.93Å; T320-L322 VanDerWaalsContact C-N 3.26Å; T320-L322 PolarHBondContact O-N 3.34Å; T320-K323 WeakPolarHBondContact O-CD 3.44Å; T320-K323 WeakPolarHBondContact O-CE 3.22Å; T320-K323 PolarHBondContact O-NZ 2.5Å; T320-F515 HydrophobicContact CG2-CE1 4Å
321	K	79.2	Confident	87.9	Confident	75 Å²	75	45.4 Å²	45.4	33%	0.326	24%	0.238	S	C	.	.			trans	-66.8	-23.4	-178.1	-78.7	-165.6	171.2	-153.3	0	114.9	S17 D319 K323 I416	S17-K321 WeakPolarHBondContact O-CD 3.06Å; S17-K321 WeakPolarHBondContact O-CE 3.26Å; S17-K321 PolarHBondContact O-NZ 2.66Å; D319-K321 WeakPolarHBondContact OD1-CB 3.15Å; D319-K321 WeakPolarHBondContact OD1-CG 3.5Å; D319-K321 PolarHBondContact OD1-N 3.22Å; K321-K323 PolarHBondContact O-N 3.08Å; K321-I416 HydrophobicContact CB-CD1 4.34Å
322	L	86	Confident	87.9	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.			trans	-69.4	95.7	170.7	-174.6	61.8	0	0	0	109.2	T320 Y326 I403 F405 I416 Q506 I514	T320-L322 VanDerWaalsContact C-N 3.26Å; T320-L322 PolarHBondContact O-N 3.34Å; L322-Y326 HydrophobicContact CD2-CE2 4.21Å; L322-Y326 HydrophobicContact CG-CE2 4.41Å; L322-I403 HydrophobicContact CD2-CD1 3.77Å; L322-F405 HydrophobicContact CD1-CB 3.77Å; L322-F405 HydrophobicContact CD1-CD1 3.91Å; L322-F405 HydrophobicContact CD1-CD2 4.35Å; L322-F405 HydrophobicContact CD1-CG 3.75Å; L322-I416 HydrophobicContact CB-CD1 3.94Å; L322-I416 HydrophobicContact CD1-CD1 4.32Å; L322-Q506 PolarHBondContact O-NE2 3.08Å; L322-I514 HydrophobicContact CD2-CD1 3.89Å; L322-I514 HydrophobicContact CD2-CG1 3.48Å; L322-I514 VanDerWaalsContact CD2-CG1 3.48Å; L322-I514 HydrophobicContact CG-CG1 4.47Å
323	K	83.6	Confident	88	Confident	107 Å²	107	41.4 Å²	41.4	47%	0.465	22%	0.219	S	C	.	.			trans	-93.1	0.6	-178.3	-63.1	-50.9	-174.4	-166.7	0	114.2	T320 K321 I325 Q513	T320-K323 WeakPolarHBondContact O-CD 3.44Å; T320-K323 WeakPolarHBondContact O-CE 3.22Å; T320-K323 PolarHBondContact O-NZ 2.5Å; K321-K323 PolarHBondContact O-N 3.08Å; K323-I325 PolarHBondContact O-N 2.87Å; K323-Q513 PolarHBondContact O-NE2 2.78Å; K323-Q513 VanDerWaalsContact O-NE2 3.15Å
324	T	86.4	Confident	88.1	Confident	38 Å²	38	41.3 Å²	41.3	23%	0.233	22%	0.219	C	C	.	.			trans	-58.4	130	176	-50.1	0	0	0	0	110.7	Y326 F405	T324-Y326 HydrophobicContact CG2-CD1 4.37Å; T324-Y326 HydrophobicContact CG2-CD2 4.15Å; T324-Y326 HydrophobicContact CG2-CE1 3.99Å; T324-Y326 HydrophobicContact CG2-CE2 3.76Å; T324-Y326 HydrophobicContact CG2-CG 4.45Å; T324-Y326 WeakPolarHBondContact O-CD2 2.83Å; T324-F405 WeakPolarHBondContact OG1-CB 3.45Å
325	I	88.3	Confident	88.2	Confident	105 Å²	105	42.7 Å²	42.7	54%	0.538	22%	0.222	S	C	.	.			trans	-91.1	114.3	172.5	-61.8	174.2	0	0	0	106.9	K323 V631	K323-I325 PolarHBondContact O-N 2.87Å; I325-V631 HydrophobicContact CG2-CG1 3.63Å; I325-V631 HydrophobicContact CG2-CG2 4.29Å
326	Y	89.7	Confident	88.4	Confident	8 Å²	8	40 Å²	40	3%	0.031	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-94.2	133.6	179.6	-66.9	-88.6	0	0	0	110.8	L322 T324 S330 L332 F373 G512 I514 Y632	L322-Y326 HydrophobicContact CD2-CE2 4.21Å; L322-Y326 HydrophobicContact CG-CE2 4.41Å; T324-Y326 HydrophobicContact CG2-CD1 4.37Å; T324-Y326 HydrophobicContact CG2-CD2 4.15Å; T324-Y326 HydrophobicContact CG2-CE1 3.99Å; T324-Y326 HydrophobicContact CG2-CE2 3.76Å; T324-Y326 HydrophobicContact CG2-CG 4.45Å; T324-Y326 WeakPolarHBondContact O-CD2 2.83Å; Y326-S330 WeakPolarHBondContact CD1-OG 3.47Å; Y326-L332 HydrophobicContact CE1-CD1 4.39Å; Y326-F373 AromaticContact CD1-CD2 3.71Å; Y326-F373 HydrophobicContact CD1-CD2 3.71Å; Y326-F373 HydrophobicContact CD1-CE2 4.08Å; Y326-F373 HydrophobicContact CD1-CG 4.02Å; Y326-F373 HydrophobicContact CD2-CE2 4.25Å; Y326-F373 HydrophobicContact CE1-CD2 4.41Å; Y326-F373 HydrophobicContact CG-CD1 4.49Å; Y326-F373 AromaticContact CG-CD2 3.87Å; Y326-F373 HydrophobicContact CG-CD2 3.87Å; Y326-F373 HydrophobicContact CG-CE1 4.41Å; Y326-F373 AromaticContact CG-CE2 3.77Å; Y326-F373 HydrophobicContact CG-CE2 3.77Å; Y326-F373 HydrophobicContact CG-CG 4.23Å; Y326-F373 HydrophobicContact CG-CZ 4.06Å; Y326-G512 PolarHBondContact N-O 2.98Å; Y326-I514 HydrophobicContact CD2-CD1 3.99Å; Y326-I514 HydrophobicContact CD2-CG1 4.04Å; Y326-I514 HydrophobicContact CD2-CG2 4.33Å; Y326-I514 HydrophobicContact CE2-CD1 3.57Å; Y326-I514 HydrophobicContact CE2-CG1 3.72Å; Y326-Y632 WeakPolarHBondContact O-CB 3.5Å; Y326-Y632 PolarHBondContact O-N 3.14Å
327	S	87.7	Confident	88.6	Confident	50 Å²	50	39.8 Å²	39.8	35%	0.35	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-103.8	158.7	167.6	63.6	0	0	0	0	110.2	N329 S330 F373 S630	S327-N329 PolarHBondContact O-N 2.66Å; S327-S330 VanDerWaalsContact O-CB 3.28Å; S327-S330 WeakPolarHBondContact O-CB 3.42Å; S327-S330 PolarHBondContact O-N 2.81Å; S327-S330 PolarHBondContact O-OG 3.44Å; S327-F373 WeakPolarHBondContact O-CD1 3.47Å; S327-S630 WeakPolarHBondContact CB-O 3.43Å
328	P	83.9	Confident	88.7	Confident	7 Å²	7	39 Å²	39	5%	0.045	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	134.7	166.2	-30.3	38.4	0	0	0	112.3	S330 Q629 A791 K792	P328-S330 VanDerWaalsContact C-N 3.25Å; P328-S330 PolarHBondContact O-N 3.32Å; P328-Q629 HydrophobicContact CG-CG 4.08Å; P328-A791 HydrophobicContact CB-CB 3.71Å; P328-A791 HydrophobicContact CG-CB 3.74Å; P328-K792 HydrophobicContact CB-CG 4.33Å
329	N	82.9	Confident	89.1	Confident	82 Å²	82	35.4 Å²	35.4	44%	0.439	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	8.2	-176.2	-54.1	0.8	0	0	0	116	S327 F373	S327-N329 PolarHBondContact O-N 2.66Å; N329-F373 PolarHBondContact N-O 2.95Å
330	S	88.8	Confident	89.5	Confident	26 Å²	26	38.8 Å²	38.8	18%	0.182	20%	0.198	C	C	.	.			trans	-62.9	157.6	165.4	56.7	0	0	0	0	110.4	Y326 S327 P328 F373	Y326-S330 WeakPolarHBondContact CD1-OG 3.47Å; S327-S330 VanDerWaalsContact O-CB 3.28Å; S327-S330 WeakPolarHBondContact O-CB 3.42Å; S327-S330 PolarHBondContact O-N 2.81Å; S327-S330 PolarHBondContact O-OG 3.44Å; P328-S330 VanDerWaalsContact C-N 3.25Å; P328-S330 PolarHBondContact O-N 3.32Å; S330-F373 WeakPolarHBondContact O-CB 3.48Å; S330-F373 PolarHBondContact O-N 2.88Å; S330-F373 WeakPolarHBondContact OG-CB 3.34Å; S330-F373 WeakPolarHBondContact OG-CG 3.19Å
331	N	89	Confident	89.9	Confident	71 Å²	71	37.4 Å²	37.4	38%	0.38	19%	0.188	S	C	.	.	B	Isolated β-bridge	trans	-91.5	123.8	-179	-169.8	25.8	0	0	0	110.3	Q333 S352 F371	N331-Q333 HydrophobicContact CB-CG 4.29Å; N331-Q333 WeakPolarHBondContact ND2-CG 3.41Å; N331-Q333 PolarHBondContact O-N 3Å; N331-Q333 VanDerWaalsContact O-N 3.12Å; N331-S352 PolarHBondContact ND2-OG 3.4Å; N331-F371 PolarHBondContact OD1-O 3.04Å
332	L	91.4	Very high	90.5	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.191	C	C	.	.			trans	-79.8	87.4	169.9	-170.8	70.2	0	0	0	108.8	Y326 I334 F371 I403 V503 I514	Y326-L332 HydrophobicContact CE1-CD1 4.39Å; L332-I334 HydrophobicContact CD2-CD1 3.94Å; L332-I334 HydrophobicContact CD2-CG1 4.45Å; L332-I334 HydrophobicContact CG-CD1 4.22Å; L332-I334 HydrophobicContact CG-CG1 4.18Å; L332-I334 PolarHBondContact O-N 3.2Å; L332-I334 VanDerWaalsContact O-N 3.08Å; L332-F371 WeakPolarHBondContact CB-O 3.19Å; L332-F371 PolarHBondContact N-O 3.36Å; L332-I403 HydrophobicContact CD1-CD1 3.53Å; L332-I403 HydrophobicContact CD1-CG1 4.42Å; L332-V503 HydrophobicContact CD2-CG2 4.12Å; L332-I514 HydrophobicContact CD1-CD1 4.17Å
333	Q	92.5	Very high	90.7	Very high	61 Å²	61	37.3 Å²	37.3	29%	0.285	19%	0.191	S	C	.	.			trans	-74.2	102	-176.6	-67.6	-176.5	-67	0	0	111	N331 Y335 Y404	N331-Q333 HydrophobicContact CB-CG 4.29Å; N331-Q333 WeakPolarHBondContact ND2-CG 3.41Å; N331-Q333 PolarHBondContact O-N 3Å; N331-Q333 VanDerWaalsContact O-N 3.12Å; Q333-Y335 HydrophobicContact CB-CE2 4.43Å; Q333-Y404 HydrophobicContact CB-CD1 4.01Å; Q333-Y404 HydrophobicContact CB-CG 4.38Å; Q333-Y404 HydrophobicContact CG-CD1 4.49Å; Q333-Y404 PolarHBondContact O-N 2.97Å; Q333-Y404 VanDerWaalsContact OE1-CE1 3.22Å
334	I	94.7	Very high	91.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.1	176.3	-62.5	-177	0	0	0	109.2	L332 L336 A351 F371 Y402 I418 I501	L332-I334 HydrophobicContact CD2-CD1 3.94Å; L332-I334 HydrophobicContact CD2-CG1 4.45Å; L332-I334 HydrophobicContact CG-CD1 4.22Å; L332-I334 HydrophobicContact CG-CG1 4.18Å; L332-I334 PolarHBondContact O-N 3.2Å; L332-I334 VanDerWaalsContact O-N 3.08Å; I334-L336 HydrophobicContact CG2-CD2 4.15Å; I334-A351 HydrophobicContact CB-CB 4.23Å; I334-A351 HydrophobicContact CG2-CB 4.16Å; I334-A351 WeakPolarHBondContact O-CB 3.34Å; I334-A351 PolarHBondContact O-N 2.89Å; I334-F371 HydrophobicContact CB-CD1 4.45Å; I334-F371 HydrophobicContact CB-CE1 4.29Å; I334-F371 HydrophobicContact CD1-CD1 4.09Å; I334-F371 HydrophobicContact CD1-CE1 3.98Å; I334-F371 HydrophobicContact CG1-CD1 4.34Å; I334-F371 HydrophobicContact CG1-CE1 4.44Å; I334-Y402 CarbonylContact C-O 3.56Å; I334-Y402 WeakPolarHBondContact CA-O 3.29Å; I334-I418 HydrophobicContact CD1-CD1 3.86Å; I334-I418 HydrophobicContact CG1-CD1 3.96Å; I334-I418 HydrophobicContact CG2-CD1 3.89Å; I334-I501 HydrophobicContact CD1-CD1 4.1Å; I334-I501 HydrophobicContact CD1-CG2 4.48Å
335	Y	94.3	Very high	91.4	Very high	45 Å²	45	34.6 Å²	34.6	18%	0.176	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	138	173.7	-77.1	-96.5	0	0	0	110.3	Q333 F348 Q349 D350 P401 Y402 Y404 L415	Q333-Y335 HydrophobicContact CB-CE2 4.43Å; Y335-F348 HydrophobicContact CD1-CB 3.99Å; Y335-Q349 CarbonylContact C-O 3.53Å; Y335-Q349 WeakPolarHBondContact CA-O 3.31Å; Y335-D350 HydrophobicContact CE1-CB 4.3Å; Y335-P401 CarbonylContact O-C 3.51Å; Y335-Y402 PolarHBondContact N-O 3.01Å; Y335-Y402 PolarHBondContact O-N 2.73Å; Y335-Y404 HydrophobicContact CD2-CD2 4.49Å; Y335-Y404 HydrophobicContact CD2-CG 4.27Å; Y335-Y404 AromaticContact CE2-CD2 4Å; Y335-Y404 HydrophobicContact CE2-CD2 4Å; Y335-Y404 AromaticContact CE2-CG 3.82Å; Y335-Y404 HydrophobicContact CE2-CG 3.82Å; Y335-L415 HydrophobicContact CD2-CD2 4.21Å; Y335-L415 HydrophobicContact CG-CD2 4.42Å
336	L	95.4	Very high	91.6	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	117.6	174.9	-52.1	176.9	0	0	0	108.7	I334 A338 F348 Q349 A351 Q356 L357 Y399 D400 P401	I334-L336 HydrophobicContact CG2-CD2 4.15Å; L336-A338 PolarHBondContact O-N 2.88Å; L336-F348 CarbonylContact O-C 3.43Å; L336-F348 WeakPolarHBondContact O-CA 3.42Å; L336-Q349 PolarHBondContact N-O 3.17Å; L336-Q349 PolarHBondContact O-N 3.2Å; L336-A351 HydrophobicContact CD1-CB 3.94Å; L336-A351 HydrophobicContact CD2-CB 4.37Å; L336-A351 HydrophobicContact CG-CB 3.93Å; L336-Q356 HydrophobicContact CD1-CB 3.66Å; L336-Q356 HydrophobicContact CD1-CG 4.41Å; L336-L357 HydrophobicContact CD1-CD2 3.9Å; L336-L357 HydrophobicContact CD1-CG 3.97Å; L336-L357 HydrophobicContact CD2-CD1 4.24Å; L336-L357 HydrophobicContact CD2-CD2 4.23Å; L336-L357 HydrophobicContact CD2-CG 4.4Å; L336-Y399 HydrophobicContact CB-CD1 3.73Å; L336-Y399 HydrophobicContact CB-CG 4.31Å; L336-Y399 HydrophobicContact CD1-CD1 3.83Å; L336-Y399 HydrophobicContact CD1-CE1 4.21Å; L336-Y399 HydrophobicContact CD1-CG 4.08Å; L336-Y399 HydrophobicContact CG-CD1 4.38Å; L336-D400 WeakPolarHBondContact CA-O 3.33Å; L336-P401 HydrophobicContact CD2-CB 3.74Å
337	A	94.7	Very high	91.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	112.2	164.6	0	0	0	0	0	107.8	F339 F345 F348 Y399 D400 Y402	A337-F339 HydrophobicContact CB-CE2 3.88Å; A337-F339 HydrophobicContact CB-CZ 4.18Å; A337-F339 WeakPolarHBondContact O-CD2 3.34Å; A337-F339 VanDerWaalsContact O-CE2 3.3Å; A337-F339 WeakPolarHBondContact O-CE2 3.34Å; A337-F345 HydrophobicContact CB-CE2 3.78Å; A337-F345 HydrophobicContact CB-CZ 4.45Å; A337-F348 HydrophobicContact CB-CD1 4.08Å; A337-F348 HydrophobicContact CB-CE1 3.9Å; A337-Y399 WeakPolarHBondContact O-CA 3.18Å; A337-D400 HydrophobicContact CB-CB 4.19Å; A337-D400 PolarHBondContact N-O 2.89Å; A337-D400 PolarHBondContact O-N 2.88Å; A337-Y402 HydrophobicContact CB-CE2 3.85Å
338	A	95.5	Very high	91.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	139.1	-172.2	0	0	0	0	0	111.9	L336 F345 L346 G347 Q349 V397 F398 Y399	L336-A338 PolarHBondContact O-N 2.88Å; A338-F345 VanDerWaalsContact O-CD2 3.27Å; A338-F345 WeakPolarHBondContact O-CD2 3.49Å; A338-L346 HydrophobicContact CB-CB 4Å; A338-L346 HydrophobicContact CB-CD1 4.24Å; A338-L346 PolarHBondContact O-N 3.33Å; A338-G347 PolarHBondContact N-O 3.11Å; A338-Q349 HydrophobicContact CB-CG 4.22Å; A338-V397 HydrophobicContact CB-CG1 4.1Å; A338-F398 CarbonylContact C-O 3.59Å; A338-F398 VanDerWaalsContact CA-O 3.31Å; A338-F398 WeakPolarHBondContact CA-O 3.39Å; A338-Y399 HydrophobicContact CB-CD1 3.9Å; A338-Y399 HydrophobicContact CB-CE1 3.82Å
339	F	96.2	Very high	92.3	Very high	1 Å²	1	36 Å²	36	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	140.5	-180	-53.7	-95	0	0	0	111.5	Q255 A337 E344 F345 F398 R472	Q255-F339 VanDerWaalsContact CD-CE1 3.45Å; Q255-F339 HydrophobicContact CG-CD1 4.36Å; Q255-F339 HydrophobicContact CG-CE1 4.23Å; Q255-F339 VanDerWaalsContact NE2-CE1 3.3Å; A337-F339 HydrophobicContact CB-CE2 3.88Å; A337-F339 HydrophobicContact CB-CZ 4.18Å; A337-F339 WeakPolarHBondContact O-CD2 3.34Å; A337-F339 VanDerWaalsContact O-CE2 3.3Å; A337-F339 WeakPolarHBondContact O-CE2 3.34Å; F339-E344 CarbonylContact C-O 3.39Å; F339-E344 VanDerWaalsContact CA-O 3.29Å; F339-E344 WeakPolarHBondContact CA-O 3.35Å; F339-F345 HydrophobicContact CD1-CB 4.02Å; F339-F345 AromaticContact CD1-CD2 3.78Å; F339-F345 HydrophobicContact CD1-CD2 3.78Å; F339-F345 HydrophobicContact CD1-CG 4.38Å; F339-F345 HydrophobicContact CE1-CB 3.95Å; F339-F345 AromaticContact CE1-CD2 3.34Å; F339-F345 HydrophobicContact CE1-CD2 3.34Å; F339-F345 HydrophobicContact CE1-CE2 4.19Å; F339-F345 AromaticContact CE1-CG 3.99Å; F339-F345 HydrophobicContact CE1-CG 3.99Å; F339-F345 HydrophobicContact CE2-CD2 4.29Å; F339-F345 HydrophobicContact CG-CD2 4.42Å; F339-F345 AromaticContact CZ-CD2 3.63Å; F339-F345 HydrophobicContact CZ-CD2 3.63Å; F339-F345 HydrophobicContact CZ-CE2 4.02Å; F339-F398 HydrophobicContact CB-CB 4.29Å; F339-F398 PolarHBondContact N-O 3.31Å; F339-F398 PolarHBondContact O-N 3.44Å; F339-R472 VanDerWaalsContact CE2-NH2 3.27Å
340	K	94.9	Very high	92.7	Very high	80 Å²	80	33.5 Å²	33.5	35%	0.348	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	161.8	168.8	-76.7	172.3	176.7	159.3	0	110.9	N259 N342 G343 E344 L346	N259-K340 PolarHBondContact ND2-O 3.05Å; K340-N342 WeakPolarHBondContact CB-OD1 3Å; K340-N342 PolarHBondContact O-N 3.11Å; K340-N342 VanDerWaalsContact O-N 3.12Å; K340-G343 PolarHBondContact O-N 2.83Å; K340-E344 HydrophobicContact CB-CB 4.28Å; K340-E344 HydrophobicContact CD-CB 4.17Å; K340-E344 HydrophobicContact CD-CG 4.44Å; K340-E344 VanDerWaalsContact CD-OE2 3.3Å; K340-E344 WeakPolarHBondContact CD-OE2 3.33Å; K340-E344 PolarHBondContact N-O 3.35Å; K340-E344 IonicContact NZ-OE1 2.66Å; K340-E344 PolarHBondContact NZ-OE1 3.01Å; K340-E344 IonicContact NZ-OE2 3.52Å; K340-E344 PolarHBondContact NZ-OE2 3.22Å; K340-L346 HydrophobicContact CD-CD2 3.83Å; K340-L346 VanDerWaalsContact CE-CD2 3.46Å; K340-L346 HydrophobicContact CG-CD1 3.99Å; K340-L346 HydrophobicContact CG-CD2 3.73Å; K340-L346 HydrophobicContact CG-CG 4.01Å
341	I	92.9	Very high	92.8	Very high	29 Å²	29	32.3 Å²	32.3	15%	0.149	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-30.7	177.7	-161.8	-176.6	0	0	0	114.1	Y232 L256 G343 L396 F398 F479	Y232-I341 HydrophobicContact CD1-CD1 3.78Å; Y232-I341 HydrophobicContact CD1-CG1 4.42Å; Y232-I341 HydrophobicContact CE1-CD1 3.39Å; Y232-I341 HydrophobicContact CE1-CG1 3.6Å; Y232-I341 HydrophobicContact CE2-CD1 4.21Å; Y232-I341 HydrophobicContact CG-CD1 4.34Å; Y232-I341 PolarHBondContact OH-O 3.24Å; L256-I341 WeakPolarHBondContact CD1-O 3.42Å; I341-G343 PolarHBondContact O-N 3.2Å; I341-L396 HydrophobicContact CB-CD2 4.43Å; I341-L396 HydrophobicContact CD1-CD2 3.76Å; I341-L396 HydrophobicContact CG1-CD2 4.03Å; I341-F398 HydrophobicContact CB-CE2 4.31Å; I341-F398 HydrophobicContact CG1-CE2 4.31Å; I341-F479 HydrophobicContact CD1-CB 3.97Å; I341-F479 HydrophobicContact CD1-CD1 3.32Å; I341-F479 HydrophobicContact CD1-CD2 4.1Å; I341-F479 HydrophobicContact CD1-CE1 3.8Å; I341-F479 HydrophobicContact CD1-CE2 4.49Å; I341-F479 HydrophobicContact CD1-CG 3.5Å; I341-F479 HydrophobicContact CD1-CZ 4.35Å
342	N	91	Very high	92.7	Very high	73 Å²	73	29.1 Å²	29.1	39%	0.39	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	0.3	178.1	67	-8	0	0	0	114.2	K340 E344	K340-N342 WeakPolarHBondContact CB-OD1 3Å; K340-N342 PolarHBondContact O-N 3.11Å; K340-N342 VanDerWaalsContact O-N 3.12Å; N342-E344 WeakPolarHBondContact OD1-CB 3.5Å; N342-E344 PolarHBondContact OD1-N 3.26Å
343	G	92	Very high	92.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	90	-0.4	-178.3	0	0	0	0	0	115.1	Q255 K340 I341	Q255-G343 VanDerWaalsContact CB-O 3.24Å; Q255-G343 WeakPolarHBondContact CB-O 3.11Å; K340-G343 PolarHBondContact O-N 2.83Å; I341-G343 PolarHBondContact O-N 3.2Å
344	E	91.7	Very high	91.5	Very high	73 Å²	73	31 Å²	31	34%	0.341	16%	0.156	S	C	.	.			trans	-67.5	132.6	176.1	-174.1	-167.8	142.6	0	0	110.9	F339 K340 N342	F339-E344 CarbonylContact C-O 3.39Å; F339-E344 VanDerWaalsContact CA-O 3.29Å; F339-E344 WeakPolarHBondContact CA-O 3.35Å; K340-E344 HydrophobicContact CB-CB 4.28Å; K340-E344 HydrophobicContact CD-CB 4.17Å; K340-E344 HydrophobicContact CD-CG 4.44Å; K340-E344 VanDerWaalsContact CD-OE2 3.3Å; K340-E344 WeakPolarHBondContact CD-OE2 3.33Å; K340-E344 PolarHBondContact N-O 3.35Å; K340-E344 IonicContact NZ-OE1 2.66Å; K340-E344 PolarHBondContact NZ-OE1 3.01Å; K340-E344 IonicContact NZ-OE2 3.52Å; K340-E344 PolarHBondContact NZ-OE2 3.22Å; N342-E344 WeakPolarHBondContact OD1-CB 3.5Å; N342-E344 PolarHBondContact OD1-N 3.26Å
345	F	92.9	Very high	90.9	Very high	15 Å²	15	31.5 Å²	31.5	7%	0.066	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	124.2	177	179.4	-123.1	0	0	0	110.4	F40 L45 F64 A337 A338 F339 G347 F348	F40-F345 HydrophobicContact CD1-CD1 4.3Å; F40-F345 HydrophobicContact CD1-CE1 4.22Å; F40-F345 AromaticContact CE1-CD1 3.88Å; F40-F345 HydrophobicContact CE1-CD1 3.88Å; F40-F345 AromaticContact CE1-CE1 3.46Å; F40-F345 HydrophobicContact CE1-CE1 3.46Å; F40-F345 VanDerWaalsContact CE1-CE1 3.46Å; F40-F345 HydrophobicContact CE1-CZ 4.27Å; F40-F345 HydrophobicContact CZ-CE1 4.17Å; L45-F345 HydrophobicContact CD2-CZ 4.44Å; F64-F345 AromaticContact CE1-CD1 3.7Å; F64-F345 HydrophobicContact CE1-CD1 3.7Å; F64-F345 HydrophobicContact CE1-CE1 4.48Å; F64-F345 AromaticContact CZ-CD1 3.95Å; F64-F345 HydrophobicContact CZ-CD1 3.95Å; A337-F345 HydrophobicContact CB-CE2 3.78Å; A337-F345 HydrophobicContact CB-CZ 4.45Å; A338-F345 VanDerWaalsContact O-CD2 3.27Å; A338-F345 WeakPolarHBondContact O-CD2 3.49Å; F339-F345 HydrophobicContact CD1-CB 4.02Å; F339-F345 AromaticContact CD1-CD2 3.78Å; F339-F345 HydrophobicContact CD1-CD2 3.78Å; F339-F345 HydrophobicContact CD1-CG 4.38Å; F339-F345 HydrophobicContact CE1-CB 3.95Å; F339-F345 AromaticContact CE1-CD2 3.34Å; F339-F345 HydrophobicContact CE1-CD2 3.34Å; F339-F345 HydrophobicContact CE1-CE2 4.19Å; F339-F345 AromaticContact CE1-CG 3.99Å; F339-F345 HydrophobicContact CE1-CG 3.99Å; F339-F345 HydrophobicContact CE2-CD2 4.29Å; F339-F345 HydrophobicContact CG-CD2 4.42Å; F339-F345 AromaticContact CZ-CD2 3.63Å; F339-F345 HydrophobicContact CZ-CD2 3.63Å; F339-F345 HydrophobicContact CZ-CE2 4.02Å; F345-G347 VanDerWaalsContact CE1-CA 3.5Å; F345-G347 WeakPolarHBondContact CE2-O 3.38Å; F345-G347 VanDerWaalsContact CZ-C 3.43Å; F345-F348 HydrophobicContact CZ-CD2 4.27Å; F345-F348 HydrophobicContact CZ-CE2 4.29Å
346	L	92.1	Very high	90.7	Very high	70 Å²	70	31.6 Å²	31.6	37%	0.366	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-7.5	-178.4	-64	174.1	0	0	0	113.4	A338 K340 V397	A338-L346 HydrophobicContact CB-CB 4Å; A338-L346 HydrophobicContact CB-CD1 4.24Å; A338-L346 PolarHBondContact O-N 3.33Å; K340-L346 HydrophobicContact CD-CD2 3.83Å; K340-L346 VanDerWaalsContact CE-CD2 3.46Å; K340-L346 HydrophobicContact CG-CD1 3.99Å; K340-L346 HydrophobicContact CG-CD2 3.73Å; K340-L346 HydrophobicContact CG-CG 4.01Å; L346-V397 HydrophobicContact CD1-CG1 4.17Å
347	G	91.2	Very high	90.6	Very high	20 Å²	20	31.8 Å²	31.8	21%	0.206	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	101.2	-177.7	-172.7	0	0	0	0	0	113.2	A338 F345	A338-G347 PolarHBondContact N-O 3.11Å; F345-G347 VanDerWaalsContact CE1-CA 3.5Å; F345-G347 WeakPolarHBondContact CE2-O 3.38Å; F345-G347 VanDerWaalsContact CZ-C 3.43Å
348	F	91.3	Very high	90.5	Very high	48 Å²	48	31.9 Å²	31.9	21%	0.211	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	131.4	173.3	-69.5	-77.9	0	0	0	110.4	L22 F40 L45 Y335 L336 A337 F345 Y402 L415	L22-F348 HydrophobicContact CD1-CD2 4.18Å; L22-F348 HydrophobicContact CD1-CE2 4.22Å; L22-F348 HydrophobicContact CD1-CG 4.47Å; F40-F348 HydrophobicContact CZ-CE2 4.4Å; L45-F348 HydrophobicContact CD1-CE1 4.25Å; L45-F348 HydrophobicContact CD1-CZ 3.92Å; L45-F348 HydrophobicContact CD2-CZ 3.95Å; L45-F348 HydrophobicContact CG-CZ 4.39Å; Y335-F348 HydrophobicContact CD1-CB 3.99Å; L336-F348 CarbonylContact O-C 3.43Å; L336-F348 WeakPolarHBondContact O-CA 3.42Å; A337-F348 HydrophobicContact CB-CD1 4.08Å; A337-F348 HydrophobicContact CB-CE1 3.9Å; F345-F348 HydrophobicContact CZ-CD2 4.27Å; F345-F348 HydrophobicContact CZ-CE2 4.29Å; F348-Y402 HydrophobicContact CE1-CD2 4.36Å; F348-Y402 HydrophobicContact CE1-CE2 4.41Å; F348-L415 HydrophobicContact CD1-CD1 4.34Å; F348-L415 HydrophobicContact CE1-CD1 3.6Å; F348-L415 HydrophobicContact CZ-CD1 3.77Å
349	Q	92.4	Very high	90.4	Very high	60 Å²	60	32.3 Å²	32.3	28%	0.28	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.5	173	-60	-178	9.9	0	0	109.2	Y335 L336 A338 A351	Y335-Q349 CarbonylContact C-O 3.53Å; Y335-Q349 WeakPolarHBondContact CA-O 3.31Å; L336-Q349 PolarHBondContact N-O 3.17Å; L336-Q349 PolarHBondContact O-N 3.2Å; A338-Q349 HydrophobicContact CB-CG 4.22Å; Q349-A351 PolarHBondContact O-N 2.91Å
350	D	91.9	Very high	90.1	Very high	31 Å²	31	32.4 Å²	32.4	17%	0.166	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	103.7	175.4	179.9	11.3	0	0	0	109.7	Y335 S352 Q353	Y335-D350 HydrophobicContact CE1-CB 4.3Å; D350-S352 PolarHBondContact O-N 3.5Å; D350-S352 WeakPolarHBondContact OD1-CA 3.45Å; D350-S352 VanDerWaalsContact OD1-CB 3.23Å; D350-S352 WeakPolarHBondContact OD1-CB 3.38Å; D350-S352 PolarHBondContact OD1-N 2.72Å; D350-S352 PolarHBondContact OD1-OG 2.62Å; D350-S352 PolarHBondContact OD2-OG 3.35Å; D350-Q353 HydrophobicContact CB-CG 4.1Å; D350-Q353 PolarHBondContact O-N 2.93Å; D350-Q353 PolarHBondContact OD2-NE2 2.79Å
351	A	91.9	Very high	89.8	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.008	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-65	-23.3	176.2	0	0	0	0	0	111.9	I334 L336 Q349 Q353 G354 F371	I334-A351 HydrophobicContact CB-CB 4.23Å; I334-A351 HydrophobicContact CG2-CB 4.16Å; I334-A351 WeakPolarHBondContact O-CB 3.34Å; I334-A351 PolarHBondContact O-N 2.89Å; L336-A351 HydrophobicContact CD1-CB 3.94Å; L336-A351 HydrophobicContact CD2-CB 4.37Å; L336-A351 HydrophobicContact CG-CB 3.93Å; Q349-A351 PolarHBondContact O-N 2.91Å; A351-Q353 PolarHBondContact O-N 2.95Å; A351-Q353 VanDerWaalsContact O-N 3.13Å; A351-G354 PolarHBondContact O-N 3.27Å; A351-F371 HydrophobicContact CB-CE1 4.12Å; A351-F371 HydrophobicContact CB-CZ 3.95Å; A351-F371 WeakPolarHBondContact O-CD2 2.97Å; A351-F371 WeakPolarHBondContact O-CE2 3.36Å; A351-F371 WeakPolarHBondContact O-CZ 3.43Å
352	S	85	Confident	89.6	Confident	4 Å²	4	36.8 Å²	36.8	3%	0.028	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-66.3	-13	178.2	78.6	0	0	0	0	113.3	N331 D350 G354	N331-S352 PolarHBondContact ND2-OG 3.4Å; D350-S352 PolarHBondContact O-N 3.5Å; D350-S352 WeakPolarHBondContact OD1-CA 3.45Å; D350-S352 VanDerWaalsContact OD1-CB 3.23Å; D350-S352 WeakPolarHBondContact OD1-CB 3.38Å; D350-S352 PolarHBondContact OD1-N 2.72Å; D350-S352 PolarHBondContact OD1-OG 2.62Å; D350-S352 PolarHBondContact OD2-OG 3.35Å; S352-G354 PolarHBondContact O-N 3.43Å
353	Q	83.8	Confident	89.5	Confident	89 Å²	89	36.2 Å²	36.2	42%	0.416	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-74.5	-12	169.7	-59.5	-55.1	-40.1	0	0	113.8	D350 A351 K368	D350-Q353 HydrophobicContact CB-CG 4.1Å; D350-Q353 PolarHBondContact O-N 2.93Å; D350-Q353 PolarHBondContact OD2-NE2 2.79Å; A351-Q353 PolarHBondContact O-N 2.95Å; A351-Q353 VanDerWaalsContact O-N 3.13Å; Q353-K368 VanDerWaalsContact O-CE 3.28Å; Q353-K368 WeakPolarHBondContact O-CE 3.49Å; Q353-K368 WeakPolarHBondContact O-CG 3.42Å
354	G	75.6	Confident	89.3	Confident	11 Å²	11	39.1 Å²	39.1	11%	0.113	21%	0.208	C	C	.	.	S	Bend	trans	87.2	149.1	178.3	0	0	0	0	0	114	A351 S352 Q356	A351-G354 PolarHBondContact O-N 3.27Å; S352-G354 PolarHBondContact O-N 3.43Å; G354-Q356 VanDerWaalsContact C-OE1 3.26Å; G354-Q356 PolarHBondContact O-OE1 3.15Å
355	G	83.5	Confident	89.1	Confident	12 Å²	12	38.4 Å²	38.4	12%	0.124	21%	0.212	C	C	.	.	S	Bend	trans	97.4	-15.7	167.9	0	0	0	0	0	117.4	K361	G355-K361 PolarHBondContact O-NZ 2.75Å
356	Q	89.1	Confident	88.9	Confident	47 Å²	47	41.6 Å²	41.6	22%	0.22	22%	0.223	C	C	.	.	S	Bend	trans	-78.2	-42.5	-179.1	-64.4	79.3	2.7	0	0	112.7	L336 G354	L336-Q356 HydrophobicContact CD1-CB 3.66Å; L336-Q356 HydrophobicContact CD1-CG 4.41Å; G354-Q356 VanDerWaalsContact C-OE1 3.26Å; G354-Q356 PolarHBondContact O-OE1 3.15Å
357	L	93	Very high	88.9	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.016	21%	0.21	C	C	.	.	S	Bend	trans	-95	2.4	175.1	-61.4	180	0	0	0	113	L336 L473 M475 I501 F542	L336-L357 HydrophobicContact CD1-CD2 3.9Å; L336-L357 HydrophobicContact CD1-CG 3.97Å; L336-L357 HydrophobicContact CD2-CD1 4.24Å; L336-L357 HydrophobicContact CD2-CD2 4.23Å; L336-L357 HydrophobicContact CD2-CG 4.4Å; L357-L473 HydrophobicContact CD2-CD1 4.14Å; L357-M475 HydrophobicContact CD2-SD 4.21Å; L357-M475 VanDerWaalsContact O-CE 3.31Å; L357-M475 WeakPolarHBondContact O-CE 3.31Å; L357-I501 HydrophobicContact CD1-CD1 4.32Å; L357-F542 HydrophobicContact CB-CD2 4.39Å; L357-F542 HydrophobicContact CB-CE2 3.75Å; L357-F542 WeakPolarHBondContact O-CD2 3.37Å
358	Q	93	Very high	88.9	Confident	3 Å²	3	41.8 Å²	41.8	1%	0.014	22%	0.216	C	C	.	.			trans	-112.6	110.6	-177.5	-71.1	157.3	-31.8	0	0	109.5	C360 K361 M367 F542	Q358-C360 VanDerWaalsContact C-N 3.32Å; Q358-K361 PolarHBondContact O-NZ 3.33Å; Q358-M367 PolarHBondContact NE2-O 3.41Å; Q358-F542 HydrophobicContact CG-CB 4.27Å; Q358-F542 HydrophobicContact CG-CD1 3.57Å; Q358-F542 HydrophobicContact CG-CD2 4Å; Q358-F542 HydrophobicContact CG-CE1 3.81Å; Q358-F542 HydrophobicContact CG-CE2 4.24Å; Q358-F542 HydrophobicContact CG-CG 3.66Å; Q358-F542 HydrophobicContact CG-CZ 4.14Å
359	L	92.8	Very high	88.8	Confident	9 Å²	9	39.7 Å²	39.7	5%	0.047	21%	0.208	C	C	.	.	S	Bend	trans	-69.7	-34.2	171.3	-68	179	0	0	0	111.3	K361 L383 Y394 M475 V476 Y495 I540	L359-K361 PolarHBondContact O-N 2.9Å; L359-L383 HydrophobicContact CB-CD1 3.94Å; L359-Y394 HydrophobicContact CD2-CD1 3.92Å; L359-Y394 HydrophobicContact CD2-CE1 3.84Å; L359-M475 HydrophobicContact CD1-CE 4.35Å; L359-M475 HydrophobicContact CD2-CB 4.07Å; L359-M475 HydrophobicContact CD2-CE 3.94Å; L359-M475 HydrophobicContact CG-CE 3.66Å; L359-V476 HydrophobicContact CD1-CG2 4.3Å; L359-V476 HydrophobicContact CD2-CG2 3.81Å; L359-Y495 HydrophobicContact CD1-CD2 4.44Å; L359-I540 HydrophobicContact CB-CD1 4.46Å; L359-I540 HydrophobicContact CB-CG2 4.19Å; L359-I540 HydrophobicContact CD1-CD1 3.94Å; L359-I540 HydrophobicContact CD1-CG2 4.16Å
360	C	91.2	Very high	88.8	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.014	19%	0.194	C	C	.	.	S	Bend	trans	-69.2	113.4	172.7	-62.9	0	0	0	0	110.7	Q358 Q379 C381	Q358-C360 VanDerWaalsContact C-N 3.32Å; C360-Q379 HydrophobicContact CB-CG 3.86Å; C360-Q379 VanDerWaalsContact CB-NE2 3.32Å; C360-Q379 PolarHBondContact O-NE2 2.92Å; C360-C381 WeakPolarHBondContact CA-SG 3.46Å; C360-C381 HydrophobicContact CB-CB 3.78Å; C360-C381 WeakPolarHBondContact CB-SG 3.43Å; C360-C381 WeakPolarHBondContact SG-CB 3.18Å; C360-C381 PolarHBondContact SG-N 2.65Å; C360-C381 VanDerWaalsContact SG-N 3.44Å; C360-C381 CovalentContact SG-SG 2.03Å; C360-C381 PolarHBondContact SG-SG 2.85Å
361	K	88.5	Confident	88.9	Confident	139 Å²	139	35.5 Å²	35.5	60%	0.604	19%	0.187	S	C	*	.			trans	-83.1	131.8	174.2	-57.9	-55.1	180	-166.4	0	110.1	G355 Q358 L359	G355-K361 PolarHBondContact O-NZ 2.75Å; Q358-K361 PolarHBondContact O-NZ 3.33Å; L359-K361 PolarHBondContact O-N 2.9Å
362	D	88.8	Confident	88.9	Confident	62 Å²	62	39.3 Å²	39.3	33%	0.332	21%	0.205	S	C	.	.			trans	-143.3	-176.1	174.9	-157.6	-30.7	0	0	0	108.3	R366 M367	D362-R366 WeakPolarHBondContact OD1-CD 3.34Å; D362-R366 IonicContact OD1-NH1 3.07Å; D362-R366 WeakPolarHBondContact OD2-CD 2.92Å; D362-R366 IonicContact OD2-NH1 2.9Å; D362-M367 HydrophobicContact CB-CG 4.16Å; D362-M367 WeakPolarHBondContact O-CE 3.13Å
363	T	88.1	Confident	89.1	Confident	62 Å²	62	39.1 Å²	39.1	38%	0.38	20%	0.203	S	C	.	.			trans	-56.1	144.8	169.5	55.3	0	0	0	0	111.7	S365 R366 M367	T363-S365 VanDerWaalsContact C-N 3.25Å; T363-S365 PolarHBondContact O-N 2.93Å; T363-S365 PolarHBondContact OG1-OG 2.93Å; T363-R366 PolarHBondContact O-N 2.61Å; T363-R366 WeakPolarHBondContact OG1-CB 3.45Å; T363-R366 WeakPolarHBondContact OG1-CD 3.2Å; T363-R366 WeakPolarHBondContact OG1-CG 3.48Å; T363-M367 PolarHBondContact O-N 2.78Å
364	S	88.1	Confident	89.3	Confident	60 Å²	60	35 Å²	35	42%	0.42	18%	0.184	S	C	.	.	H	α-helix	trans	-58.9	-36.7	-179.4	-177.2	0	0	0	0	112.3	R366 M367 K368	S364-R366 PolarHBondContact O-N 3.24Å; S364-M367 PolarHBondContact O-N 3.14Å; S364-K368 VanDerWaalsContact O-CB 3.28Å; S364-K368 WeakPolarHBondContact O-CB 3.46Å; S364-K368 WeakPolarHBondContact O-CG 3.47Å; S364-K368 PolarHBondContact O-N 2.75Å; S364-K368 VanDerWaalsContact OG-CE 3.32Å; S364-K368 WeakPolarHBondContact OG-CE 2.89Å
365	S	86.6	Confident	89.9	Confident	59 Å²	59	34.7 Å²	34.7	41%	0.413	18%	0.18	S	C	.	.	H	α-helix	trans	-58.2	-48.3	175.9	49.2	0	0	0	0	112.2	T363 K368 A369 Y800	T363-S365 VanDerWaalsContact C-N 3.25Å; T363-S365 PolarHBondContact O-N 2.93Å; T363-S365 PolarHBondContact OG1-OG 2.93Å; S365-K368 PolarHBondContact O-N 3.09Å; S365-A369 PolarHBondContact O-N 2.62Å; S365-Y800 PolarHBondContact OG-O 2.98Å
366	R	89.4	Confident	90.3	Very high	81 Å²	81	35.6 Å²	35.6	31%	0.306	18%	0.183	S	C	.	.	H	α-helix	trans	-68.8	-40.1	179.6	-71.9	-178.3	171.8	-175.1	1.7	112.4	D362 T363 S364 A369 Y377 S799 E801	D362-R366 WeakPolarHBondContact OD1-CD 3.34Å; D362-R366 IonicContact OD1-NH1 3.07Å; D362-R366 WeakPolarHBondContact OD2-CD 2.92Å; D362-R366 IonicContact OD2-NH1 2.9Å; T363-R366 PolarHBondContact O-N 2.61Å; T363-R366 WeakPolarHBondContact OG1-CB 3.45Å; T363-R366 WeakPolarHBondContact OG1-CD 3.2Å; T363-R366 WeakPolarHBondContact OG1-CG 3.48Å; S364-R366 PolarHBondContact O-N 3.24Å; R366-A369 WeakPolarHBondContact O-CB 3.19Å; R366-A369 PolarHBondContact O-N 3.23Å; R366-Y377 WeakPolarHBondContact O-CE2 3.06Å; R366-Y377 PolarHBondContact O-OH 3.38Å; R366-S799 PolarHBondContact NH2-O 3.44Å; R366-E801 PolarHBondContact NE-O 2.81Å
367	M	91.1	Very high	90.5	Very high	20 Å²	20	33.5 Å²	33.5	10%	0.099	17%	0.173	C	C	.	.	H	α-helix	trans	-66.3	-39.1	177.3	-70.9	-172	-57.8	0	0	112.1	Q358 D362 T363 S364 A369 A370	Q358-M367 PolarHBondContact NE2-O 3.41Å; D362-M367 HydrophobicContact CB-CG 4.16Å; D362-M367 WeakPolarHBondContact O-CE 3.13Å; T363-M367 PolarHBondContact O-N 2.78Å; S364-M367 PolarHBondContact O-N 3.14Å; M367-A369 VanDerWaalsContact C-N 3.3Å; M367-A369 PolarHBondContact O-N 2.88Å; M367-A370 WeakPolarHBondContact O-CB 3.35Å; M367-A370 PolarHBondContact O-N 3.28Å
368	K	91.7	Very high	90.5	Very high	74 Å²	74	41 Å²	41	32%	0.322	20%	0.202	S	C	.	.	H	α-helix	trans	-65.4	-30.2	176.3	-75.2	176	171.2	-173.6	0	113.2	Q353 S364 S365 A370 F371	Q353-K368 VanDerWaalsContact O-CE 3.28Å; Q353-K368 WeakPolarHBondContact O-CE 3.49Å; Q353-K368 WeakPolarHBondContact O-CG 3.42Å; S364-K368 VanDerWaalsContact O-CB 3.28Å; S364-K368 WeakPolarHBondContact O-CB 3.46Å; S364-K368 WeakPolarHBondContact O-CG 3.47Å; S364-K368 PolarHBondContact O-N 2.75Å; S364-K368 VanDerWaalsContact OG-CE 3.32Å; S364-K368 WeakPolarHBondContact OG-CE 2.89Å; S365-K368 PolarHBondContact O-N 3.09Å; K368-A370 PolarHBondContact O-N 2.86Å; K368-A370 VanDerWaalsContact O-N 3.15Å; K368-F371 PolarHBondContact O-N 3.03Å
369	A	90.3	Very high	90.5	Very high	5 Å²	5	41.7 Å²	41.7	4%	0.041	21%	0.205	C	C	.	.	H	α-helix	trans	-58.2	-26.6	177.4	0	0	0	0	0	113	S365 R366 M367 F371 Q372 Y377 Y802	S365-A369 PolarHBondContact O-N 2.62Å; R366-A369 WeakPolarHBondContact O-CB 3.19Å; R366-A369 PolarHBondContact O-N 3.23Å; M367-A369 VanDerWaalsContact C-N 3.3Å; M367-A369 PolarHBondContact O-N 2.88Å; A369-F371 PolarHBondContact O-N 2.91Å; A369-Q372 WeakPolarHBondContact O-CB 3.44Å; A369-Q372 PolarHBondContact O-N 3.3Å; A369-Q372 VanDerWaalsContact O-N 3.08Å; A369-Y377 HydrophobicContact CB-CD2 4.39Å; A369-Y377 HydrophobicContact CB-CE2 4.43Å; A369-Y802 HydrophobicContact CB-CD1 4.29Å; A369-Y802 HydrophobicContact CB-CG 4.12Å
370	A	92.5	Very high	90.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-31.3	174.2	0	0	0	0	0	114.1	M367 K368 Y377 F542 V544	M367-A370 WeakPolarHBondContact O-CB 3.35Å; M367-A370 PolarHBondContact O-N 3.28Å; K368-A370 PolarHBondContact O-N 2.86Å; K368-A370 VanDerWaalsContact O-N 3.15Å; A370-Y377 HydrophobicContact CB-CD1 3.64Å; A370-Y377 HydrophobicContact CB-CD2 3.92Å; A370-Y377 HydrophobicContact CB-CE1 3.91Å; A370-Y377 HydrophobicContact CB-CE2 4.17Å; A370-Y377 HydrophobicContact CB-CG 3.63Å; A370-F542 HydrophobicContact CB-CE1 3.76Å; A370-F542 HydrophobicContact CB-CZ 4.49Å; A370-V544 HydrophobicContact CB-CG2 4.11Å; A370-V544 VanDerWaalsContact O-CG2 3.32Å; A370-V544 WeakPolarHBondContact O-CG2 3.42Å
371	F	93.5	Very high	90.8	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.009	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	7.2	-177.9	-56.2	-85	0	0	0	111.7	N331 L332 I334 A351 K368 A369 F373 I501 F542	N331-F371 PolarHBondContact OD1-O 3.04Å; L332-F371 WeakPolarHBondContact CB-O 3.19Å; L332-F371 PolarHBondContact N-O 3.36Å; I334-F371 HydrophobicContact CB-CD1 4.45Å; I334-F371 HydrophobicContact CB-CE1 4.29Å; I334-F371 HydrophobicContact CD1-CD1 4.09Å; I334-F371 HydrophobicContact CD1-CE1 3.98Å; I334-F371 HydrophobicContact CG1-CD1 4.34Å; I334-F371 HydrophobicContact CG1-CE1 4.44Å; A351-F371 HydrophobicContact CB-CE1 4.12Å; A351-F371 HydrophobicContact CB-CZ 3.95Å; A351-F371 WeakPolarHBondContact O-CD2 2.97Å; A351-F371 WeakPolarHBondContact O-CE2 3.36Å; A351-F371 WeakPolarHBondContact O-CZ 3.43Å; K368-F371 PolarHBondContact O-N 3.03Å; A369-F371 PolarHBondContact O-N 2.91Å; F371-F373 PolarHBondContact O-N 2.98Å; F371-I501 HydrophobicContact CE1-CD1 4.06Å; F371-F542 HydrophobicContact CZ-CZ 4.33Å
372	Q	90.5	Very high	91	Very high	82 Å²	82	44.7 Å²	44.7	38%	0.383	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-74.6	126.1	165.7	-68.5	-178.9	-0.2	0	0	109.2	A369 T375 Y546	A369-Q372 WeakPolarHBondContact O-CB 3.44Å; A369-Q372 PolarHBondContact O-N 3.3Å; A369-Q372 VanDerWaalsContact O-N 3.08Å; Q372-T375 WeakPolarHBondContact CB-OG1 3.33Å; Q372-T375 WeakPolarHBondContact O-CB 3.2Å; Q372-T375 PolarHBondContact O-N 3.02Å; Q372-Y546 PolarHBondContact O-OH 3.47Å; Q372-Y546 VanDerWaalsContact O-OH 3.08Å
373	F	90.3	Very high	91.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	135.6	-176.9	-171.1	-88.9	0	0	0	111	Y326 S327 N329 S330 F371 T375 V503 I514 Y546 Y632	Y326-F373 AromaticContact CD1-CD2 3.71Å; Y326-F373 HydrophobicContact CD1-CD2 3.71Å; Y326-F373 HydrophobicContact CD1-CE2 4.08Å; Y326-F373 HydrophobicContact CD1-CG 4.02Å; Y326-F373 HydrophobicContact CD2-CE2 4.25Å; Y326-F373 HydrophobicContact CE1-CD2 4.41Å; Y326-F373 HydrophobicContact CG-CD1 4.49Å; Y326-F373 AromaticContact CG-CD2 3.87Å; Y326-F373 HydrophobicContact CG-CD2 3.87Å; Y326-F373 HydrophobicContact CG-CE1 4.41Å; Y326-F373 AromaticContact CG-CE2 3.77Å; Y326-F373 HydrophobicContact CG-CE2 3.77Å; Y326-F373 HydrophobicContact CG-CG 4.23Å; Y326-F373 HydrophobicContact CG-CZ 4.06Å; S327-F373 WeakPolarHBondContact O-CD1 3.47Å; N329-F373 PolarHBondContact N-O 2.95Å; S330-F373 WeakPolarHBondContact O-CB 3.48Å; S330-F373 PolarHBondContact O-N 2.88Å; S330-F373 WeakPolarHBondContact OG-CB 3.34Å; S330-F373 WeakPolarHBondContact OG-CG 3.19Å; F371-F373 PolarHBondContact O-N 2.98Å; F373-T375 VanDerWaalsContact C-N 3.3Å; F373-V503 HydrophobicContact CE2-CG1 4.16Å; F373-I514 HydrophobicContact CE2-CD1 4.04Å; F373-I514 HydrophobicContact CE2-CG2 3.82Å; F373-I514 HydrophobicContact CZ-CG2 3.73Å; F373-Y546 WeakPolarHBondContact CA-OH 3.37Å; F373-Y546 HydrophobicContact CD2-CE1 4.05Å; F373-Y546 AromaticContact CE2-CE1 3.91Å; F373-Y546 HydrophobicContact CE2-CE1 3.91Å; F373-Y546 HydrophobicContact CG-CE1 4.47Å; F373-Y546 HydrophobicContact CZ-CE1 4.22Å; F373-Y632 AromaticContact CE1-CD1 3.86Å; F373-Y632 HydrophobicContact CE1-CD1 3.86Å; F373-Y632 AromaticContact CE1-CD2 3.64Å; F373-Y632 HydrophobicContact CE1-CD2 3.64Å; F373-Y632 HydrophobicContact CE1-CE1 4.47Å; F373-Y632 HydrophobicContact CE1-CE2 4.27Å; F373-Y632 AromaticContact CE1-CG 3.4Å; F373-Y632 HydrophobicContact CE1-CG 3.4Å; F373-Y632 AromaticContact CZ-CD1 3.73Å; F373-Y632 HydrophobicContact CZ-CD1 3.73Å; F373-Y632 HydrophobicContact CZ-CD2 4.29Å; F373-Y632 HydrophobicContact CZ-CE1 4.18Å; F373-Y632 AromaticContact CZ-CG 3.79Å; F373-Y632 HydrophobicContact CZ-CG 3.79Å
374	A	87.9	Confident	91.6	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.008	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	22.4	-173	0	0	0	0	0	115.4	Y546 Y632 A791	A374-Y546 VanDerWaalsContact N-CE1 3.33Å; A374-Y546 PolarHBondContact N-OH 2.92Å; A374-Y632 HydrophobicContact CB-CD2 3.92Å; A374-Y632 HydrophobicContact CB-CE2 3.82Å; A374-A791 HydrophobicContact CB-CB 4Å
375	T	89.1	Confident	91.9	Very high	6 Å²	6	38.8 Å²	38.8	4%	0.037	19%	0.19	C	C	.	.			trans	-103.2	109.6	171.1	-61.9	0	0	0	0	110.6	Q372 F373 Y377 Y546 D790 Y802	Q372-T375 WeakPolarHBondContact CB-OG1 3.33Å; Q372-T375 WeakPolarHBondContact O-CB 3.2Å; Q372-T375 PolarHBondContact O-N 3.02Å; F373-T375 VanDerWaalsContact C-N 3.3Å; T375-Y377 PolarHBondContact O-N 3.08Å; T375-Y546 VanDerWaalsContact O-CE2 3.27Å; T375-Y546 WeakPolarHBondContact O-CE2 3.22Å; T375-D790 WeakPolarHBondContact CA-OD1 3.2Å; T375-D790 WeakPolarHBondContact CG2-OD1 3.43Å; T375-Y802 HydrophobicContact CG2-CD1 4.17Å; T375-Y802 HydrophobicContact CG2-CE1 4.48Å
376	T	90.8	Very high	92.2	Very high	31 Å²	31	37.7 Å²	37.7	19%	0.19	18%	0.179	C	C	.	.			trans	-71.3	97.4	178.1	-61.3	0	0	0	0	110.2	S804 P805	T376-S804 WeakPolarHBondContact O-CB 3.44Å; T376-S804 PolarHBondContact O-OG 3.47Å; T376-P805 HydrophobicContact CG2-CG 4.28Å
377	Y	93	Very high	92.4	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	135.1	-174.8	-170.4	-93.8	0	0	0	111.7	R366 A369 A370 T375 Q379 F542 S543 V544 Y802	R366-Y377 WeakPolarHBondContact O-CE2 3.06Å; R366-Y377 PolarHBondContact O-OH 3.38Å; A369-Y377 HydrophobicContact CB-CD2 4.39Å; A369-Y377 HydrophobicContact CB-CE2 4.43Å; A370-Y377 HydrophobicContact CB-CD1 3.64Å; A370-Y377 HydrophobicContact CB-CD2 3.92Å; A370-Y377 HydrophobicContact CB-CE1 3.91Å; A370-Y377 HydrophobicContact CB-CE2 4.17Å; A370-Y377 HydrophobicContact CB-CG 3.63Å; T375-Y377 PolarHBondContact O-N 3.08Å; Y377-Q379 HydrophobicContact CE1-CB 3.55Å; Y377-Q379 PolarHBondContact OH-OE1 2.7Å; Y377-F542 AromaticContact CD1-CD1 3.74Å; Y377-F542 HydrophobicContact CD1-CD1 3.74Å; Y377-F542 AromaticContact CD1-CE1 3.86Å; Y377-F542 HydrophobicContact CD1-CE1 3.86Å; Y377-F542 AromaticContact CE1-CD1 3.62Å; Y377-F542 HydrophobicContact CE1-CD1 3.62Å; Y377-F542 AromaticContact CE1-CE1 3.97Å; Y377-F542 HydrophobicContact CE1-CE1 3.97Å; Y377-S543 CarbonylContact O-C 3.56Å; Y377-S543 WeakPolarHBondContact O-CA 3.46Å; Y377-S543 VanDerWaalsContact O-CB 3.27Å; Y377-S543 WeakPolarHBondContact O-CB 3.39Å; Y377-V544 PolarHBondContact N-O 3.05Å; Y377-V544 PolarHBondContact O-N 3.38Å; Y377-Y802 AromaticContact CD2-CD1 3.66Å; Y377-Y802 HydrophobicContact CD2-CD1 3.66Å; Y377-Y802 AromaticContact CD2-CD2 3.88Å; Y377-Y802 HydrophobicContact CD2-CD2 3.88Å; Y377-Y802 AromaticContact CD2-CE1 3.59Å; Y377-Y802 HydrophobicContact CD2-CE1 3.59Å; Y377-Y802 AromaticContact CD2-CE2 3.81Å; Y377-Y802 HydrophobicContact CD2-CE2 3.81Å; Y377-Y802 AromaticContact CD2-CG 3.81Å; Y377-Y802 HydrophobicContact CD2-CG 3.81Å; Y377-Y802 AromaticContact CD2-CZ 3.69Å; Y377-Y802 HydrophobicContact CE2-CD1 4.09Å; Y377-Y802 AromaticContact CE2-CD2 3.5Å; Y377-Y802 HydrophobicContact CE2-CD2 3.5Å; Y377-Y802 HydrophobicContact CE2-CE1 4.24Å; Y377-Y802 AromaticContact CE2-CE2 3.68Å; Y377-Y802 HydrophobicContact CE2-CE2 3.68Å; Y377-Y802 AromaticContact CE2-CG 3.73Å; Y377-Y802 HydrophobicContact CE2-CG 3.73Å; Y377-Y802 HydrophobicContact CG-CE1 4.29Å
378	R	94	Very high	92.5	Very high	161 Å²	161	34.8 Å²	34.8	61%	0.608	17%	0.17	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-147	124.9	170.2	-174	174.6	179.4	170.6	1	109.4	T541 Y802	R378-T541 HydrophobicContact CG-CG2 4.38Å; R378-Y802 PolarHBondContact N-OH 3.35Å; R378-Y802 WeakPolarHBondContact O-CE2 3.17Å; R378-Y802 PolarHBondContact O-OH 3.44Å
379	Q	93	Very high	92.7	Very high	17 Å²	17	31.7 Å²	31.7	8%	0.079	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.1	174.9	-173.2	-174.2	27.1	0	0	108.4	C360 Y377 T541 F542	C360-Q379 HydrophobicContact CB-CG 3.86Å; C360-Q379 VanDerWaalsContact CB-NE2 3.32Å; C360-Q379 PolarHBondContact O-NE2 2.92Å; Y377-Q379 HydrophobicContact CE1-CB 3.55Å; Y377-Q379 PolarHBondContact OH-OE1 2.7Å; Q379-T541 WeakPolarHBondContact O-CA 3.39Å; Q379-F542 PolarHBondContact N-O 2.81Å; Q379-F542 PolarHBondContact O-N 3.21Å
380	T	94.2	Very high	92.7	Very high	64 Å²	64	34.8 Å²	34.8	39%	0.393	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.1	173.6	-59.5	0	0	0	0	108	Q539 I540 T541	T380-Q539 HydrophobicContact CG2-CB 4.41Å; T380-I540 VanDerWaalsContact CA-O 3.3Å; T380-I540 WeakPolarHBondContact CA-O 3.27Å; T380-T541 PolarHBondContact OG1-OG1 3.42Å
381	C	94.5	Very high	92.5	Very high	32 Å²	32	36.8 Å²	36.8	22%	0.216	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	160.6	177.6	71.6	0	0	0	0	111	C360 Q539 I540	C360-C381 WeakPolarHBondContact CA-SG 3.46Å; C360-C381 HydrophobicContact CB-CB 3.78Å; C360-C381 WeakPolarHBondContact CB-SG 3.43Å; C360-C381 WeakPolarHBondContact SG-CB 3.18Å; C360-C381 PolarHBondContact SG-N 2.65Å; C360-C381 VanDerWaalsContact SG-N 3.44Å; C360-C381 CovalentContact SG-SG 2.03Å; C360-C381 PolarHBondContact SG-SG 2.85Å; C381-Q539 WeakPolarHBondContact O-CA 3.38Å; C381-I540 PolarHBondContact N-O 3.09Å; C381-I540 PolarHBondContact O-N 3.37Å
382	E	94.5	Very high	92.2	Very high	117 Å²	117	45.2 Å²	45.2	55%	0.547	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	123.2	171.6	-70.6	-174.9	174.6	0	0	110.2	Q537 V538 Q539	E382-Q537 HydrophobicContact CB-CB 4.41Å; E382-V538 CarbonylContact C-O 3.51Å; E382-V538 VanDerWaalsContact CA-O 3.27Å; E382-V538 WeakPolarHBondContact CA-O 3.09Å; E382-Q539 HydrophobicContact CG-CG 3.63Å; E382-Q539 PolarHBondContact OE1-NE2 3.07Å
383	L	93.7	Very high	92.2	Very high	20 Å²	20	46.2 Å²	46.2	11%	0.105	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	142.1	174.7	-62.3	-172.5	0	0	0	110.7	L359 V385 Q537 V538 I540	L359-L383 HydrophobicContact CB-CD1 3.94Å; L383-V385 PolarHBondContact O-N 2.88Å; L383-Q537 WeakPolarHBondContact O-CA 3.46Å; L383-Q537 PolarHBondContact O-OE1 2.94Å; L383-Q537 VanDerWaalsContact O-OE1 3.07Å; L383-V538 PolarHBondContact N-O 3.11Å; L383-V538 PolarHBondContact O-N 3.14Å; L383-I540 HydrophobicContact CB-CD1 4.18Å; L383-I540 HydrophobicContact CD1-CD1 3.37Å; L383-I540 HydrophobicContact CG-CD1 3.87Å
384	N	94.5	Very high	92.3	Very high	41 Å²	41	47.4 Å²	47.4	22%	0.219	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	123.4	171.3	-179.6	23	0	0	0	108.9	D386 D387 K536 Q537	N384-D386 PolarHBondContact O-N 3.5Å; N384-D387 VanDerWaalsContact O-CB 3.31Å; N384-D387 WeakPolarHBondContact O-CB 3.49Å; N384-D387 PolarHBondContact O-N 3.18Å; N384-D387 VanDerWaalsContact O-N 3.11Å; N384-K536 PolarHBondContact OD1-O 3.17Å; N384-Q537 VanDerWaalsContact N-OE1 3.07Å
385	V	94.3	Very high	92.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-35.1	-175.6	171.1	0	0	0	0	111.7	L383 D387 L388 F389 F526 D531 K536 V538	L383-V385 PolarHBondContact O-N 2.88Å; V385-D387 PolarHBondContact O-N 3.25Å; V385-L388 WeakPolarHBondContact O-CB 3.34Å; V385-L388 PolarHBondContact O-N 3.07Å; V385-F389 HydrophobicContact CG1-CD2 4.38Å; V385-F389 HydrophobicContact CG1-CE2 3.79Å; V385-F389 WeakPolarHBondContact O-CD2 3.28Å; V385-F526 HydrophobicContact CG1-CB 4.31Å; V385-F526 HydrophobicContact CG1-CD1 3.91Å; V385-F526 HydrophobicContact CG1-CD2 3.82Å; V385-F526 HydrophobicContact CG1-CE1 4.16Å; V385-F526 HydrophobicContact CG1-CE2 4.05Å; V385-F526 HydrophobicContact CG1-CG 3.74Å; V385-F526 HydrophobicContact CG1-CZ 4.22Å; V385-F526 HydrophobicContact CG2-CD1 4.35Å; V385-F526 HydrophobicContact CG2-CE1 3.76Å; V385-F526 HydrophobicContact CG2-CE2 3.94Å; V385-F526 HydrophobicContact CG2-CZ 3.53Å; V385-D531 HydrophobicContact CG1-CB 3.97Å; V385-K536 HydrophobicContact CB-CB 4.33Å; V385-K536 WeakPolarHBondContact CB-O 3.39Å; V385-K536 HydrophobicContact CG2-CB 4.1Å; V385-K536 HydrophobicContact CG2-CD 4.41Å; V385-K536 HydrophobicContact CG2-CG 4.05Å; V385-K536 VanDerWaalsContact CG2-O 3.26Å; V385-K536 WeakPolarHBondContact CG2-O 3.08Å; V385-K536 PolarHBondContact N-O 2.05Å; V385-V538 HydrophobicContact CG2-CB 4.11Å; V385-V538 HydrophobicContact CG2-CG1 3.99Å
386	D	93.6	Very high	92.9	Very high	36 Å²	36	51.7 Å²	51.7	19%	0.193	26%	0.257	C	S	.	.	H	α-helix	trans	-59.7	-31.1	179.1	-64	-30.8	0	0	0	112.5	N384 L388 F389 Y532 G533	N384-D386 PolarHBondContact O-N 3.5Å; D386-L388 VanDerWaalsContact C-N 3.26Å; D386-L388 PolarHBondContact O-N 3.08Å; D386-F389 PolarHBondContact O-N 3.27Å; D386-Y532 WeakPolarHBondContact OD1-CA 3.47Å; D386-G533 PolarHBondContact OD1-N 2.85Å
387	D	93.2	Very high	93.1	Very high	39 Å²	39	51.1 Å²	51.1	21%	0.209	25%	0.253	C	S	.	.	H	α-helix	trans	-64.5	-32.1	177.6	-66.1	-34.3	0	0	0	111.9	N384 V385 F389 D390 K393 Y394	N384-D387 VanDerWaalsContact O-CB 3.31Å; N384-D387 WeakPolarHBondContact O-CB 3.49Å; N384-D387 PolarHBondContact O-N 3.18Å; N384-D387 VanDerWaalsContact O-N 3.11Å; V385-D387 PolarHBondContact O-N 3.25Å; D387-F389 VanDerWaalsContact C-N 3.25Å; D387-F389 PolarHBondContact O-N 3.44Å; D387-D390 WeakPolarHBondContact O-CB 3.15Å; D387-D390 PolarHBondContact O-N 3.04Å; D387-D390 VanDerWaalsContact O-N 3.1Å; D387-K393 HydrophobicContact CB-CD 3.85Å; D387-K393 VanDerWaalsContact CG-CE 3.46Å; D387-K393 IonicContact OD1-NZ 3.63Å; D387-K393 PolarHBondContact OD1-NZ 3.39Å; D387-K393 WeakPolarHBondContact OD2-CE 3.37Å; D387-K393 IonicContact OD2-NZ 2.82Å; D387-K393 PolarHBondContact OD2-NZ 3.34Å; D387-Y394 HydrophobicContact CB-CD2 4.46Å; D387-Y394 HydrophobicContact CB-CE2 3.91Å; D387-Y394 WeakPolarHBondContact O-CD2 3.39Å
388	L	94.3	Very high	93.3	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-72.9	-20.3	-179.2	-60	173.1	0	0	0	112.3	V385 D386 D390 Y394 V476 N478 V493 Y495 F526 V538	V385-L388 WeakPolarHBondContact O-CB 3.34Å; V385-L388 PolarHBondContact O-N 3.07Å; D386-L388 VanDerWaalsContact C-N 3.26Å; D386-L388 PolarHBondContact O-N 3.08Å; L388-D390 VanDerWaalsContact C-N 3.28Å; L388-Y394 HydrophobicContact CD2-CD2 3.89Å; L388-Y394 HydrophobicContact CD2-CE2 3.89Å; L388-Y394 HydrophobicContact CD2-CG 4.27Å; L388-V476 HydrophobicContact CB-CG1 4.35Å; L388-V476 HydrophobicContact CD2-CG1 4.38Å; L388-V476 HydrophobicContact CD2-CG2 3.89Å; L388-N478 WeakPolarHBondContact O-CB 3.38Å; L388-N478 PolarHBondContact O-ND2 3.42Å; L388-V493 HydrophobicContact CB-CG1 4.22Å; L388-Y495 HydrophobicContact CD1-CD1 4.38Å; L388-Y495 HydrophobicContact CD1-CD2 4.39Å; L388-Y495 HydrophobicContact CD1-CG 4.18Å; L388-F526 HydrophobicContact CD1-CD2 4.04Å; L388-F526 HydrophobicContact CD1-CE2 3.57Å; L388-V538 HydrophobicContact CD1-CG1 4.47Å
389	F	94	Very high	93.5	Very high	10 Å²	10	44.4 Å²	44.4	4%	0.044	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-13.8	171.2	-71.8	-99.9	0	0	0	112.4	V385 D386 D387 N391 V489 P490 V493 F526 A528 Y532	V385-F389 HydrophobicContact CG1-CD2 4.38Å; V385-F389 HydrophobicContact CG1-CE2 3.79Å; V385-F389 WeakPolarHBondContact O-CD2 3.28Å; D386-F389 PolarHBondContact O-N 3.27Å; D387-F389 VanDerWaalsContact C-N 3.25Å; D387-F389 PolarHBondContact O-N 3.44Å; F389-N391 PolarHBondContact O-OD1 2.87Å; F389-V489 HydrophobicContact CD1-CG1 3.59Å; F389-V489 HydrophobicContact CE1-CG1 4.18Å; F389-V489 HydrophobicContact CG-CG1 4.41Å; F389-P490 HydrophobicContact CD1-CG 3.77Å; F389-P490 HydrophobicContact CE1-CG 4.33Å; F389-P490 WeakPolarHBondContact CE1-O 3.33Å; F389-V493 HydrophobicContact CD1-CG2 3.47Å; F389-V493 VanDerWaalsContact CD1-CG2 3.47Å; F389-V493 HydrophobicContact CD2-CG2 4.16Å; F389-V493 HydrophobicContact CE1-CB 4.4Å; F389-V493 HydrophobicContact CE1-CG2 3.48Å; F389-V493 VanDerWaalsContact CE1-CG2 3.48Å; F389-V493 HydrophobicContact CE2-CG2 4.17Å; F389-V493 HydrophobicContact CG-CG2 3.82Å; F389-V493 HydrophobicContact CZ-CB 4.33Å; F389-V493 HydrophobicContact CZ-CG2 3.85Å; F389-F526 HydrophobicContact CE2-CB 4.09Å; F389-F526 HydrophobicContact CZ-CB 4.03Å; F389-A528 HydrophobicContact CE1-CB 3.94Å; F389-Y532 HydrophobicContact CB-CD2 3.8Å; F389-Y532 HydrophobicContact CB-CE2 3.77Å; F389-Y532 AromaticContact CD1-CD2 3.91Å; F389-Y532 HydrophobicContact CD1-CD2 3.91Å; F389-Y532 HydrophobicContact CD1-CG 4.44Å; F389-Y532 AromaticContact CD2-CD2 3.7Å; F389-Y532 HydrophobicContact CD2-CD2 3.7Å; F389-Y532 HydrophobicContact CD2-CE2 4.49Å; F389-Y532 HydrophobicContact CE1-CD2 4.44Å; F389-Y532 HydrophobicContact CE2-CD2 4.25Å; F389-Y532 AromaticContact CG-CD2 3.52Å; F389-Y532 HydrophobicContact CG-CD2 3.52Å; F389-Y532 HydrophobicContact CG-CE2 4.04Å; F389-Y532 HydrophobicContact CG-CG 4.43Å
390	D	91.2	Very high	93.6	Very high	69 Å²	69	43.9 Å²	43.9	37%	0.369	23%	0.226	S	C	.	.			trans	-89.1	111.8	179.3	-175.2	-1.9	0	0	0	111.8	D387 L388 E392 K393 Y394	D387-D390 WeakPolarHBondContact O-CB 3.15Å; D387-D390 PolarHBondContact O-N 3.04Å; D387-D390 VanDerWaalsContact O-N 3.1Å; L388-D390 VanDerWaalsContact C-N 3.28Å; D390-E392 VanDerWaalsContact C-N 3.28Å; D390-E392 PolarHBondContact O-N 3.42Å; D390-E392 WeakPolarHBondContact OD1-CB 3.42Å; D390-E392 PolarHBondContact OD1-N 3.14Å; D390-K393 HydrophobicContact CB-CB 4.1Å; D390-K393 PolarHBondContact O-N 3.02Å; D390-Y394 PolarHBondContact O-N 2.99Å
391	N	88	Confident	93.7	Very high	42 Å²	42	40.9 Å²	40.9	23%	0.225	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-21.4	179.4	-65	27.3	0	0	0	113.4	F389 Y394 P395 N478 K482	F389-N391 PolarHBondContact O-OD1 2.87Å; N391-Y394 CarbonylContact O-C 3.37Å; N391-P395 VanDerWaalsContact O-CA 3.26Å; N391-P395 WeakPolarHBondContact O-CA 3.43Å; N391-N478 WeakPolarHBondContact CA-ND2 3.37Å; N391-N478 VanDerWaalsContact CG-CG 3.48Å; N391-N478 WeakPolarHBondContact OD1-CB 3.42Å; N391-N478 PolarHBondContact OD1-ND2 3.25Å; N391-N478 PolarHBondContact OD1-O 3.01Å; N391-N478 PolarHBondContact OD1-OD1 2.81Å; N391-K482 PolarHBondContact ND2-NZ 3.05Å
392	E	88.4	Confident	93.7	Very high	179 Å²	179	39.6 Å²	39.6	84%	0.836	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-39.7	176.3	-64.6	-173.6	179.8	0	0	110.7	D390	D390-E392 VanDerWaalsContact C-N 3.28Å; D390-E392 PolarHBondContact O-N 3.42Å; D390-E392 WeakPolarHBondContact OD1-CB 3.42Å; D390-E392 PolarHBondContact OD1-N 3.14Å
393	K	90	Very high	93.7	Very high	104 Å²	104	34 Å²	34	45%	0.452	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-41.7	178.8	-169.9	162.3	173.5	175.1	0	112.7	D387 D390	D387-K393 HydrophobicContact CB-CD 3.85Å; D387-K393 VanDerWaalsContact CG-CE 3.46Å; D387-K393 IonicContact OD1-NZ 3.63Å; D387-K393 PolarHBondContact OD1-NZ 3.39Å; D387-K393 WeakPolarHBondContact OD2-CE 3.37Å; D387-K393 IonicContact OD2-NZ 2.82Å; D387-K393 PolarHBondContact OD2-NZ 3.34Å; D390-K393 HydrophobicContact CB-CB 4.1Å; D390-K393 PolarHBondContact O-N 3.02Å
394	Y	92.1	Very high	93.7	Very high	24 Å²	24	35 Å²	35	9%	0.094	18%	0.175	C	C	.	.	S	Bend	trans	-124.5	85.3	174.4	-66.9	-78.5	0	0	0	110.5	L359 D387 L388 D390 N391 V476 N478	L359-Y394 HydrophobicContact CD2-CD1 3.92Å; L359-Y394 HydrophobicContact CD2-CE1 3.84Å; D387-Y394 HydrophobicContact CB-CD2 4.46Å; D387-Y394 HydrophobicContact CB-CE2 3.91Å; D387-Y394 WeakPolarHBondContact O-CD2 3.39Å; L388-Y394 HydrophobicContact CD2-CD2 3.89Å; L388-Y394 HydrophobicContact CD2-CE2 3.89Å; L388-Y394 HydrophobicContact CD2-CG 4.27Å; D390-Y394 PolarHBondContact O-N 2.99Å; N391-Y394 CarbonylContact O-C 3.37Å; Y394-V476 HydrophobicContact CD1-CG2 4.17Å; Y394-V476 HydrophobicContact CG-CG2 4.18Å; Y394-N478 PolarHBondContact O-ND2 3.38Å
395	P	93.4	Very high	93.4	Very high	79 Å²	79	33.5 Å²	33.5	51%	0.513	17%	0.166	S	C	.	.			trans	-68.1	138.7	178.1	27.5	-34.4	0	0	0	111.3	N391 V397	N391-P395 VanDerWaalsContact O-CA 3.26Å; N391-P395 WeakPolarHBondContact O-CA 3.43Å; P395-V397 HydrophobicContact CB-CG2 4.42Å; P395-V397 HydrophobicContact CG-CG2 4.48Å; P395-V397 PolarHBondContact O-N 2.94Å; P395-V397 VanDerWaalsContact O-N 3.09Å
396	L	95.2	Very high	93.1	Very high	18 Å²	18	39.5 Å²	39.5	9%	0.094	19%	0.19	C	C	.	.			trans	-70.7	105.1	173.4	175.1	58.7	0	0	0	110.1	L263 I341 F398 F474 V476 D477 F479	L263-L396 HydrophobicContact CD1-CD2 4.3Å; L263-L396 HydrophobicContact CD2-CD1 4.3Å; L263-L396 HydrophobicContact CD2-CD2 4.11Å; I341-L396 HydrophobicContact CB-CD2 4.43Å; I341-L396 HydrophobicContact CD1-CD2 3.76Å; I341-L396 HydrophobicContact CG1-CD2 4.03Å; L396-F398 HydrophobicContact CD1-CE1 4.46Å; L396-F398 HydrophobicContact CD1-CE2 4.04Å; L396-F398 HydrophobicContact CD1-CZ 3.9Å; L396-F398 HydrophobicContact CD2-CE2 4.18Å; L396-F398 HydrophobicContact CD2-CZ 4.08Å; L396-F398 HydrophobicContact CG-CE2 3.87Å; L396-F398 HydrophobicContact CG-CZ 4.06Å; L396-F474 HydrophobicContact CD1-CB 3.9Å; L396-F474 HydrophobicContact CD1-CD2 4.46Å; L396-F474 HydrophobicContact CD1-CG 4.26Å; L396-V476 WeakPolarHBondContact CD1-O 3.04Å; L396-D477 HydrophobicContact CD1-CB 4.43Å; L396-F479 HydrophobicContact CD2-CB 3.63Å; L396-F479 HydrophobicContact CD2-CG 4.49Å
397	V	95.9	Very high	92.6	Very high	19 Å²	19	39 Å²	39	12%	0.115	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	139.6	175.4	-176.4	0	0	0	0	108.7	A338 L346 P395 Y399	A338-V397 HydrophobicContact CB-CG1 4.1Å; L346-V397 HydrophobicContact CD1-CG1 4.17Å; P395-V397 HydrophobicContact CB-CG2 4.42Å; P395-V397 HydrophobicContact CG-CG2 4.48Å; P395-V397 PolarHBondContact O-N 2.94Å; P395-V397 VanDerWaalsContact O-N 3.09Å; V397-Y399 HydrophobicContact CB-CE1 4.39Å; V397-Y399 HydrophobicContact CB-CE2 4.14Å; V397-Y399 HydrophobicContact CG1-CD1 4.22Å; V397-Y399 HydrophobicContact CG1-CE1 3.55Å; V397-Y399 HydrophobicContact CG1-CE2 4.12Å; V397-Y399 VanDerWaalsContact CG1-CZ 3.49Å
398	F	97.5	Very high	92	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	141.9	176.5	-59.6	-95.8	0	0	0	110.2	N259 T262 L263 A338 F339 I341 L396 R472 L473 F474	N259-F398 HydrophobicContact CB-CD1 4.23Å; N259-F398 HydrophobicContact CB-CD2 4.03Å; N259-F398 HydrophobicContact CB-CE1 3.99Å; N259-F398 HydrophobicContact CB-CE2 3.81Å; N259-F398 HydrophobicContact CB-CG 4.25Å; N259-F398 HydrophobicContact CB-CZ 3.78Å; N259-F398 WeakPolarHBondContact O-CE1 3.29Å; T262-F398 HydrophobicContact CG2-CD1 4.12Å; T262-F398 HydrophobicContact CG2-CE1 4.29Å; L263-F398 HydrophobicContact CD1-CZ 3.93Å; L263-F398 HydrophobicContact CD2-CE1 4.06Å; L263-F398 HydrophobicContact CD2-CZ 3.89Å; L263-F398 HydrophobicContact CG-CE1 3.86Å; L263-F398 HydrophobicContact CG-CZ 3.65Å; A338-F398 CarbonylContact C-O 3.59Å; A338-F398 VanDerWaalsContact CA-O 3.31Å; A338-F398 WeakPolarHBondContact CA-O 3.39Å; F339-F398 HydrophobicContact CB-CB 4.29Å; F339-F398 PolarHBondContact N-O 3.31Å; F339-F398 PolarHBondContact O-N 3.44Å; I341-F398 HydrophobicContact CB-CE2 4.31Å; I341-F398 HydrophobicContact CG1-CE2 4.31Å; L396-F398 HydrophobicContact CD1-CE1 4.46Å; L396-F398 HydrophobicContact CD1-CE2 4.04Å; L396-F398 HydrophobicContact CD1-CZ 3.9Å; L396-F398 HydrophobicContact CD2-CE2 4.18Å; L396-F398 HydrophobicContact CD2-CZ 4.08Å; L396-F398 HydrophobicContact CG-CE2 3.87Å; L396-F398 HydrophobicContact CG-CZ 4.06Å; F398-R472 HydrophobicContact CB-CG 3.99Å; F398-R472 HydrophobicContact CD1-CG 4.26Å; F398-L473 CarbonylContact C-O 3.58Å; F398-L473 WeakPolarHBondContact CA-O 3.35Å; F398-F474 HydrophobicContact CD1-CB 4.22Å; F398-F474 HydrophobicContact CE1-CB 4.35Å; F398-F474 HydrophobicContact CE1-CD1 4.24Å
399	Y	97.1	Very high	91.3	Very high	23 Å²	23	47.1 Å²	47.1	9%	0.09	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	129.1	-177.5	-58.4	-70.1	0	0	0	111.2	L336 A337 A338 V397 R472 L473 M475	L336-Y399 HydrophobicContact CB-CD1 3.73Å; L336-Y399 HydrophobicContact CB-CG 4.31Å; L336-Y399 HydrophobicContact CD1-CD1 3.83Å; L336-Y399 HydrophobicContact CD1-CE1 4.21Å; L336-Y399 HydrophobicContact CD1-CG 4.08Å; L336-Y399 HydrophobicContact CG-CD1 4.38Å; A337-Y399 WeakPolarHBondContact O-CA 3.18Å; A338-Y399 HydrophobicContact CB-CD1 3.9Å; A338-Y399 HydrophobicContact CB-CE1 3.82Å; V397-Y399 HydrophobicContact CB-CE1 4.39Å; V397-Y399 HydrophobicContact CB-CE2 4.14Å; V397-Y399 HydrophobicContact CG1-CD1 4.22Å; V397-Y399 HydrophobicContact CG1-CE1 3.55Å; V397-Y399 HydrophobicContact CG1-CE2 4.12Å; V397-Y399 VanDerWaalsContact CG1-CZ 3.49Å; Y399-R472 WeakPolarHBondContact O-CA 3.49Å; Y399-L473 HydrophobicContact CD2-CD1 3.97Å; Y399-L473 HydrophobicContact CG-CD1 4.47Å; Y399-L473 PolarHBondContact N-O 2.99Å; Y399-L473 PolarHBondContact O-N 3.22Å; Y399-M475 HydrophobicContact CD2-CG 4.38Å; Y399-M475 HydrophobicContact CE2-CG 3.96Å
400	D	95.9	Very high	90.6	Very high	5 Å²	5	50 Å²	50	3%	0.027	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	113.4	161.5	-58.6	-17.6	0	0	0	108.4	L336 A337 Y402 R471 R472	L336-D400 WeakPolarHBondContact CA-O 3.33Å; A337-D400 HydrophobicContact CB-CB 4.19Å; A337-D400 PolarHBondContact N-O 2.89Å; A337-D400 PolarHBondContact O-N 2.88Å; D400-Y402 HydrophobicContact CB-CE2 3.74Å; D400-Y402 WeakPolarHBondContact O-CD2 3.41Å; D400-Y402 WeakPolarHBondContact O-CE2 3.38Å; D400-R471 WeakPolarHBondContact CA-O 3.34Å; D400-R472 WeakPolarHBondContact OD1-CA 3.35Å; D400-R472 WeakPolarHBondContact OD1-CB 3.36Å; D400-R472 VanDerWaalsContact OD1-CG 3.3Å; D400-R472 WeakPolarHBondContact OD1-CG 3.32Å; D400-R472 IonicContact OD1-CZ 2.78Å; D400-R472 IonicContact OD1-NE 2.75Å; D400-R472 PolarHBondContact OD1-NE 2.67Å; D400-R472 IonicContact OD1-NH2 2.9Å; D400-R472 PolarHBondContact OD1-NH2 3.36Å; D400-R472 IonicContact OD2-CZ 3.56Å; D400-R472 IonicContact OD2-NE 3.48Å; D400-R472 IonicContact OD2-NH2 3.33Å; D400-R472 PolarHBondContact OD2-NH2 3.2Å
401	P	96.2	Very high	90.2	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.013	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	140.5	-176.3	30.9	-28.2	0	0	0	112.4	Y335 L336 I418 I420 R471 I519	Y335-P401 CarbonylContact O-C 3.51Å; L336-P401 HydrophobicContact CD2-CB 3.74Å; P401-I418 HydrophobicContact CB-CB 4.06Å; P401-I418 HydrophobicContact CB-CD1 4.38Å; P401-I418 HydrophobicContact CB-CG2 4.49Å; P401-I418 HydrophobicContact CG-CB 4.07Å; P401-I418 HydrophobicContact CG-CG2 4.35Å; P401-I418 PolarHBondContact O-N 3.03Å; P401-I420 HydrophobicContact CG-CD1 3.94Å; P401-I420 HydrophobicContact CG-CG1 4.03Å; P401-R471 WeakPolarHBondContact CD-O 3.37Å; P401-I519 HydrophobicContact CB-CD1 3.65Å; P401-I519 HydrophobicContact CG-CD1 3.52Å
402	Y	94.8	Very high	90	Very high	5 Å²	5	53.9 Å²	53.9	2%	0.02	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	142.1	177.3	-58.8	-96.3	0	0	0	110.4	I20 L45 I334 Y335 A337 F348 D400 L415 I416 P417 R471	I20-Y402 HydrophobicContact CD1-CE1 3.82Å; L45-Y402 HydrophobicContact CD1-CE1 4.15Å; L45-Y402 HydrophobicContact CD1-CE2 4.09Å; L45-Y402 WeakPolarHBondContact CD1-OH 3.31Å; I334-Y402 CarbonylContact C-O 3.56Å; I334-Y402 WeakPolarHBondContact CA-O 3.29Å; Y335-Y402 PolarHBondContact N-O 3.01Å; Y335-Y402 PolarHBondContact O-N 2.73Å; A337-Y402 HydrophobicContact CB-CE2 3.85Å; F348-Y402 HydrophobicContact CE1-CD2 4.36Å; F348-Y402 HydrophobicContact CE1-CE2 4.41Å; D400-Y402 HydrophobicContact CB-CE2 3.74Å; D400-Y402 WeakPolarHBondContact O-CD2 3.41Å; D400-Y402 WeakPolarHBondContact O-CE2 3.38Å; Y402-L415 HydrophobicContact CD1-CB 4.05Å; Y402-L415 HydrophobicContact CG-CB 4.25Å; Y402-L415 HydrophobicContact CG-CD1 4.31Å; Y402-I416 CarbonylContact C-O 3.56Å; Y402-I416 WeakPolarHBondContact CA-O 3.36Å; Y402-P417 HydrophobicContact CD1-CB 4.04Å; Y402-P417 HydrophobicContact CE1-CB 4Å; Y402-R471 PolarHBondContact OH-NH2 3.27Å
403	I	94.4	Very high	90	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.8	167.2	-172.7	165.3	0	0	0	109.2	L322 L332 L415 I416 I418 I514 P517	L322-I403 HydrophobicContact CD2-CD1 3.77Å; L332-I403 HydrophobicContact CD1-CD1 3.53Å; L332-I403 HydrophobicContact CD1-CG1 4.42Å; I403-L415 WeakPolarHBondContact O-CA 3.04Å; I403-I416 HydrophobicContact CG2-CB 3.7Å; I403-I416 HydrophobicContact CG2-CG2 4.09Å; I403-I416 PolarHBondContact N-O 3.39Å; I403-I416 PolarHBondContact O-N 2.9Å; I403-I418 HydrophobicContact CB-CD1 4.08Å; I403-I418 HydrophobicContact CB-CG1 4.16Å; I403-I418 HydrophobicContact CG2-CG1 4.42Å; I403-I514 HydrophobicContact CD1-CD1 4.28Å; I403-P517 HydrophobicContact CD1-CG 3.94Å
404	Y	92.6	Very high	89.9	Confident	40 Å²	40	42.8 Å²	42.8	16%	0.157	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	141.3	176.7	168.4	-86.5	0	0	0	111.1	L22 Q333 Y335 S413 Q414 L415	L22-Y404 HydrophobicContact CD2-CD2 3.91Å; L22-Y404 HydrophobicContact CD2-CE2 3.78Å; Q333-Y404 HydrophobicContact CB-CD1 4.01Å; Q333-Y404 HydrophobicContact CB-CG 4.38Å; Q333-Y404 HydrophobicContact CG-CD1 4.49Å; Q333-Y404 PolarHBondContact O-N 2.97Å; Q333-Y404 VanDerWaalsContact OE1-CE1 3.22Å; Y335-Y404 HydrophobicContact CD2-CD2 4.49Å; Y335-Y404 HydrophobicContact CD2-CG 4.27Å; Y335-Y404 AromaticContact CE2-CD2 4Å; Y335-Y404 HydrophobicContact CE2-CD2 4Å; Y335-Y404 AromaticContact CE2-CG 3.82Å; Y335-Y404 HydrophobicContact CE2-CG 3.82Å; Y404-S413 PolarHBondContact OH-OG 3.44Å; Y404-Q414 WeakPolarHBondContact CA-O 3.3Å; Y404-L415 HydrophobicContact CD2-CD2 4.24Å
405	F	89.8	Confident	89.8	Confident	9 Å²	9	41.7 Å²	41.7	4%	0.039	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	158.6	165.4	70.8	-68.8	0	0	0	111.4	L322 T324 D407 Q414 I416	L322-F405 HydrophobicContact CD1-CB 3.77Å; L322-F405 HydrophobicContact CD1-CD1 3.91Å; L322-F405 HydrophobicContact CD1-CD2 4.35Å; L322-F405 HydrophobicContact CD1-CG 3.75Å; T324-F405 WeakPolarHBondContact OG1-CB 3.45Å; F405-D407 HydrophobicContact CD2-CB 4.36Å; F405-D407 HydrophobicContact CE2-CB 3.82Å; F405-Q414 HydrophobicContact CD1-CB 3.99Å; F405-Q414 HydrophobicContact CE1-CB 3.41Å; F405-Q414 VanDerWaalsContact CE1-CB 3.41Å; F405-Q414 HydrophobicContact CE2-CB 4.31Å; F405-Q414 HydrophobicContact CZ-CB 3.63Å; F405-Q414 HydrophobicContact CZ-CG 4.38Å; F405-Q414 PolarHBondContact N-O 2.86Å; F405-Q414 PolarHBondContact O-N 3.02Å; F405-I416 HydrophobicContact CD1-CD1 3.92Å; F405-I416 HydrophobicContact CD1-CG1 4.37Å; F405-I416 HydrophobicContact CE1-CD1 3.3Å; F405-I416 HydrophobicContact CE1-CG1 3.64Å; F405-I416 HydrophobicContact CZ-CD1 3.84Å; F405-I416 HydrophobicContact CZ-CG1 4.41Å
406	Y	87.4	Confident	89.7	Confident	126 Å²	126	38.1 Å²	38.1	49%	0.494	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	115.6	171	-174.7	-100.9	0	0	0	109	S408 Q411	Y406-S408 PolarHBondContact O-N 2.89Å; Y406-Q411 WeakPolarHBondContact OH-CA 3.35Å; Y406-Q411 WeakPolarHBondContact OH-CB 3.33Å; Y406-Q411 PolarHBondContact OH-O 3.06Å
407	D	82.8	Confident	89.6	Confident	25 Å²	25	37.7 Å²	37.7	13%	0.134	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	108.4	176.3	178.6	7.3	0	0	0	109.3	F405 T409 T410 Q411 T412 Q414	F405-D407 HydrophobicContact CD2-CB 4.36Å; F405-D407 HydrophobicContact CE2-CB 3.82Å; D407-T409 VanDerWaalsContact CG-OG1 3.29Å; D407-T409 PolarHBondContact O-N 2.92Å; D407-T409 WeakPolarHBondContact OD1-CB 3.34Å; D407-T409 PolarHBondContact OD1-N 2.88Å; D407-T409 PolarHBondContact OD1-OG1 2.84Å; D407-T409 PolarHBondContact OD2-OG1 2.85Å; D407-T410 WeakPolarHBondContact CB-OG1 3.5Å; D407-T410 WeakPolarHBondContact OD2-CB 3.45Å; D407-T410 VanDerWaalsContact OD2-CG2 3.27Å; D407-T410 WeakPolarHBondContact OD2-CG2 3.28Å; D407-T410 PolarHBondContact OD2-OG1 3.15Å; D407-Q411 WeakPolarHBondContact O-CA 3.34Å; D407-Q411 PolarHBondContact O-N 2.96Å; D407-T412 PolarHBondContact N-O 2.67Å; D407-T412 PolarHBondContact O-N 2.84Å; D407-Q414 HydrophobicContact CB-CG 4.34Å; D407-Q414 PolarHBondContact OD2-NE2 2.93Å; D407-Q414 VanDerWaalsContact OD2-NE2 3.12Å
408	S	80.5	Confident	89.6	Confident	93 Å²	93	36.9 Å²	36.9	65%	0.65	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-25.3	179	56.6	0	0	0	0	113.4	Y406	Y406-S408 PolarHBondContact O-N 2.89Å
409	T	80.2	Confident	89.5	Confident	117 Å²	117	37 Å²	37	72%	0.718	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-41.5	-178	64.9	0	0	0	0	111.8	D407	D407-T409 VanDerWaalsContact CG-OG1 3.29Å; D407-T409 PolarHBondContact O-N 2.92Å; D407-T409 WeakPolarHBondContact OD1-CB 3.34Å; D407-T409 PolarHBondContact OD1-N 2.88Å; D407-T409 PolarHBondContact OD1-OG1 2.84Å; D407-T409 PolarHBondContact OD2-OG1 2.85Å
410	T	80	Confident	89.6	Confident	72 Å²	72	35.9 Å²	35.9	44%	0.442	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-9.5	176.7	57.9	0	0	0	0	112.9	D407 T412 Q414	D407-T410 WeakPolarHBondContact CB-OG1 3.5Å; D407-T410 WeakPolarHBondContact OD2-CB 3.45Å; D407-T410 VanDerWaalsContact OD2-CG2 3.27Å; D407-T410 WeakPolarHBondContact OD2-CG2 3.28Å; D407-T410 PolarHBondContact OD2-OG1 3.15Å; T410-T412 WeakPolarHBondContact O-CG2 3.35Å; T410-T412 PolarHBondContact O-N 2.92Å; T410-T412 PolarHBondContact OG1-OG1 3.2Å; T410-Q414 PolarHBondContact OG1-NE2 2.94Å; T410-Q414 VanDerWaalsContact OG1-NE2 3.08Å
411	Q	82.6	Confident	89.6	Confident	149 Å²	149	36.8 Å²	36.8	70%	0.696	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	30.3	-171.7	-60.3	-178.2	15.6	0	0	113.2	Y406 D407	Y406-Q411 WeakPolarHBondContact OH-CA 3.35Å; Y406-Q411 WeakPolarHBondContact OH-CB 3.33Å; Y406-Q411 PolarHBondContact OH-O 3.06Å; D407-Q411 WeakPolarHBondContact O-CA 3.34Å; D407-Q411 PolarHBondContact O-N 2.96Å
412	T	83.6	Confident	89.7	Confident	42 Å²	42	36.9 Å²	36.9	26%	0.258	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	145.1	-177.1	60.1	0	0	0	0	112.3	D407 T410 Q414	D407-T412 PolarHBondContact N-O 2.67Å; D407-T412 PolarHBondContact O-N 2.84Å; T410-T412 WeakPolarHBondContact O-CG2 3.35Å; T410-T412 PolarHBondContact O-N 2.92Å; T410-T412 PolarHBondContact OG1-OG1 3.2Å; T412-Q414 PolarHBondContact OG1-NE2 2.91Å
413	S	87.2	Confident	89.8	Confident	40 Å²	40	37.8 Å²	37.8	28%	0.28	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	121.4	165.5	-74.4	0	0	0	0	109.6	N21 L22 Y404	N21-S413 WeakPolarHBondContact CA-O 3.42Å; L22-S413 PolarHBondContact N-O 2.03Å; Y404-S413 PolarHBondContact OH-OG 3.44Å
414	Q	88	Confident	89.8	Confident	11 Å²	11	38 Å²	38	5%	0.051	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	150.6	-174.3	-72.1	-174.6	13.6	0	0	112.1	S19 I20 Y404 F405 D407 T410 T412	S19-Q414 PolarHBondContact OG-OE1 2.97Å; I20-Q414 CarbonylContact O-C 3.38Å; I20-Q414 WeakPolarHBondContact O-CA 3.4Å; Y404-Q414 WeakPolarHBondContact CA-O 3.3Å; F405-Q414 HydrophobicContact CD1-CB 3.99Å; F405-Q414 HydrophobicContact CE1-CB 3.41Å; F405-Q414 VanDerWaalsContact CE1-CB 3.41Å; F405-Q414 HydrophobicContact CE2-CB 4.31Å; F405-Q414 HydrophobicContact CZ-CB 3.63Å; F405-Q414 HydrophobicContact CZ-CG 4.38Å; F405-Q414 PolarHBondContact N-O 2.86Å; F405-Q414 PolarHBondContact O-N 3.02Å; D407-Q414 HydrophobicContact CB-CG 4.34Å; D407-Q414 PolarHBondContact OD2-NE2 2.93Å; D407-Q414 VanDerWaalsContact OD2-NE2 3.12Å; T410-Q414 PolarHBondContact OG1-NE2 2.94Å; T410-Q414 VanDerWaalsContact OG1-NE2 3.08Å; T412-Q414 PolarHBondContact OG1-NE2 2.91Å
415	L	90.5	Very high	89.9	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.7	176.2	-67.3	-178.5	0	0	0	109.2	I20 L22 Y335 F348 Y402 I403 Y404	I20-L415 HydrophobicContact CB-CB 4.43Å; I20-L415 PolarHBondContact N-O 3Å; I20-L415 PolarHBondContact O-N 3.07Å; L22-L415 HydrophobicContact CB-CG 4.19Å; L22-L415 HydrophobicContact CD1-CD1 3.7Å; L22-L415 HydrophobicContact CD1-CD2 4.25Å; L22-L415 HydrophobicContact CD1-CG 4.07Å; Y335-L415 HydrophobicContact CD2-CD2 4.21Å; Y335-L415 HydrophobicContact CG-CD2 4.42Å; F348-L415 HydrophobicContact CD1-CD1 4.34Å; F348-L415 HydrophobicContact CE1-CD1 3.6Å; F348-L415 HydrophobicContact CZ-CD1 3.77Å; Y402-L415 HydrophobicContact CD1-CB 4.05Å; Y402-L415 HydrophobicContact CG-CB 4.25Å; Y402-L415 HydrophobicContact CG-CD1 4.31Å; I403-L415 WeakPolarHBondContact O-CA 3.04Å; Y404-L415 HydrophobicContact CD2-CD2 4.24Å
416	I	91.6	Very high	90	Very high	4 Å²	4	36 Å²	36	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130.5	168.6	-73.8	159.9	0	0	0	108	K321 L322 Y402 I403 F405 P516	K321-I416 HydrophobicContact CB-CD1 4.34Å; L322-I416 HydrophobicContact CB-CD1 3.94Å; L322-I416 HydrophobicContact CD1-CD1 4.32Å; Y402-I416 CarbonylContact C-O 3.56Å; Y402-I416 WeakPolarHBondContact CA-O 3.36Å; I403-I416 HydrophobicContact CG2-CB 3.7Å; I403-I416 HydrophobicContact CG2-CG2 4.09Å; I403-I416 PolarHBondContact N-O 3.39Å; I403-I416 PolarHBondContact O-N 2.9Å; F405-I416 HydrophobicContact CD1-CD1 3.92Å; F405-I416 HydrophobicContact CD1-CG1 4.37Å; F405-I416 HydrophobicContact CE1-CD1 3.3Å; F405-I416 HydrophobicContact CE1-CG1 3.64Å; F405-I416 HydrophobicContact CZ-CD1 3.84Å; F405-I416 HydrophobicContact CZ-CG1 4.41Å; I416-P516 HydrophobicContact CG2-CB 4.2Å; I416-P516 HydrophobicContact CG2-CG 4.04Å
417	P	92.7	Very high	90.1	Very high	10 Å²	10	31.5 Å²	31.5	7%	0.065	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	137.6	178.3	31.4	-38.6	0	0	0	111.2	W305 Y308 Y402 P419	W305-P417 HydrophobicContact CH2-CG 4.23Å; W305-P417 HydrophobicContact CZ3-CB 4.37Å; W305-P417 HydrophobicContact CZ3-CG 3.89Å; Y308-P417 WeakPolarHBondContact OH-CB 3.48Å; Y402-P417 HydrophobicContact CD1-CB 4.04Å; Y402-P417 HydrophobicContact CE1-CB 4Å; P417-P419 WeakPolarHBondContact O-CD 3.46Å
418	I	95.6	Very high	90.3	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-91.3	117.6	176	-67.2	177.4	0	0	0	107.8	I334 P401 I403 P517 I519	I334-I418 HydrophobicContact CD1-CD1 3.86Å; I334-I418 HydrophobicContact CG1-CD1 3.96Å; I334-I418 HydrophobicContact CG2-CD1 3.89Å; P401-I418 HydrophobicContact CB-CB 4.06Å; P401-I418 HydrophobicContact CB-CD1 4.38Å; P401-I418 HydrophobicContact CB-CG2 4.49Å; P401-I418 HydrophobicContact CG-CB 4.07Å; P401-I418 HydrophobicContact CG-CG2 4.35Å; P401-I418 PolarHBondContact O-N 3.03Å; I403-I418 HydrophobicContact CB-CD1 4.08Å; I403-I418 HydrophobicContact CB-CG1 4.16Å; I403-I418 HydrophobicContact CG2-CG1 4.42Å; I418-P517 WeakPolarHBondContact CG2-O 3.41Å; I418-I519 HydrophobicContact CB-CD1 4.47Å; I418-I519 HydrophobicContact CG2-CB 4.39Å; I418-I519 HydrophobicContact CG2-CD1 3.56Å; I418-I519 HydrophobicContact CG2-CG1 3.69Å
419	P	96.7	Very high	90.5	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.013	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-65.6	142.1	176.5	-17.5	30.5	0	0	0	112	Y308 V316 L317 P417 L469 P517 I518 I519	Y308-P419 HydrophobicContact CD2-CB 4.42Å; Y308-P419 HydrophobicContact CE1-CG 4.43Å; Y308-P419 HydrophobicContact CE2-CB 3.77Å; Y308-P419 HydrophobicContact CE2-CG 4.17Å; V316-P419 HydrophobicContact CG1-CB 4.22Å; V316-P419 HydrophobicContact CG1-CG 3.56Å; L317-P419 HydrophobicContact CD2-CB 4.46Å; L317-P419 HydrophobicContact CD2-CG 4.3Å; P417-P419 WeakPolarHBondContact O-CD 3.46Å; P419-L469 HydrophobicContact CB-CB 4.42Å; P419-L469 HydrophobicContact CB-CD1 4Å; P419-P517 WeakPolarHBondContact CD-O 3.36Å; P419-I518 WeakPolarHBondContact O-CG1 3.5Å; P419-I519 PolarHBondContact O-N 3.1Å
420	I	97.9	Very high	90.9	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	120.7	177.5	-56.5	165.9	0	0	0	108.9	P401 N422 T470 R471 L473 I519 I521	P401-I420 HydrophobicContact CG-CD1 3.94Å; P401-I420 HydrophobicContact CG-CG1 4.03Å; I420-N422 HydrophobicContact CG2-CB 4.3Å; I420-N422 PolarHBondContact O-N 3.4Å; I420-T470 WeakPolarHBondContact CB-O 3.27Å; I420-T470 PolarHBondContact N-O 3.32Å; I420-T470 PolarHBondContact O-N 3.34Å; I420-T470 PolarHBondContact O-OG1 3.48Å; I420-R471 VanDerWaalsContact CD1-O 3.27Å; I420-R471 WeakPolarHBondContact CD1-O 3.37Å; I420-L473 HydrophobicContact CD1-CB 3.98Å; I420-L473 HydrophobicContact CD1-CD2 3.78Å; I420-L473 HydrophobicContact CD1-CG 3.96Å; I420-L473 HydrophobicContact CG1-CD2 4.28Å; I420-I519 CarbonylContact C-O 3.59Å; I420-I519 VanDerWaalsContact CA-O 3.28Å; I420-I519 WeakPolarHBondContact CA-O 3.27Å; I420-I519 HydrophobicContact CG1-CB 4.27Å; I420-I519 HydrophobicContact CG2-CG2 4.39Å; I420-I521 HydrophobicContact CG2-CG2 3.56Å
421	R	97.4	Very high	91.5	Very high	23 Å²	23	33.8 Å²	33.8	9%	0.087	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	88.2	167.1	-176.9	178.1	166	-124.2	-5.1	108.5	N434 I436 L469 I518 I519 K520 I521	R421-N434 HydrophobicContact CG-CB 4.02Å; R421-N434 PolarHBondContact NE-O 2.96Å; R421-N434 PolarHBondContact NH2-O 2.97Å; R421-I436 VanDerWaalsContact NH2-CG1 3.3Å; R421-L469 HydrophobicContact CB-CD2 4.04Å; R421-I518 HydrophobicContact CB-CD1 3.84Å; R421-I518 HydrophobicContact CB-CG1 4.36Å; R421-I519 PolarHBondContact N-O 2.88Å; R421-K520 WeakPolarHBondContact O-CA 2.91Å; R421-I521 PolarHBondContact O-N 3.39Å
422	N	97.2	Very high	92	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	114.5	174.6	174.2	7.3	0	0	0	109.9	I420 A424 V425 N434 I521 Y523	I420-N422 HydrophobicContact CG2-CB 4.3Å; I420-N422 PolarHBondContact O-N 3.4Å; N422-A424 PolarHBondContact O-N 3.12Å; N422-A424 PolarHBondContact OD1-N 3.18Å; N422-V425 HydrophobicContact CB-CG2 3.77Å; N422-V425 WeakPolarHBondContact O-CG2 3.06Å; N422-V425 PolarHBondContact O-N 3.45Å; N422-N434 WeakPolarHBondContact O-CB 3.47Å; N422-N434 PolarHBondContact O-ND2 3.43Å; N422-I521 HydrophobicContact CB-CG2 3.71Å; N422-Y523 WeakPolarHBondContact OD1-CD2 3.48Å
423	T	96.4	Very high	92.5	Very high	24 Å²	24	28.3 Å²	28.3	15%	0.147	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-15.8	-176.3	53.7	0	0	0	0	113.9	I521 D522	T423-I521 PolarHBondContact N-O 2.87Å; T423-I521 VanDerWaalsContact N-O 3.13Å; T423-I521 PolarHBondContact OG1-O 3.3Å; T423-D522 WeakPolarHBondContact CB-OD1 3.26Å; T423-D522 WeakPolarHBondContact CG2-OD1 3.45Å; T423-D522 PolarHBondContact OG1-OD1 3.32Å
424	A	95.3	Very high	92.9	Very high	6 Å²	6	26.4 Å²	26.4	5%	0.05	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	3.3	178.7	0	0	0	0	0	114.3	A219 L265 N422 Y523	A219-A424 HydrophobicContact CB-CB 4.07Å; L265-A424 HydrophobicContact CD1-CB 3.86Å; N422-A424 PolarHBondContact O-N 3.12Å; N422-A424 PolarHBondContact OD1-N 3.18Å; A424-Y523 HydrophobicContact CB-CD2 4.42Å
425	V	94.8	Very high	93.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.161	C	C	.	.			trans	-67.4	136	172.9	175.7	0	0	0	0	109.4	N266 N422 F432 P433 E468 T470	N266-V425 HydrophobicContact CB-CG2 4.27Å; N422-V425 HydrophobicContact CB-CG2 3.77Å; N422-V425 WeakPolarHBondContact O-CG2 3.06Å; N422-V425 PolarHBondContact O-N 3.45Å; V425-F432 WeakPolarHBondContact O-CD1 3.42Å; V425-P433 HydrophobicContact CG1-CG 4.45Å; V425-P433 WeakPolarHBondContact O-CD 3.48Å; V425-E468 HydrophobicContact CG1-CB 3.99Å; V425-T470 HydrophobicContact CG2-CG2 4.04Å
426	I	92	Very high	93.4	Very high	7 Å²	7	32.1 Å²	32.1	4%	0.036	18%	0.176	C	C	.	.			trans	-109.8	131.1	175.8	-50	167.7	0	0	0	108.6	L217 T222 L268 Y269 N431 F432	L217-I426 HydrophobicContact CD1-CD1 4.29Å; T222-I426 HydrophobicContact CG2-CD1 4.14Å; T222-I426 HydrophobicContact CG2-CG2 4.42Å; L268-I426 WeakPolarHBondContact CB-O 3.15Å; L268-I426 PolarHBondContact N-O 2.84Å; Y269-I426 HydrophobicContact CG-CG2 4.32Å; I426-N431 CarbonylContact C-O 3.56Å; I426-N431 VanDerWaalsContact CA-O 3.3Å; I426-N431 WeakPolarHBondContact CA-O 3.21Å; I426-F432 HydrophobicContact CD1-CE1 4.36Å; I426-F432 HydrophobicContact CG1-CD1 4.16Å; I426-F432 HydrophobicContact CG1-CE1 3.67Å; I426-F432 HydrophobicContact CG1-CZ 4.29Å
427	D	89.7	Confident	93.4	Very high	31 Å²	31	35 Å²	35	17%	0.166	19%	0.193	C	C	.	.			trans	-76.7	179.5	176.3	71	15.9	0	0	0	112.8	Y269 S429 G430 N431 P433	Y269-D427 VanDerWaalsContact CA-O 3.28Å; Y269-D427 WeakPolarHBondContact CA-O 3.16Å; Y269-D427 VanDerWaalsContact CB-O 3.28Å; Y269-D427 WeakPolarHBondContact CB-O 3.44Å; Y269-D427 PolarHBondContact N-O 3.23Å; D427-S429 PolarHBondContact O-N 3.25Å; D427-S429 VanDerWaalsContact OD1-C 3.29Å; D427-S429 VanDerWaalsContact OD1-CA 3.27Å; D427-S429 WeakPolarHBondContact OD1-CA 3.14Å; D427-S429 WeakPolarHBondContact OD1-CB 3.1Å; D427-S429 PolarHBondContact OD1-N 2.87Å; D427-G430 PolarHBondContact O-N 3.01Å; D427-G430 PolarHBondContact OD1-N 2.82Å; D427-N431 PolarHBondContact N-O 3.49Å; D427-N431 PolarHBondContact OD1-N 3Å; D427-P433 HydrophobicContact CB-CB 4.43Å; D427-P433 HydrophobicContact CB-CG 3.94Å
428	K	85.8	Confident	93.5	Very high	154 Å²	154	39.1 Å²	39.1	67%	0.67	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.3	178	-64.1	179.2	-178.4	175.7	0	113.6	L268	L268-K428 HydrophobicContact CB-CG 4.1Å
429	S	86.6	Confident	93.4	Very high	92 Å²	92	42.4 Å²	42.4	64%	0.643	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-2.1	-178.4	-63.7	0	0	0	0	112.9	D427 N431	D427-S429 PolarHBondContact O-N 3.25Å; D427-S429 VanDerWaalsContact OD1-C 3.29Å; D427-S429 VanDerWaalsContact OD1-CA 3.27Å; D427-S429 WeakPolarHBondContact OD1-CA 3.14Å; D427-S429 WeakPolarHBondContact OD1-CB 3.1Å; D427-S429 PolarHBondContact OD1-N 2.87Å; S429-N431 WeakPolarHBondContact CB-ND2 3.49Å
430	G	87.6	Confident	93.3	Very high	16 Å²	16	43.3 Å²	43.3	17%	0.165	25%	0.251	C	S	.	.	S	Bend	trans	84.9	14.4	-179	0	0	0	0	0	113.9	Y269 D427	Y269-G430 VanDerWaalsContact CD2-CA 3.44Å; D427-G430 PolarHBondContact O-N 3.01Å; D427-G430 PolarHBondContact OD1-N 2.82Å
431	N	91.9	Very high	93	Very high	92 Å²	92	47 Å²	47	49%	0.492	27%	0.268	S	S	.	.	S	Bend	trans	-99.4	167.1	177.8	-51.8	-60.1	0	0	0	111.4	I426 D427 S429 P433	I426-N431 CarbonylContact C-O 3.56Å; I426-N431 VanDerWaalsContact CA-O 3.3Å; I426-N431 WeakPolarHBondContact CA-O 3.21Å; D427-N431 PolarHBondContact N-O 3.49Å; D427-N431 PolarHBondContact OD1-N 3Å; S429-N431 WeakPolarHBondContact CB-ND2 3.49Å; N431-P433 WeakPolarHBondContact O-CD 3.39Å
432	F	94.1	Very high	92.8	Very high	59 Å²	59	50.7 Å²	50.7	26%	0.259	29%	0.289	S	S	.	.			trans	-97.8	85.8	174.5	-62.7	-80.4	0	0	0	110.8	G220 T222 V425 I426 N434 V435	G220-F432 VanDerWaalsContact C-CZ 3.5Å; G220-F432 WeakPolarHBondContact O-CZ 3.23Å; T222-F432 HydrophobicContact CG2-CE2 3.83Å; T222-F432 HydrophobicContact CG2-CZ 3.67Å; V425-F432 WeakPolarHBondContact O-CD1 3.42Å; I426-F432 HydrophobicContact CD1-CE1 4.36Å; I426-F432 HydrophobicContact CG1-CD1 4.16Å; I426-F432 HydrophobicContact CG1-CE1 3.67Å; I426-F432 HydrophobicContact CG1-CZ 4.29Å; F432-N434 PolarHBondContact O-N 3.21Å; F432-N434 VanDerWaalsContact O-N 3.11Å; F432-V435 HydrophobicContact CB-CB 4.29Å; F432-V435 HydrophobicContact CB-CG2 3.77Å; F432-V435 PolarHBondContact O-N 3.17Å; F432-V435 VanDerWaalsContact O-N 3.12Å
433	P	93.9	Very high	92.6	Very high	17 Å²	17	53 Å²	53	11%	0.11	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-26.5	-174.1	25.1	-38.1	0	0	0	113.3	V425 D427 N431 V435 K466 W467 E468	V425-P433 HydrophobicContact CG1-CG 4.45Å; V425-P433 WeakPolarHBondContact O-CD 3.48Å; D427-P433 HydrophobicContact CB-CB 4.43Å; D427-P433 HydrophobicContact CB-CG 3.94Å; N431-P433 WeakPolarHBondContact O-CD 3.39Å; P433-V435 VanDerWaalsContact C-N 3.32Å; P433-V435 PolarHBondContact O-N 3.2Å; P433-K466 VanDerWaalsContact CB-O 3.23Å; P433-K466 WeakPolarHBondContact CB-O 3.16Å; P433-W467 VanDerWaalsContact O-CD1 3.3Å; P433-E468 HydrophobicContact CB-CG 4.12Å; P433-E468 HydrophobicContact CG-CB 3.9Å; P433-E468 HydrophobicContact CG-CG 3.72Å
434	N	95.7	Very high	92.4	Very high	0 Å²	0	53 Å²	53	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	5.6	-176.8	-70.5	-20.6	0	0	0	113.1	R421 N422 F432 W467 E468	R421-N434 HydrophobicContact CG-CB 4.02Å; R421-N434 PolarHBondContact NE-O 2.96Å; R421-N434 PolarHBondContact NH2-O 2.97Å; N422-N434 WeakPolarHBondContact O-CB 3.47Å; N422-N434 PolarHBondContact O-ND2 3.43Å; F432-N434 PolarHBondContact O-N 3.21Å; F432-N434 VanDerWaalsContact O-N 3.11Å; N434-W467 WeakPolarHBondContact OD1-CA 3.49Å; N434-W467 WeakPolarHBondContact OD1-CB 3.49Å; N434-E468 PolarHBondContact ND2-O 3.06Å; N434-E468 PolarHBondContact OD1-N 3.21Å
435	V	94.6	Very high	92.1	Very high	70 Å²	70	56.3 Å²	56.3	42%	0.424	32%	0.322	S	S	.	.	S	Bend	trans	-97.5	126.6	173.4	176.8	0	0	0	0	109.3	F432 P433 T437	F432-V435 HydrophobicContact CB-CB 4.29Å; F432-V435 HydrophobicContact CB-CG2 3.77Å; F432-V435 PolarHBondContact O-N 3.17Å; F432-V435 VanDerWaalsContact O-N 3.12Å; P433-V435 VanDerWaalsContact C-N 3.32Å; P433-V435 PolarHBondContact O-N 3.2Å; V435-T437 PolarHBondContact O-N 2.89Å
436	I	93.2	Very high	91.9	Very high	62 Å²	62	62.6 Å²	62.6	32%	0.318	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-78.8	119.5	175.1	-69.2	155.5	0	0	0	107.3	R421 D440 Q441 I463 W467	R421-I436 VanDerWaalsContact NH2-CG1 3.3Å; I436-D440 HydrophobicContact CG2-CB 4.11Å; I436-Q441 HydrophobicContact CG2-CB 4.37Å; I436-I463 HydrophobicContact CG1-CG2 4.35Å; I436-W467 HydrophobicContact CD1-CZ2 4.08Å; I436-W467 HydrophobicContact CG1-CZ2 4.18Å
437	T	93.4	Very high	91.7	Very high	63 Å²	63	62.3 Å²	62.3	39%	0.387	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-77.1	159.1	177.7	65.9	0	0	0	0	110.9	V435 S439 D440 Q441	V435-T437 PolarHBondContact O-N 2.89Å; T437-S439 PolarHBondContact O-N 2.93Å; T437-S439 PolarHBondContact OG1-OG 3.4Å; T437-D440 PolarHBondContact O-N 3.42Å; T437-D440 VanDerWaalsContact O-N 3.12Å; T437-D440 WeakPolarHBondContact OG1-CB 3.36Å; T437-D440 VanDerWaalsContact OG1-CG 3.25Å; T437-D440 PolarHBondContact OG1-N 3.44Å; T437-D440 VanDerWaalsContact OG1-N 3.17Å; T437-D440 PolarHBondContact OG1-OD2 2.9Å; T437-Q441 PolarHBondContact O-N 2.84Å
438	S	94.3	Very high	91.7	Very high	97 Å²	97	62 Å²	62	68%	0.678	35%	0.348	S	S	*	.	H	α-helix	trans	-59.7	-32.3	174.1	-47.5	0	0	0	0	112.3	N442	S438-N442 WeakPolarHBondContact O-CB 3.33Å; S438-N442 PolarHBondContact O-N 3.04Å; S438-N442 PolarHBondContact O-ND2 2.9Å; S438-N442 PolarHBondContact O-OD1 2.76Å
439	S	93.9	Very high	91.6	Very high	71 Å²	71	57 Å²	57	50%	0.497	34%	0.336	S	S	.	.	H	α-helix	trans	-65.8	-43.4	175	62.8	0	0	0	0	111.8	T437 Q441 N442 S443	T437-S439 PolarHBondContact O-N 2.93Å; T437-S439 PolarHBondContact OG1-OG 3.4Å; S439-Q441 VanDerWaalsContact C-N 3.34Å; S439-Q441 PolarHBondContact O-N 2.89Å; S439-N442 PolarHBondContact O-N 2.83Å; S439-S443 PolarHBondContact O-N 3.46Å; S439-S443 PolarHBondContact O-OG 2.84Å; S439-S443 VanDerWaalsContact O-OG 3.13Å
440	D	93.5	Very high	91.3	Very high	21 Å²	21	58.6 Å²	58.6	11%	0.112	34%	0.336	C	S	.	.	H	α-helix	trans	-63	-43.2	178.2	-74.4	-11	0	0	0	110.5	I436 T437 S443 L444 I463 K466	I436-D440 HydrophobicContact CG2-CB 4.11Å; T437-D440 PolarHBondContact O-N 3.42Å; T437-D440 VanDerWaalsContact O-N 3.12Å; T437-D440 WeakPolarHBondContact OG1-CB 3.36Å; T437-D440 VanDerWaalsContact OG1-CG 3.25Å; T437-D440 PolarHBondContact OG1-N 3.44Å; T437-D440 VanDerWaalsContact OG1-N 3.17Å; T437-D440 PolarHBondContact OG1-OD2 2.9Å; D440-S443 PolarHBondContact O-N 3.38Å; D440-L444 PolarHBondContact O-N 3.47Å; D440-I463 HydrophobicContact CB-CD1 3.96Å; D440-I463 HydrophobicContact CB-CG1 3.98Å; D440-K466 VanDerWaalsContact CG-NZ 3.3Å; D440-K466 IonicContact OD1-NZ 3.08Å; D440-K466 PolarHBondContact OD1-NZ 2.89Å; D440-K466 IonicContact OD2-NZ 2.66Å; D440-K466 PolarHBondContact OD2-NZ 2.83Å
441	Q	91.7	Very high	90.6	Very high	79 Å²	79	58 Å²	58	37%	0.369	33%	0.331	S	S	.	.	H	α-helix	trans	-63.3	-43.3	174.9	-171.7	62.8	44.6	0	0	112.1	I436 T437 S439 L444 N445	I436-Q441 HydrophobicContact CG2-CB 4.37Å; T437-Q441 PolarHBondContact O-N 2.84Å; S439-Q441 VanDerWaalsContact C-N 3.34Å; S439-Q441 PolarHBondContact O-N 2.89Å; Q441-L444 PolarHBondContact O-N 2.82Å; Q441-N445 PolarHBondContact NE2-OD1 2.89Å; Q441-N445 WeakPolarHBondContact O-CB 2.99Å; Q441-N445 PolarHBondContact O-N 2.79Å; Q441-N445 PolarHBondContact O-ND2 3.18Å; Q441-N445 PolarHBondContact O-OD1 3.33Å
442	N	93.8	Very high	90.2	Very high	100 Å²	100	57.6 Å²	57.6	54%	0.535	33%	0.328	S	S	.	.	H	α-helix	trans	-64.3	-43.2	178.7	-72.3	-14.8	0	0	0	111.8	S438 S439 L444 N445 E446	S438-N442 WeakPolarHBondContact O-CB 3.33Å; S438-N442 PolarHBondContact O-N 3.04Å; S438-N442 PolarHBondContact O-ND2 2.9Å; S438-N442 PolarHBondContact O-OD1 2.76Å; S439-N442 PolarHBondContact O-N 2.83Å; N442-L444 VanDerWaalsContact C-N 3.32Å; N442-L444 PolarHBondContact O-N 3.49Å; N442-N445 PolarHBondContact O-N 3.16Å; N442-E446 WeakPolarHBondContact O-CB 3.46Å; N442-E446 PolarHBondContact O-N 3.25Å
443	S	91.9	Very high	89.9	Confident	52 Å²	52	57.3 Å²	57.3	36%	0.364	33%	0.331	S	S	.	.	H	α-helix	trans	-62.1	-39.6	175.8	-63.6	0	0	0	0	112	S439 D440 A447	S439-S443 PolarHBondContact O-N 3.46Å; S439-S443 PolarHBondContact O-OG 2.84Å; S439-S443 VanDerWaalsContact O-OG 3.13Å; D440-S443 PolarHBondContact O-N 3.38Å; S443-A447 WeakPolarHBondContact O-CB 3.4Å; S443-A447 PolarHBondContact O-N 3.17Å
444	L	91.8	Very high	89.8	Confident	25 Å²	25	59.5 Å²	59.5	13%	0.131	35%	0.351	C	S	.	.	H	α-helix	trans	-66.7	-44.1	175.3	-174.4	62.5	0	0	0	111.6	D440 Q441 N442 E446 A447 L448 I459 E460 I463 I550	D440-L444 PolarHBondContact O-N 3.47Å; Q441-L444 PolarHBondContact O-N 2.82Å; N442-L444 VanDerWaalsContact C-N 3.32Å; N442-L444 PolarHBondContact O-N 3.49Å; L444-E446 PolarHBondContact O-N 2.86Å; L444-A447 PolarHBondContact O-N 2.65Å; L444-L448 HydrophobicContact CG-CD1 4.43Å; L444-L448 WeakPolarHBondContact O-CG 3.39Å; L444-L448 PolarHBondContact O-N 3.38Å; L444-I459 HydrophobicContact CB-CG2 4.29Å; L444-I459 HydrophobicContact CD1-CG2 4.27Å; L444-E460 HydrophobicContact CD1-CB 4.36Å; L444-I463 HydrophobicContact CB-CD1 4.32Å; L444-I550 HydrophobicContact CD1-CD1 4.08Å; L444-I550 HydrophobicContact CD1-CG1 4.22Å; L444-I550 HydrophobicContact CD2-CD1 4.47Å
445	N	89.6	Confident	89.5	Confident	75 Å²	75	61 Å²	61	40%	0.401	36%	0.362	S	S	.	.	H	α-helix	trans	-62.5	-41.2	177.2	-70.4	-9	0	0	0	111.7	Q441 N442 L448 A449	Q441-N445 PolarHBondContact NE2-OD1 2.89Å; Q441-N445 WeakPolarHBondContact O-CB 2.99Å; Q441-N445 PolarHBondContact O-N 2.79Å; Q441-N445 PolarHBondContact O-ND2 3.18Å; Q441-N445 PolarHBondContact O-OD1 3.33Å; N442-N445 PolarHBondContact O-N 3.16Å; N445-L448 PolarHBondContact O-N 2.88Å; N445-A449 WeakPolarHBondContact O-CB 3.48Å; N445-A449 PolarHBondContact O-N 2.87Å
446	E	90	Very high	89.4	Confident	131 Å²	131	57.7 Å²	57.7	61%	0.612	34%	0.342	S	S	*	.	H	α-helix	trans	-63.3	-41.5	175.7	-173.9	176.9	-178.8	0	0	111.3	N442 L444 A449 L450	N442-E446 WeakPolarHBondContact O-CB 3.46Å; N442-E446 PolarHBondContact O-N 3.25Å; L444-E446 PolarHBondContact O-N 2.86Å; E446-A449 CarbonylContact O-C 3.59Å; E446-A449 WeakPolarHBondContact O-CA 3.26Å; E446-A449 WeakPolarHBondContact O-CB 3.26Å; E446-A449 PolarHBondContact O-N 2.8Å; E446-A449 VanDerWaalsContact O-N 3.13Å; E446-L450 WeakPolarHBondContact O-CG 3.26Å; E446-L450 PolarHBondContact O-N 3.06Å
447	A	89.4	Confident	89.4	Confident	2 Å²	2	56.6 Å²	56.6	2%	0.017	34%	0.337	C	S	.	.	H	α-helix	trans	-65.9	-44.4	177.2	0	0	0	0	0	112.9	S443 L444 A449 L450 G451 A456 I459	S443-A447 WeakPolarHBondContact O-CB 3.4Å; S443-A447 PolarHBondContact O-N 3.17Å; L444-A447 PolarHBondContact O-N 2.65Å; A447-A449 PolarHBondContact O-N 2.83Å; A447-L450 PolarHBondContact O-N 2.61Å; A447-L450 VanDerWaalsContact O-N 3.14Å; A447-G451 PolarHBondContact O-N 2.98Å; A447-A456 HydrophobicContact CB-CB 4.24Å; A447-I459 HydrophobicContact CB-CD1 3.49Å; A447-I459 VanDerWaalsContact CB-CD1 3.49Å
448	L	88.6	Confident	89.3	Confident	24 Å²	24	56.8 Å²	56.8	13%	0.126	34%	0.342	C	S	.	.	H	α-helix	trans	-59.8	-38.8	170.3	-71.3	172.3	0	0	0	110.4	L444 N445 L450 G451 A456 I550 Q553 A554	L444-L448 HydrophobicContact CG-CD1 4.43Å; L444-L448 WeakPolarHBondContact O-CG 3.39Å; L444-L448 PolarHBondContact O-N 3.38Å; N445-L448 PolarHBondContact O-N 2.88Å; L448-L450 PolarHBondContact O-N 2.9Å; L448-G451 PolarHBondContact O-N 3.13Å; L448-A456 HydrophobicContact CD2-CB 4.06Å; L448-I550 HydrophobicContact CD1-CD1 4.13Å; L448-I550 HydrophobicContact CD2-CD1 3.86Å; L448-I550 HydrophobicContact CD2-CG1 4.24Å; L448-I550 HydrophobicContact CG-CD1 4.32Å; L448-Q553 HydrophobicContact CD2-CG 4.16Å; L448-A554 HydrophobicContact CD2-CB 3.91Å
449	A	83.6	Confident	89.3	Confident	50 Å²	50	54.2 Å²	54.2	41%	0.413	32%	0.32	S	S	.	.	H	α-helix	trans	-72.5	-7.6	177.5	0	0	0	0	0	115	N445 E446 A447 R561	N445-A449 WeakPolarHBondContact O-CB 3.48Å; N445-A449 PolarHBondContact O-N 2.87Å; E446-A449 CarbonylContact O-C 3.59Å; E446-A449 WeakPolarHBondContact O-CA 3.26Å; E446-A449 WeakPolarHBondContact O-CB 3.26Å; E446-A449 PolarHBondContact O-N 2.8Å; E446-A449 VanDerWaalsContact O-N 3.13Å; A447-A449 PolarHBondContact O-N 2.83Å; A449-R561 VanDerWaalsContact C-NH1 3.25Å; A449-R561 VanDerWaalsContact CA-NH2 3.32Å; A449-R561 PolarHBondContact O-NH1 2.83Å
450	L	81.1	Confident	89.3	Confident	124 Å²	124	52.7 Å²	52.7	65%	0.649	31%	0.305	S	S	*	.	H	α-helix	trans	-91.6	-16.7	167.1	-70	167.8	0	0	0	112.1	E446 A447 L448 N452	E446-L450 WeakPolarHBondContact O-CG 3.26Å; E446-L450 PolarHBondContact O-N 3.06Å; A447-L450 PolarHBondContact O-N 2.61Å; A447-L450 VanDerWaalsContact O-N 3.14Å; L448-L450 PolarHBondContact O-N 2.9Å; L450-N452 PolarHBondContact O-N 3.24Å
451	G	73.1	Confident	89.4	Confident	5 Å²	5	52.7 Å²	52.7	5%	0.052	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	12.2	-176.9	0	0	0	0	0	114.4	A447 L448 Q558	A447-G451 PolarHBondContact O-N 2.98Å; L448-G451 PolarHBondContact O-N 3.13Å; G451-Q558 PolarHBondContact O-OE1 3.36Å
452	N	83.7	Confident	89.5	Confident	83 Å²	83	51.5 Å²	51.5	44%	0.444	31%	0.312	S	S	.	.			trans	-89.5	107	174.9	-179.2	-9.6	0	0	0	110	L450 A454 S455 A456	L450-N452 PolarHBondContact O-N 3.24Å; N452-A454 VanDerWaalsContact C-N 3.31Å; N452-A454 PolarHBondContact O-N 2.98Å; N452-A454 WeakPolarHBondContact OD1-CB 3.49Å; N452-A454 PolarHBondContact OD1-N 2.89Å; N452-S455 WeakPolarHBondContact O-CB 3.34Å; N452-S455 PolarHBondContact O-N 3.32Å; N452-S455 VanDerWaalsContact O-N 3.16Å; N452-S455 PolarHBondContact OD1-N 3.26Å; N452-A456 PolarHBondContact O-N 3Å; N452-A456 VanDerWaalsContact O-N 3.12Å
453	T	88.1	Confident	89.6	Confident	52 Å²	52	47.4 Å²	47.4	32%	0.319	29%	0.289	S	S	.	.	H	α-helix	trans	-54.3	-43.7	178.7	55.7	0	0	0	0	112.7	S455 A456 V457 A554 A555	T453-S455 VanDerWaalsContact C-N 3.34Å; T453-S455 PolarHBondContact O-N 2.94Å; T453-A456 PolarHBondContact O-N 2.75Å; T453-V457 WeakPolarHBondContact O-CB 3.33Å; T453-V457 WeakPolarHBondContact O-CG2 3.27Å; T453-V457 PolarHBondContact O-N 2.72Å; T453-A554 HydrophobicContact CG2-CB 3.93Å; T453-A555 HydrophobicContact CG2-CB 4.14Å
454	A	90.2	Very high	89.7	Confident	64 Å²	64	45.6 Å²	45.6	53%	0.529	28%	0.275	S	S	.	.	H	α-helix	trans	-64.9	-38.7	-179.4	0	0	0	0	0	112.1	N452 S458	N452-A454 VanDerWaalsContact C-N 3.31Å; N452-A454 PolarHBondContact O-N 2.98Å; N452-A454 WeakPolarHBondContact OD1-CB 3.49Å; N452-A454 PolarHBondContact OD1-N 2.89Å; A454-S458 VanDerWaalsContact O-CB 3.32Å; A454-S458 WeakPolarHBondContact O-CB 3.47Å; A454-S458 PolarHBondContact O-N 2.85Å; A454-S458 PolarHBondContact O-OG 3.19Å
455	S	90.8	Very high	89.9	Confident	32 Å²	32	46.7 Å²	46.7	22%	0.224	28%	0.281	C	S	.	.	H	α-helix	trans	-63.6	-51.5	176.4	-173.9	0	0	0	0	111.1	N452 T453 V457 S458 I459	N452-S455 WeakPolarHBondContact O-CB 3.34Å; N452-S455 PolarHBondContact O-N 3.32Å; N452-S455 VanDerWaalsContact O-N 3.16Å; N452-S455 PolarHBondContact OD1-N 3.26Å; T453-S455 VanDerWaalsContact C-N 3.34Å; T453-S455 PolarHBondContact O-N 2.94Å; S455-V457 PolarHBondContact O-N 3.03Å; S455-S458 PolarHBondContact O-N 3.04Å; S455-S458 VanDerWaalsContact O-N 3.13Å; S455-S458 PolarHBondContact O-OG 2.53Å; S455-I459 PolarHBondContact O-N 3.15Å
456	A	91.6	Very high	90.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.7	-42.7	179.8	0	0	0	0	0	112.3	A447 L448 N452 T453 S458 I459 E460 I550 A554	A447-A456 HydrophobicContact CB-CB 4.24Å; L448-A456 HydrophobicContact CD2-CB 4.06Å; N452-A456 PolarHBondContact O-N 3Å; N452-A456 VanDerWaalsContact O-N 3.12Å; T453-A456 PolarHBondContact O-N 2.75Å; A456-S458 VanDerWaalsContact C-N 3.34Å; A456-S458 PolarHBondContact O-N 2.89Å; A456-I459 PolarHBondContact O-N 3.18Å; A456-E460 WeakPolarHBondContact O-CB 3.44Å; A456-E460 PolarHBondContact O-N 3.03Å; A456-I550 HydrophobicContact CB-CG1 4.09Å; A456-A554 HydrophobicContact CB-CB 4.2Å
457	V	92.5	Very high	90.3	Very high	38 Å²	38	43.6 Å²	43.6	23%	0.23	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-40.3	175.4	172.8	0	0	0	0	111.7	T453 S455 A461 I550 A551	T453-V457 WeakPolarHBondContact O-CB 3.33Å; T453-V457 WeakPolarHBondContact O-CG2 3.27Å; T453-V457 PolarHBondContact O-N 2.72Å; S455-V457 PolarHBondContact O-N 3.03Å; V457-A461 WeakPolarHBondContact O-CB 3.45Å; V457-A461 PolarHBondContact O-N 2.82Å; V457-I550 HydrophobicContact CB-CG2 4.2Å; V457-I550 HydrophobicContact CG2-CG2 3.54Å; V457-A551 HydrophobicContact CG2-CB 3.87Å
458	S	93.1	Very high	90.6	Very high	68 Å²	68	45.3 Å²	45.3	48%	0.476	27%	0.269	S	S	.	.	H	α-helix	trans	-67.9	-38.9	179.8	73	0	0	0	0	112.7	A454 S455 A456 A461 A462	A454-S458 VanDerWaalsContact O-CB 3.32Å; A454-S458 WeakPolarHBondContact O-CB 3.47Å; A454-S458 PolarHBondContact O-N 2.85Å; A454-S458 PolarHBondContact O-OG 3.19Å; S455-S458 PolarHBondContact O-N 3.04Å; S455-S458 VanDerWaalsContact O-N 3.13Å; S455-S458 PolarHBondContact O-OG 2.53Å; A456-S458 VanDerWaalsContact C-N 3.34Å; A456-S458 PolarHBondContact O-N 2.89Å; S458-A461 PolarHBondContact O-N 2.89Å; S458-A462 WeakPolarHBondContact O-CB 3.5Å; S458-A462 PolarHBondContact O-N 3.22Å
459	I	93.6	Very high	90.9	Very high	42 Å²	42	44.2 Å²	44.2	22%	0.215	26%	0.263	C	S	.	.	H	α-helix	trans	-72.3	-41.7	178.4	-72.8	162.5	0	0	0	110.7	L444 A447 S455 A456 A461 A462 I463	L444-I459 HydrophobicContact CB-CG2 4.29Å; L444-I459 HydrophobicContact CD1-CG2 4.27Å; A447-I459 HydrophobicContact CB-CD1 3.49Å; A447-I459 VanDerWaalsContact CB-CD1 3.49Å; S455-I459 PolarHBondContact O-N 3.15Å; A456-I459 PolarHBondContact O-N 3.18Å; I459-A461 VanDerWaalsContact C-N 3.31Å; I459-A461 PolarHBondContact O-N 2.9Å; I459-A462 PolarHBondContact O-N 3.35Å; I459-I463 HydrophobicContact CG2-CD1 3.97Å; I459-I463 VanDerWaalsContact O-CG1 3.31Å; I459-I463 WeakPolarHBondContact O-CG1 3.32Å; I459-I463 PolarHBondContact O-N 3.38Å
460	E	93.9	Very high	91.5	Very high	39 Å²	39	41.9 Å²	41.9	18%	0.182	24%	0.244	C	C	.	.	H	α-helix	trans	-57.1	-47.1	172.6	-173.6	-168	-152.9	0	0	110.7	L444 A456 A462 I463 Q464 I550	L444-E460 HydrophobicContact CD1-CB 4.36Å; A456-E460 WeakPolarHBondContact O-CB 3.44Å; A456-E460 PolarHBondContact O-N 3.03Å; E460-A462 VanDerWaalsContact C-N 3.32Å; E460-A462 PolarHBondContact O-N 3.23Å; E460-I463 PolarHBondContact O-N 3.21Å; E460-Q464 VanDerWaalsContact CD-NE2 3.31Å; E460-Q464 HydrophobicContact CG-CG 4.34Å; E460-Q464 WeakPolarHBondContact O-CB 3.47Å; E460-Q464 VanDerWaalsContact O-CG 3.29Å; E460-Q464 WeakPolarHBondContact O-CG 3.49Å; E460-Q464 PolarHBondContact O-N 3.34Å; E460-Q464 PolarHBondContact OE1-NE2 2.8Å; E460-Q464 VanDerWaalsContact OE1-NE2 3.09Å; E460-I550 HydrophobicContact CB-CG2 4.24Å; E460-I550 WeakPolarHBondContact OE2-CB 3.39Å; E460-I550 WeakPolarHBondContact OE2-CG2 3.26Å
461	A	94.5	Very high	92.1	Very high	21 Å²	21	36.4 Å²	36.4	17%	0.174	21%	0.214	C	C	.	.	H	α-helix	trans	-61.5	-40.6	177.7	0	0	0	0	0	112	V457 S458 I459 I463 Q464 D465	V457-A461 WeakPolarHBondContact O-CB 3.45Å; V457-A461 PolarHBondContact O-N 2.82Å; S458-A461 PolarHBondContact O-N 2.89Å; I459-A461 VanDerWaalsContact C-N 3.31Å; I459-A461 PolarHBondContact O-N 2.9Å; A461-I463 VanDerWaalsContact C-N 3.33Å; A461-I463 PolarHBondContact O-N 3.42Å; A461-Q464 PolarHBondContact O-N 2.78Å; A461-D465 VanDerWaalsContact O-CB 3.3Å; A461-D465 WeakPolarHBondContact O-CB 3.46Å; A461-D465 VanDerWaalsContact O-CG 3.22Å; A461-D465 PolarHBondContact O-N 3.34Å
462	A	95	Very high	93.2	Very high	55 Å²	55	36.2 Å²	36.2	46%	0.455	21%	0.212	S	C	.	.	H	α-helix	trans	-64.5	-34.8	176.7	0	0	0	0	0	113	S458 I459 E460	S458-A462 WeakPolarHBondContact O-CB 3.5Å; S458-A462 PolarHBondContact O-N 3.22Å; I459-A462 PolarHBondContact O-N 3.35Å; E460-A462 VanDerWaalsContact C-N 3.32Å; E460-A462 PolarHBondContact O-N 3.23Å
463	I	95.2	Very high	93.9	Very high	13 Å²	13	32.3 Å²	32.3	7%	0.067	19%	0.192	C	C	.	.	H	α-helix	trans	-70.1	-47.6	174.1	-64.7	163.8	0	0	0	110.1	I436 D440 L444 I459 E460 A461 D465 K466 W467	I436-I463 HydrophobicContact CG1-CG2 4.35Å; D440-I463 HydrophobicContact CB-CD1 3.96Å; D440-I463 HydrophobicContact CB-CG1 3.98Å; L444-I463 HydrophobicContact CB-CD1 4.32Å; I459-I463 HydrophobicContact CG2-CD1 3.97Å; I459-I463 VanDerWaalsContact O-CG1 3.31Å; I459-I463 WeakPolarHBondContact O-CG1 3.32Å; I459-I463 PolarHBondContact O-N 3.38Å; E460-I463 PolarHBondContact O-N 3.21Å; A461-I463 VanDerWaalsContact C-N 3.33Å; A461-I463 PolarHBondContact O-N 3.42Å; I463-D465 VanDerWaalsContact C-N 3.29Å; I463-D465 PolarHBondContact O-N 3.14Å; I463-K466 WeakPolarHBondContact O-CB 3.33Å; I463-K466 PolarHBondContact O-N 2.96Å; I463-K466 VanDerWaalsContact O-N 3.16Å; I463-W467 HydrophobicContact CG2-CZ2 4.12Å; I463-W467 PolarHBondContact O-NE1 3.16Å
464	Q	95.2	Very high	94.3	Very high	14 Å²	14	29.9 Å²	29.9	7%	0.065	18%	0.176	C	C	.	.	H	α-helix	trans	-64.4	-32	179.9	-70.4	174.2	-5.3	0	0	112.7	G313 L317 E460 A461 K466 W467	G313-Q464 WeakPolarHBondContact CA-O 3.39Å; L317-Q464 HydrophobicContact CD1-CB 4.42Å; L317-Q464 HydrophobicContact CD1-CG 4.03Å; E460-Q464 VanDerWaalsContact CD-NE2 3.31Å; E460-Q464 HydrophobicContact CG-CG 4.34Å; E460-Q464 WeakPolarHBondContact O-CB 3.47Å; E460-Q464 VanDerWaalsContact O-CG 3.29Å; E460-Q464 WeakPolarHBondContact O-CG 3.49Å; E460-Q464 PolarHBondContact O-N 3.34Å; E460-Q464 PolarHBondContact OE1-NE2 2.8Å; E460-Q464 VanDerWaalsContact OE1-NE2 3.09Å; A461-Q464 PolarHBondContact O-N 2.78Å; Q464-K466 PolarHBondContact O-N 2.9Å; Q464-W467 HydrophobicContact CB-CE3 4.28Å; Q464-W467 HydrophobicContact CB-CZ3 4.43Å; Q464-W467 HydrophobicContact CG-CE3 4.06Å; Q464-W467 HydrophobicContact CG-CH2 3.83Å; Q464-W467 HydrophobicContact CG-CZ2 4.3Å; Q464-W467 HydrophobicContact CG-CZ3 3.71Å; Q464-W467 WeakPolarHBondContact O-CB 3.48Å; Q464-W467 PolarHBondContact O-N 2.88Å; Q464-W467 VanDerWaalsContact O-N 3.1Å
465	D	95.3	Very high	94.6	Very high	48 Å²	48	27.6 Å²	27.6	26%	0.257	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-19.9	176.7	-83	6.8	0	0	0	113.3	K312 S314 A461 I463 W467	K312-D465 WeakPolarHBondContact CB-OD1 3.37Å; K312-D465 WeakPolarHBondContact CD-OD2 3.33Å; K312-D465 WeakPolarHBondContact CE-OD2 3.14Å; K312-D465 IonicContact NZ-OD2 2.67Å; K312-D465 PolarHBondContact NZ-OD2 3.41Å; S314-D465 WeakPolarHBondContact CB-OD1 3.44Å; S314-D465 PolarHBondContact N-OD1 3.14Å; S314-D465 PolarHBondContact OG-OD1 3.28Å; A461-D465 VanDerWaalsContact O-CB 3.3Å; A461-D465 WeakPolarHBondContact O-CB 3.46Å; A461-D465 VanDerWaalsContact O-CG 3.22Å; A461-D465 PolarHBondContact O-N 3.34Å; I463-D465 VanDerWaalsContact C-N 3.29Å; I463-D465 PolarHBondContact O-N 3.14Å; D465-W467 VanDerWaalsContact C-N 3.34Å
466	K	93.3	Very high	94.8	Very high	107 Å²	107	26.2 Å²	26.2	47%	0.465	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-20.8	172.8	-59.8	174	-170.5	174.9	0	112.5	P433 D440 I463 Q464	P433-K466 VanDerWaalsContact CB-O 3.23Å; P433-K466 WeakPolarHBondContact CB-O 3.16Å; D440-K466 VanDerWaalsContact CG-NZ 3.3Å; D440-K466 IonicContact OD1-NZ 3.08Å; D440-K466 PolarHBondContact OD1-NZ 2.89Å; D440-K466 IonicContact OD2-NZ 2.66Å; D440-K466 PolarHBondContact OD2-NZ 2.83Å; I463-K466 WeakPolarHBondContact O-CB 3.33Å; I463-K466 PolarHBondContact O-N 2.96Å; I463-K466 VanDerWaalsContact O-N 3.16Å; Q464-K466 PolarHBondContact O-N 2.9Å
467	W	95.4	Very high	95	Very high	34 Å²	34	26.2 Å²	26.2	13%	0.129	15%	0.145	C	C	.	.			trans	-73.2	137.6	-171.6	-63.8	-10.7	0	0	0	112.5	L317 P433 N434 I436 I463 Q464 D465 L469 I518	L317-W467 HydrophobicContact CD1-CE3 3.88Å; L317-W467 HydrophobicContact CD1-CZ3 3.58Å; P433-W467 VanDerWaalsContact O-CD1 3.3Å; N434-W467 WeakPolarHBondContact OD1-CA 3.49Å; N434-W467 WeakPolarHBondContact OD1-CB 3.49Å; I436-W467 HydrophobicContact CD1-CZ2 4.08Å; I436-W467 HydrophobicContact CG1-CZ2 4.18Å; I463-W467 HydrophobicContact CG2-CZ2 4.12Å; I463-W467 PolarHBondContact O-NE1 3.16Å; Q464-W467 HydrophobicContact CB-CE3 4.28Å; Q464-W467 HydrophobicContact CB-CZ3 4.43Å; Q464-W467 HydrophobicContact CG-CE3 4.06Å; Q464-W467 HydrophobicContact CG-CH2 3.83Å; Q464-W467 HydrophobicContact CG-CZ2 4.3Å; Q464-W467 HydrophobicContact CG-CZ3 3.71Å; Q464-W467 WeakPolarHBondContact O-CB 3.48Å; Q464-W467 PolarHBondContact O-N 2.88Å; Q464-W467 VanDerWaalsContact O-N 3.1Å; D465-W467 VanDerWaalsContact C-N 3.34Å; W467-L469 HydrophobicContact CB-CD2 4.24Å; W467-L469 HydrophobicContact CB-CG 4.39Å; W467-L469 HydrophobicContact CE3-CD2 4.26Å; W467-I518 HydrophobicContact CE3-CD1 4.46Å; W467-I518 HydrophobicContact CZ3-CD1 4.09Å
468	E	94.3	Very high	95	Very high	38 Å²	38	24.5 Å²	24.5	18%	0.178	14%	0.135	C	C	.	.			trans	-99.9	86.2	171.9	-71.1	-70.3	-176.8	0	0	108.8	L268 S309 V425 P433 N434	L268-E468 HydrophobicContact CD1-CB 4.43Å; L268-E468 HydrophobicContact CD1-CG 3.8Å; S309-E468 WeakPolarHBondContact CB-OE2 3.09Å; S309-E468 PolarHBondContact OG-OE2 3.03Å; V425-E468 HydrophobicContact CG1-CB 3.99Å; P433-E468 HydrophobicContact CB-CG 4.12Å; P433-E468 HydrophobicContact CG-CB 3.9Å; P433-E468 HydrophobicContact CG-CG 3.72Å; N434-E468 PolarHBondContact ND2-O 3.06Å; N434-E468 PolarHBondContact OD1-N 3.21Å
469	L	96	Very high	94.9	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.124	C	C	.	.			trans	-75.2	137.2	-177.5	-60.4	175.8	0	0	0	111.6	Y308 V316 L317 P419 R421 W467 I518	Y308-L469 HydrophobicContact CD2-CB 3.71Å; Y308-L469 HydrophobicContact CE2-CB 4.48Å; Y308-L469 HydrophobicContact CG-CB 4.24Å; Y308-L469 PolarHBondContact N-O 3.49Å; V316-L469 HydrophobicContact CB-CD1 4.15Å; V316-L469 HydrophobicContact CG1-CD1 4.12Å; L317-L469 HydrophobicContact CD2-CD1 4.31Å; L317-L469 HydrophobicContact CG-CD1 4.25Å; P419-L469 HydrophobicContact CB-CB 4.42Å; P419-L469 HydrophobicContact CB-CD1 4Å; R421-L469 HydrophobicContact CB-CD2 4.04Å; W467-L469 HydrophobicContact CB-CD2 4.24Å; W467-L469 HydrophobicContact CB-CG 4.39Å; W467-L469 HydrophobicContact CE3-CD2 4.26Å; L469-I518 HydrophobicContact CD2-CD1 4.15Å
470	T	95.8	Very high	94.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-117.2	175.6	179.8	67.1	0	0	0	0	112.1	N266 L306 Y307 I420 V425	N266-T470 HydrophobicContact CB-CG2 3.78Å; L306-T470 CarbonylContact O-C 3.57Å; L306-T470 WeakPolarHBondContact O-CA 3.44Å; Y307-T470 HydrophobicContact CD1-CG2 4.28Å; Y307-T470 HydrophobicContact CE1-CG2 4.38Å; I420-T470 WeakPolarHBondContact CB-O 3.27Å; I420-T470 PolarHBondContact N-O 3.32Å; I420-T470 PolarHBondContact O-N 3.34Å; I420-T470 PolarHBondContact O-OG1 3.48Å; V425-T470 HydrophobicContact CG2-CG2 4.04Å
471	R	94.1	Very high	94.7	Very high	9 Å²	9	20.2 Å²	20.2	3%	0.034	11%	0.105	C	C	.	.	S	Bend	trans	-123.4	-17.8	-177.1	-66.7	-172.7	68.2	-114.6	3.5	115.8	W305 L306 Y308 D400 P401 Y402 I420	W305-R471 WeakPolarHBondContact O-CB 3.11Å; W305-R471 WeakPolarHBondContact O-CD 3.31Å; W305-R471 PolarHBondContact O-NH1 3.05Å; L306-R471 PolarHBondContact O-N 3.44Å; Y308-R471 HydrophobicContact CD2-CG 4.05Å; Y308-R471 HydrophobicContact CE2-CG 3.38Å; D400-R471 WeakPolarHBondContact CA-O 3.34Å; P401-R471 WeakPolarHBondContact CD-O 3.37Å; Y402-R471 PolarHBondContact OH-NH2 3.27Å; I420-R471 VanDerWaalsContact CD1-O 3.27Å; I420-R471 WeakPolarHBondContact CD1-O 3.37Å
472	R	96.7	Very high	94.6	Very high	1 Å²	1	20.9 Å²	20.9	0%	0.004	11%	0.105	C	C	.	.			trans	-114.7	136.3	-178.6	-169.5	162.3	-71.8	-178.6	3.9	110.8	Q255 N259 T262 L306 F339 F398 Y399 D400	Q255-R472 VanDerWaalsContact OE1-CZ 3.29Å; N259-R472 WeakPolarHBondContact OD1-CD 3.46Å; N259-R472 PolarHBondContact OD1-NH1 2.87Å; T262-R472 HydrophobicContact CG2-CB 4.23Å; T262-R472 HydrophobicContact CG2-CG 4.04Å; L306-R472 HydrophobicContact CD2-CB 3.56Å; L306-R472 HydrophobicContact CD2-CG 4.48Å; F339-R472 VanDerWaalsContact CE2-NH2 3.27Å; F398-R472 HydrophobicContact CB-CG 3.99Å; F398-R472 HydrophobicContact CD1-CG 4.26Å; Y399-R472 WeakPolarHBondContact O-CA 3.49Å; D400-R472 WeakPolarHBondContact OD1-CA 3.35Å; D400-R472 WeakPolarHBondContact OD1-CB 3.36Å; D400-R472 VanDerWaalsContact OD1-CG 3.3Å; D400-R472 WeakPolarHBondContact OD1-CG 3.32Å; D400-R472 IonicContact OD1-CZ 2.78Å; D400-R472 IonicContact OD1-NE 2.75Å; D400-R472 PolarHBondContact OD1-NE 2.67Å; D400-R472 IonicContact OD1-NH2 2.9Å; D400-R472 PolarHBondContact OD1-NH2 3.36Å; D400-R472 IonicContact OD2-CZ 3.56Å; D400-R472 IonicContact OD2-NE 3.48Å; D400-R472 IonicContact OD2-NH2 3.33Å; D400-R472 PolarHBondContact OD2-NH2 3.2Å
473	L	97	Very high	94.4	Very high	2 Å²	2	21 Å²	21	1%	0.01	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	168.6	172.2	60	79.6	0	0	0	111.4	L357 F398 Y399 I420 M475 I519 I521	L357-L473 HydrophobicContact CD2-CD1 4.14Å; F398-L473 CarbonylContact C-O 3.58Å; F398-L473 WeakPolarHBondContact CA-O 3.35Å; Y399-L473 HydrophobicContact CD2-CD1 3.97Å; Y399-L473 HydrophobicContact CG-CD1 4.47Å; Y399-L473 PolarHBondContact N-O 2.99Å; Y399-L473 PolarHBondContact O-N 3.22Å; I420-L473 HydrophobicContact CD1-CB 3.98Å; I420-L473 HydrophobicContact CD1-CD2 3.78Å; I420-L473 HydrophobicContact CD1-CG 3.96Å; I420-L473 HydrophobicContact CG1-CD2 4.28Å; L473-M475 HydrophobicContact CD1-SD 4.36Å; L473-I519 HydrophobicContact CD2-CD1 4.48Å; L473-I519 HydrophobicContact CD2-CG2 4Å; L473-I521 HydrophobicContact CB-CD1 4.12Å; L473-I521 HydrophobicContact CD2-CD1 4.33Å
474	F	97	Very high	94	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	159.9	167.1	60.5	-93.9	0	0	0	109.1	T262 L263 L265 L396 F398 D477 R494 Y523	T262-F474 HydrophobicContact CG2-CD1 3.94Å; T262-F474 HydrophobicContact CG2-CE1 4.35Å; L263-F474 HydrophobicContact CD2-CD1 4.34Å; L263-F474 HydrophobicContact CD2-CE1 4.27Å; L265-F474 HydrophobicContact CD2-CE1 4.11Å; L265-F474 HydrophobicContact CD2-CZ 3.95Å; L396-F474 HydrophobicContact CD1-CB 3.9Å; L396-F474 HydrophobicContact CD1-CD2 4.46Å; L396-F474 HydrophobicContact CD1-CG 4.26Å; F398-F474 HydrophobicContact CD1-CB 4.22Å; F398-F474 HydrophobicContact CE1-CB 4.35Å; F398-F474 HydrophobicContact CE1-CD1 4.24Å; F474-D477 HydrophobicContact CD2-CB 3.79Å; F474-D477 HydrophobicContact CE2-CB 3.41Å; F474-D477 VanDerWaalsContact CE2-CB 3.41Å; F474-D477 HydrophobicContact CZ-CB 4.01Å; F474-R494 HydrophobicContact CE2-CB 4.46Å; F474-Y523 HydrophobicContact CD1-CE1 4.49Å; F474-Y523 AromaticContact CD2-CE1 3.8Å; F474-Y523 HydrophobicContact CD2-CE1 3.8Å; F474-Y523 HydrophobicContact CE1-CE1 4.14Å; F474-Y523 AromaticContact CE2-CD1 3.9Å; F474-Y523 HydrophobicContact CE2-CD1 3.9Å; F474-Y523 AromaticContact CE2-CE1 3.37Å; F474-Y523 HydrophobicContact CE2-CE1 3.37Å; F474-Y523 HydrophobicContact CG-CE1 4.34Å; F474-Y523 HydrophobicContact CZ-CD1 4.04Å; F474-Y523 AromaticContact CZ-CE1 3.56Å; F474-Y523 HydrophobicContact CZ-CE1 3.56Å; F474-Y523 AromaticContact CZ-CZ 3.91Å; F474-Y523 PolarHBondContact N-OH 2.78Å; F474-Y523 WeakPolarHBondContact O-CE1 3.4Å; F474-Y523 PolarHBondContact O-OH 3.12Å; F474-Y523 VanDerWaalsContact O-OH 3.05Å
475	M	95.6	Very high	93.2	Very high	17 Å²	17	27.1 Å²	27.1	8%	0.084	14%	0.141	C	C	.	.	S	Bend	trans	-91.8	-48.8	-178.8	-64.6	-58.3	-59.1	0	0	112.2	L357 L359 Y399 L473 Y495 A496 I499	L357-M475 HydrophobicContact CD2-SD 4.21Å; L357-M475 VanDerWaalsContact O-CE 3.31Å; L357-M475 WeakPolarHBondContact O-CE 3.31Å; L359-M475 HydrophobicContact CD1-CE 4.35Å; L359-M475 HydrophobicContact CD2-CB 4.07Å; L359-M475 HydrophobicContact CD2-CE 3.94Å; L359-M475 HydrophobicContact CG-CE 3.66Å; Y399-M475 HydrophobicContact CD2-CG 4.38Å; Y399-M475 HydrophobicContact CE2-CG 3.96Å; L473-M475 HydrophobicContact CD1-SD 4.36Å; M475-Y495 CarbonylContact O-C 3.53Å; M475-Y495 WeakPolarHBondContact O-CA 3.32Å; M475-A496 HydrophobicContact CE-CB 4.35Å; M475-A496 PolarHBondContact O-N 3.33Å; M475-I499 HydrophobicContact CE-CD1 3.53Å; M475-I499 HydrophobicContact SD-CD1 3.56Å; M475-I499 VanDerWaalsContact SD-CD1 3.56Å
476	V	96.1	Very high	92.3	Very high	3 Å²	3	32 Å²	32	2%	0.018	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	128.9	178.6	-175.4	0	0	0	0	108.4	L359 L388 Y394 L396 N478 V493	L359-V476 HydrophobicContact CD1-CG2 4.3Å; L359-V476 HydrophobicContact CD2-CG2 3.81Å; L388-V476 HydrophobicContact CB-CG1 4.35Å; L388-V476 HydrophobicContact CD2-CG1 4.38Å; L388-V476 HydrophobicContact CD2-CG2 3.89Å; Y394-V476 HydrophobicContact CD1-CG2 4.17Å; Y394-V476 HydrophobicContact CG-CG2 4.18Å; L396-V476 WeakPolarHBondContact CD1-O 3.04Å; V476-N478 HydrophobicContact CG1-CB 4.49Å; V476-V493 HydrophobicContact CG1-CG1 4.04Å
477	D	95.8	Very high	91.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	100.2	171.4	167.2	34.8	0	0	0	109.7	L263 L396 F474 F479 S480 V493 R494	L263-D477 HydrophobicContact CD2-CB 3.99Å; L396-D477 HydrophobicContact CD1-CB 4.43Å; F474-D477 HydrophobicContact CD2-CB 3.79Å; F474-D477 HydrophobicContact CE2-CB 3.41Å; F474-D477 VanDerWaalsContact CE2-CB 3.41Å; F474-D477 HydrophobicContact CZ-CB 4.01Å; D477-F479 PolarHBondContact OD1-N 3Å; D477-F479 VanDerWaalsContact OD1-N 3.14Å; D477-S480 VanDerWaalsContact CG-OG 3.23Å; D477-S480 WeakPolarHBondContact OD1-CB 3.15Å; D477-S480 PolarHBondContact OD1-N 2.85Å; D477-S480 PolarHBondContact OD1-OG 3.31Å; D477-S480 WeakPolarHBondContact OD2-CB 3.34Å; D477-S480 PolarHBondContact OD2-OG 2.84Å; D477-V493 WeakPolarHBondContact O-CA 3.48Å; D477-R494 HydrophobicContact CB-CB 4.36Å; D477-R494 PolarHBondContact N-O 3.44Å; D477-R494 PolarHBondContact O-N 3.49Å; D477-R494 IonicContact OD2-CZ 3.21Å; D477-R494 VanDerWaalsContact OD2-CZ 3.3Å; D477-R494 IonicContact OD2-NE 3.18Å; D477-R494 PolarHBondContact OD2-NE 3.37Å; D477-R494 VanDerWaalsContact OD2-NE 3.08Å; D477-R494 IonicContact OD2-NH2 2.85Å; D477-R494 PolarHBondContact OD2-NH2 3.28Å
478	N	93.2	Very high	90.6	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.189	C	C	.	.			trans	-112.4	17.3	174	52	19	0	0	0	111.7	L388 N391 Y394 V476 K482 P490 V493	L388-N478 WeakPolarHBondContact O-CB 3.38Å; L388-N478 PolarHBondContact O-ND2 3.42Å; N391-N478 WeakPolarHBondContact CA-ND2 3.37Å; N391-N478 VanDerWaalsContact CG-CG 3.48Å; N391-N478 WeakPolarHBondContact OD1-CB 3.42Å; N391-N478 PolarHBondContact OD1-ND2 3.25Å; N391-N478 PolarHBondContact OD1-O 3.01Å; N391-N478 PolarHBondContact OD1-OD1 2.81Å; Y394-N478 PolarHBondContact O-ND2 3.38Å; V476-N478 HydrophobicContact CG1-CB 4.49Å; N478-K482 VanDerWaalsContact O-CE 3.28Å; N478-K482 WeakPolarHBondContact O-CE 3.48Å; N478-P490 HydrophobicContact CB-CG 4.35Å; N478-V493 HydrophobicContact CB-CG2 4.29Å
479	F	90.3	Very high	90.3	Very high	59 Å²	59	36.6 Å²	36.6	26%	0.259	19%	0.194	S	C	.	.	S	Bend	trans	-115	-44.8	-175.3	-151.6	-77.1	0	0	0	112	Y232 I341 L396 D477 G481 K482	Y232-F479 HydrophobicContact CD1-CD1 4.24Å; Y232-F479 HydrophobicContact CD1-CE1 4.23Å; Y232-F479 HydrophobicContact CD2-CD1 4.09Å; Y232-F479 AromaticContact CD2-CE1 3.29Å; Y232-F479 HydrophobicContact CD2-CE1 3.29Å; Y232-F479 HydrophobicContact CD2-CZ 4.09Å; Y232-F479 AromaticContact CE2-CE1 3.85Å; Y232-F479 HydrophobicContact CE2-CE1 3.85Å; Y232-F479 HydrophobicContact CE2-CZ 4.35Å; Y232-F479 AromaticContact CG-CD1 3.81Å; Y232-F479 HydrophobicContact CG-CD1 3.81Å; Y232-F479 AromaticContact CG-CE1 3.47Å; Y232-F479 HydrophobicContact CG-CE1 3.47Å; Y232-F479 VanDerWaalsContact CG-CE1 3.47Å; I341-F479 HydrophobicContact CD1-CB 3.97Å; I341-F479 HydrophobicContact CD1-CD1 3.32Å; I341-F479 HydrophobicContact CD1-CD2 4.1Å; I341-F479 HydrophobicContact CD1-CE1 3.8Å; I341-F479 HydrophobicContact CD1-CE2 4.49Å; I341-F479 HydrophobicContact CD1-CG 3.5Å; I341-F479 HydrophobicContact CD1-CZ 4.35Å; L396-F479 HydrophobicContact CD2-CB 3.63Å; L396-F479 HydrophobicContact CD2-CG 4.49Å; D477-F479 PolarHBondContact OD1-N 3Å; D477-F479 VanDerWaalsContact OD1-N 3.14Å; F479-G481 VanDerWaalsContact C-N 3.31Å; F479-G481 PolarHBondContact O-N 3.33Å; F479-K482 PolarHBondContact O-N 3.1Å
480	S	92.1	Very high	90.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-32.4	-173.7	81	0	0	0	0	112.5	S230 D477 K482 R494	S230-S480 WeakPolarHBondContact CB-O 3.11Å; S230-S480 PolarHBondContact OG-O 2.94Å; D477-S480 VanDerWaalsContact CG-OG 3.23Å; D477-S480 WeakPolarHBondContact OD1-CB 3.15Å; D477-S480 PolarHBondContact OD1-N 2.85Å; D477-S480 PolarHBondContact OD1-OG 3.31Å; D477-S480 WeakPolarHBondContact OD2-CB 3.34Å; D477-S480 PolarHBondContact OD2-OG 2.84Å; S480-K482 PolarHBondContact O-N 3.21Å; S480-R494 PolarHBondContact OG-NH2 2.92Å; S480-R494 VanDerWaalsContact OG-NH2 3.08Å
481	G	91.8	Very high	90	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	6.2	-179.8	0	0	0	0	0	115.8	F479 Q491 L492	F479-G481 VanDerWaalsContact C-N 3.31Å; F479-G481 PolarHBondContact O-N 3.33Å; G481-Q491 PolarHBondContact O-N 2.83Å; G481-L492 WeakPolarHBondContact CA-O 3.35Å
482	K	92.2	Very high	90	Very high	36 Å²	36	40.6 Å²	40.6	16%	0.157	21%	0.213	C	C	.	.			trans	-80.7	121.4	176.1	-64.8	-176.5	-179.2	178.1	0	110.5	K231 N391 N478 F479 S480 K488 P490	K231-K482 WeakPolarHBondContact CB-O 3.28Å; K231-K482 PolarHBondContact N-O 2.91Å; N391-K482 PolarHBondContact ND2-NZ 3.05Å; N478-K482 VanDerWaalsContact O-CE 3.28Å; N478-K482 WeakPolarHBondContact O-CE 3.48Å; F479-K482 PolarHBondContact O-N 3.1Å; S480-K482 PolarHBondContact O-N 3.21Å; K482-K488 WeakPolarHBondContact CE-O 3.31Å; K482-P490 HydrophobicContact CG-CB 3.81Å
483	T	89.7	Confident	89.9	Confident	57 Å²	57	40.6 Å²	40.6	35%	0.35	21%	0.213	S	C	.	.	S	Bend	trans	-90.9	-12.2	178.3	52	0	0	0	0	113.5	I228 Q491	I228-T483 HydrophobicContact CG2-CG2 3.53Å; T483-Q491 HydrophobicContact CG2-CG 4.32Å; T483-Q491 VanDerWaalsContact CG2-OE1 3.32Å; T483-Q491 PolarHBondContact OG1-NE2 3.11Å
484	S	86.7	Confident	89.9	Confident	44 Å²	44	40.5 Å²	40.5	31%	0.308	21%	0.213	S	C	.	.			trans	-139	153.5	176.7	178.5	0	0	0	0	110.9	I486 S487	S484-I486 VanDerWaalsContact C-N 3.25Å; S484-I486 PolarHBondContact OG-N 2.7Å; S484-S487 PolarHBondContact O-OG 3.34Å
485	T	78.1	Confident	89.9	Confident	112 Å²	112	41 Å²	41	69%	0.687	22%	0.215	S	C	*	.	S	Bend	trans	-71.7	-21.6	172	43.4	0	0	0	0	112.5	K231	K231-T485 HydrophobicContact CG-CG2 3.79Å
486	I	78.2	Confident	90	Very high	149 Å²	149	40.3 Å²	40.3	76%	0.764	21%	0.211	S	C	*	.	S	Bend	trans	-86.9	-32	-176.7	-54.3	171.1	0	0	0	111.1	S484 K488	S484-I486 VanDerWaalsContact C-N 3.25Å; S484-I486 PolarHBondContact OG-N 2.7Å; I486-K488 PolarHBondContact O-N 2.81Å
487	S	74.9	Confident	90	Very high	39 Å²	39	41 Å²	41	27%	0.273	22%	0.217	S	C	.	.			trans	-68.4	117.8	-177.3	56.8	0	0	0	0	110.8	S484 V489	S484-S487 PolarHBondContact O-OG 3.34Å; S487-V489 VanDerWaalsContact C-N 3.35Å
488	K	77.8	Confident	90.1	Very high	190 Å²	190	42.6 Å²	42.6	83%	0.826	23%	0.225	S	C	*	.	S	Bend	trans	-65.8	-38.8	174.4	-70.8	-169.6	175.1	-172	0	112.1	K482 I486	K482-K488 WeakPolarHBondContact CE-O 3.31Å; I486-K488 PolarHBondContact O-N 2.81Å
489	V	87.4	Confident	90.3	Very high	47 Å²	47	42.7 Å²	42.7	29%	0.285	23%	0.226	S	C	.	.	S	Bend	trans	-96.6	125.4	-173.4	-172	0	0	0	0	110.5	F389 S487 A528 Y532	F389-V489 HydrophobicContact CD1-CG1 3.59Å; F389-V489 HydrophobicContact CE1-CG1 4.18Å; F389-V489 HydrophobicContact CG-CG1 4.41Å; S487-V489 VanDerWaalsContact C-N 3.35Å; V489-A528 HydrophobicContact CG1-CB 4.34Å; V489-Y532 HydrophobicContact CG1-CD1 4.02Å; V489-Y532 HydrophobicContact CG1-CD2 4.1Å; V489-Y532 HydrophobicContact CG1-CE1 4.06Å; V489-Y532 HydrophobicContact CG1-CE2 4.12Å; V489-Y532 HydrophobicContact CG1-CG 4.03Å; V489-Y532 HydrophobicContact CG2-CE1 3.8Å; V489-Y532 HydrophobicContact CG2-CE2 4.39Å
490	P	92.4	Very high	90.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.			trans	-68.2	148.7	172.5	29.2	-35.9	0	0	0	111.7	F389 N478 K482 V493 A528	F389-P490 HydrophobicContact CD1-CG 3.77Å; F389-P490 HydrophobicContact CE1-CG 4.33Å; F389-P490 WeakPolarHBondContact CE1-O 3.33Å; N478-P490 HydrophobicContact CB-CG 4.35Å; K482-P490 HydrophobicContact CG-CB 3.81Å; P490-V493 HydrophobicContact CB-CG2 4.43Å; P490-V493 HydrophobicContact CG-CG2 3.56Å; P490-A528 WeakPolarHBondContact O-CB 3.19Å
491	Q	93	Very high	90.9	Very high	96 Å²	96	42 Å²	42	45%	0.449	22%	0.223	S	C	.	.	S	Bend	trans	-73.2	-30.8	175.7	-71.1	-175.1	-8.8	0	0	112.7	I228 G481 T483 Y527 A528	I228-Q491 HydrophobicContact CD1-CB 4.06Å; G481-Q491 PolarHBondContact O-N 2.83Å; T483-Q491 HydrophobicContact CG2-CG 4.32Å; T483-Q491 VanDerWaalsContact CG2-OE1 3.32Å; T483-Q491 PolarHBondContact OG1-NE2 3.11Å; Q491-Y527 WeakPolarHBondContact O-CA 3.02Å; Q491-A528 PolarHBondContact O-N 2.93Å
492	L	94.2	Very high	91.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	131.8	179	170.5	71	0	0	0	109.5	P218 I228 G481 R494 N525 F526 Y527	P218-L492 HydrophobicContact CB-CD1 4.49Å; P218-L492 HydrophobicContact CB-CD2 4.43Å; P218-L492 HydrophobicContact CG-CD2 4.15Å; I228-L492 HydrophobicContact CD1-CB 3.26Å; I228-L492 HydrophobicContact CD1-CD2 3.98Å; I228-L492 HydrophobicContact CD1-CG 4.22Å; G481-L492 WeakPolarHBondContact CA-O 3.35Å; L492-R494 HydrophobicContact CD1-CG 4.34Å; L492-R494 HydrophobicContact CD2-CG 4.29Å; L492-R494 HydrophobicContact CG-CG 4.16Å; L492-N525 HydrophobicContact CD1-CB 3.84Å; L492-F526 WeakPolarHBondContact CA-O 3.47Å; L492-Y527 HydrophobicContact CD1-CD1 4.22Å; L492-Y527 HydrophobicContact CD1-CE1 3.9Å
493	V	95.6	Very high	91.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	133.7	169.1	174	0	0	0	0	108.4	L388 F389 V476 D477 N478 P490 N525 F526	L388-V493 HydrophobicContact CB-CG1 4.22Å; F389-V493 HydrophobicContact CD1-CG2 3.47Å; F389-V493 VanDerWaalsContact CD1-CG2 3.47Å; F389-V493 HydrophobicContact CD2-CG2 4.16Å; F389-V493 HydrophobicContact CE1-CB 4.4Å; F389-V493 HydrophobicContact CE1-CG2 3.48Å; F389-V493 VanDerWaalsContact CE1-CG2 3.48Å; F389-V493 HydrophobicContact CE2-CG2 4.17Å; F389-V493 HydrophobicContact CG-CG2 3.82Å; F389-V493 HydrophobicContact CZ-CB 4.33Å; F389-V493 HydrophobicContact CZ-CG2 3.85Å; V476-V493 HydrophobicContact CG1-CG1 4.04Å; D477-V493 WeakPolarHBondContact O-CA 3.48Å; N478-V493 HydrophobicContact CB-CG2 4.29Å; P490-V493 HydrophobicContact CB-CG2 4.43Å; P490-V493 HydrophobicContact CG-CG2 3.56Å; V493-N525 CarbonylContact O-C 3.58Å; V493-N525 WeakPolarHBondContact O-CA 3.37Å; V493-F526 HydrophobicContact CB-CB 4.42Å; V493-F526 PolarHBondContact N-O 3.46Å; V493-F526 PolarHBondContact O-N 2.85Å
494	R	96.3	Very high	91.3	Very high	1 Å²	1	42.7 Å²	42.7	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.1	174.6	-63.7	176	-66.2	171.6	9.3	109.1	V216 L217 L263 F474 D477 S480 L492 S524 N525	V216-R494 VanDerWaalsContact CG1-NH1 3.26Å; L217-R494 PolarHBondContact O-NH1 3.2Å; L263-R494 PolarHBondContact O-NH1 2.82Å; L263-R494 PolarHBondContact O-NH2 3.21Å; F474-R494 HydrophobicContact CE2-CB 4.46Å; D477-R494 HydrophobicContact CB-CB 4.36Å; D477-R494 PolarHBondContact N-O 3.44Å; D477-R494 PolarHBondContact O-N 3.49Å; D477-R494 IonicContact OD2-CZ 3.21Å; D477-R494 VanDerWaalsContact OD2-CZ 3.3Å; D477-R494 IonicContact OD2-NE 3.18Å; D477-R494 PolarHBondContact OD2-NE 3.37Å; D477-R494 VanDerWaalsContact OD2-NE 3.08Å; D477-R494 IonicContact OD2-NH2 2.85Å; D477-R494 PolarHBondContact OD2-NH2 3.28Å; S480-R494 PolarHBondContact OG-NH2 2.92Å; S480-R494 VanDerWaalsContact OG-NH2 3.08Å; L492-R494 HydrophobicContact CD1-CG 4.34Å; L492-R494 HydrophobicContact CD2-CG 4.29Å; L492-R494 HydrophobicContact CG-CG 4.16Å; R494-S524 WeakPolarHBondContact CA-O 3.28Å; R494-N525 WeakPolarHBondContact CG-OD1 3.42Å
495	Y	96.5	Very high	91.4	Very high	11 Å²	11	40.7 Å²	40.7	4%	0.043	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	155.5	-177.2	70.1	-74.6	0	0	0	110.7	L359 L388 M475 S497 Y523 S524 F526 V538 I540	L359-Y495 HydrophobicContact CD1-CD2 4.44Å; L388-Y495 HydrophobicContact CD1-CD1 4.38Å; L388-Y495 HydrophobicContact CD1-CD2 4.39Å; L388-Y495 HydrophobicContact CD1-CG 4.18Å; M475-Y495 CarbonylContact O-C 3.53Å; M475-Y495 WeakPolarHBondContact O-CA 3.32Å; Y495-S497 PolarHBondContact O-N 3.43Å; Y495-S497 VanDerWaalsContact O-N 3.15Å; Y495-Y523 VanDerWaalsContact O-CA 3.31Å; Y495-Y523 WeakPolarHBondContact O-CA 3.3Å; Y495-S524 WeakPolarHBondContact CD1-O 3.19Å; Y495-S524 PolarHBondContact N-O 2.69Å; Y495-S524 PolarHBondContact O-N 3.03Å; Y495-F526 AromaticContact CD1-CD2 3.7Å; Y495-F526 HydrophobicContact CD1-CD2 3.7Å; Y495-F526 AromaticContact CD1-CE2 3.53Å; Y495-F526 HydrophobicContact CD1-CE2 3.53Å; Y495-F526 HydrophobicContact CD1-CZ 4.48Å; Y495-F526 AromaticContact CE1-CD2 3.46Å; Y495-F526 HydrophobicContact CE1-CD2 3.46Å; Y495-F526 VanDerWaalsContact CE1-CD2 3.46Å; Y495-F526 HydrophobicContact CE1-CE1 4.42Å; Y495-F526 AromaticContact CE1-CE2 2.99Å; Y495-F526 HydrophobicContact CE1-CE2 2.99Å; Y495-F526 HydrophobicContact CE1-CG 4.34Å; Y495-F526 AromaticContact CE1-CZ 3.55Å; Y495-F526 HydrophobicContact CE1-CZ 3.55Å; Y495-F526 HydrophobicContact CE2-CE2 4.32Å; Y495-F526 HydrophobicContact CG-CE2 4.39Å; Y495-F526 AromaticContact CZ-CE2 3.46Å; Y495-F526 VanDerWaalsContact CZ-CE2 3.46Å; Y495-F526 AromaticContact CZ-CZ 3.68Å; Y495-F526 WeakPolarHBondContact OH-CZ 3.36Å; Y495-V538 VanDerWaalsContact OH-CG2 3.31Å; Y495-V538 WeakPolarHBondContact OH-CG2 3.33Å; Y495-I540 HydrophobicContact CD2-CD1 3.99Å; Y495-I540 HydrophobicContact CD2-CG1 4.07Å; Y495-I540 HydrophobicContact CE2-CD1 3.93Å; Y495-I540 HydrophobicContact CE2-CG1 3.66Å
496	A	97.2	Very high	91.9	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.008	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	99.7	174.8	0	0	0	0	0	109.5	M475 I499 I521 D522 Y523	M475-A496 HydrophobicContact CE-CB 4.35Å; M475-A496 PolarHBondContact O-N 3.33Å; A496-I499 HydrophobicContact CB-CD1 3.84Å; A496-I499 HydrophobicContact CB-CG1 3.95Å; A496-I521 HydrophobicContact CB-CD1 3.81Å; A496-I521 HydrophobicContact CB-CG1 4.11Å; A496-D522 CarbonylContact C-O 3.6Å; A496-D522 WeakPolarHBondContact CA-O 3.43Å; A496-Y523 HydrophobicContact CB-CE1 4.31Å
497	S	96.7	Very high	91.8	Very high	19 Å²	19	32.2 Å²	32.2	13%	0.133	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-32.3	-178.8	56.6	0	0	0	0	112.2	Y495 D522 S524 I540 T541	Y495-S497 PolarHBondContact O-N 3.43Å; Y495-S497 VanDerWaalsContact O-N 3.15Å; S497-D522 PolarHBondContact N-O 2.83Å; S497-D522 PolarHBondContact OG-O 3.09Å; S497-S524 WeakPolarHBondContact CB-OG 3.17Å; S497-S524 PolarHBondContact OG-OG 2.79Å; S497-I540 WeakPolarHBondContact O-CA 3.16Å; S497-T541 PolarHBondContact O-N 2.9Å
498	N	97.9	Very high	91.3	Very high	33 Å²	33	32.6 Å²	32.6	18%	0.176	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	129	173.5	175.9	60.9	0	0	0	111.1	I521 D522 T541	N498-I521 WeakPolarHBondContact O-CA 3.21Å; N498-D522 HydrophobicContact CB-CB 4.09Å; N498-D522 PolarHBondContact N-O 2.95Å; N498-D522 PolarHBondContact ND2-OD2 3.14Å; N498-D522 PolarHBondContact O-N 3.44Å; N498-T541 VanDerWaalsContact CA-O 3.31Å; N498-T541 WeakPolarHBondContact CA-O 3.35Å
499	I	97.8	Very high	90.3	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.015	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.8	169.7	-63.9	-178.7	0	0	0	108.4	M475 A496 I519 K520 I521 T541 F542 S543	M475-I499 HydrophobicContact CE-CD1 3.53Å; M475-I499 HydrophobicContact SD-CD1 3.56Å; M475-I499 VanDerWaalsContact SD-CD1 3.56Å; A496-I499 HydrophobicContact CB-CD1 3.84Å; A496-I499 HydrophobicContact CB-CG1 3.95Å; I499-I519 HydrophobicContact CG2-CG2 4.23Å; I499-K520 WeakPolarHBondContact CA-O 3.5Å; I499-I521 HydrophobicContact CD1-CD1 4.16Å; I499-I521 HydrophobicContact CG1-CD1 4.12Å; I499-I521 HydrophobicContact CG1-CG1 4.06Å; I499-T541 PolarHBondContact N-O 2.77Å; I499-F542 HydrophobicContact CB-CD2 3.88Å; I499-F542 HydrophobicContact CB-CE2 4.46Å; I499-F542 HydrophobicContact CG2-CD2 3.8Å; I499-F542 HydrophobicContact CG2-CE2 3.87Å; I499-F542 CarbonylContact O-C 3.49Å; I499-F542 WeakPolarHBondContact O-CA 3.37Å; I499-S543 PolarHBondContact O-N 3.16Å
500	E	97.5	Very high	89.2	Confident	43 Å²	43	31.8 Å²	31.8	20%	0.201	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	119.9	175.5	178	-173.4	-175	0	0	109.4	I519 K520 S543 T545	E500-I519 CarbonylContact O-C 3.58Å; E500-I519 WeakPolarHBondContact O-CA 3.4Å; E500-K520 HydrophobicContact CB-CB 4.27Å; E500-K520 PolarHBondContact N-O 3.11Å; E500-K520 PolarHBondContact O-N 2.67Å; E500-S543 CarbonylContact C-O 3.55Å; E500-S543 WeakPolarHBondContact CA-O 3.49Å; E500-T545 HydrophobicContact CG-CG2 4.21Å; E500-T545 PolarHBondContact OE1-OG1 3.43Å
501	I	97	Very high	88.4	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	108.4	167.7	-57.6	174.7	0	0	0	107	I334 L357 F371 V503 P517 I519 F542 S543 V544 T545	I334-I501 HydrophobicContact CD1-CD1 4.1Å; I334-I501 HydrophobicContact CD1-CG2 4.48Å; L357-I501 HydrophobicContact CD1-CD1 4.32Å; F371-I501 HydrophobicContact CE1-CD1 4.06Å; I501-V503 HydrophobicContact CG2-CG2 4.4Å; I501-P517 HydrophobicContact CG2-CB 4Å; I501-I519 HydrophobicContact CG1-CG1 4.04Å; I501-F542 HydrophobicContact CD1-CE2 4.22Å; I501-F542 HydrophobicContact CD1-CZ 3.91Å; I501-S543 PolarHBondContact N-O 3.33Å; I501-V544 HydrophobicContact CB-CB 4.49Å; I501-V544 HydrophobicContact CB-CG1 4.22Å; I501-V544 HydrophobicContact CB-CG2 4.1Å; I501-V544 HydrophobicContact CD1-CG2 4.17Å; I501-V544 HydrophobicContact CG1-CG2 4.45Å; I501-V544 HydrophobicContact CG2-CG1 4.39Å; I501-V544 CarbonylContact O-C 3.48Å; I501-V544 VanDerWaalsContact O-CA 3.32Å; I501-V544 WeakPolarHBondContact O-CA 3.43Å; I501-T545 PolarHBondContact O-N 3.48Å
502	K	95.9	Very high	87.8	Confident	77 Å²	77	31.4 Å²	31.4	34%	0.335	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	120.7	177.9	-177	176.9	179.5	179.4	0	110.2	P517 I518 T545 S547	K502-P517 WeakPolarHBondContact O-CA 3.08Å; K502-I518 HydrophobicContact CB-CG2 3.82Å; K502-I518 PolarHBondContact N-O 2.85Å; K502-I518 PolarHBondContact O-N 3.16Å; K502-T545 WeakPolarHBondContact CA-O 3.43Å; K502-S547 WeakPolarHBondContact CE-OG 3.5Å
503	V	94.5	Very high	87.6	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.5	176.8	-177.3	0	0	0	0	109.1	L332 F373 I501 I514 P517 T545 Y546 S547	L332-V503 HydrophobicContact CD2-CG2 4.12Å; F373-V503 HydrophobicContact CE2-CG1 4.16Å; I501-V503 HydrophobicContact CG2-CG2 4.4Å; V503-I514 HydrophobicContact CG1-CB 4.13Å; V503-I514 HydrophobicContact CG1-CD1 3.84Å; V503-I514 HydrophobicContact CG1-CG2 3.96Å; V503-P517 HydrophobicContact CG2-CB 4.28Å; V503-P517 HydrophobicContact CG2-CG 4.25Å; V503-T545 PolarHBondContact N-O 2.71Å; V503-Y546 HydrophobicContact CB-CD1 3.83Å; V503-Y546 HydrophobicContact CB-CE1 3.89Å; V503-Y546 HydrophobicContact CG1-CD1 4Å; V503-Y546 HydrophobicContact CG1-CE1 3.97Å; V503-Y546 HydrophobicContact CG2-CD1 4.5Å; V503-Y546 HydrophobicContact CG2-CE1 4.11Å; V503-Y546 WeakPolarHBondContact O-CA 3.27Å; V503-S547 PolarHBondContact O-N 3.03Å; V503-S547 PolarHBondContact O-OG 3.46Å
504	T	92.6	Very high	87.4	Confident	30 Å²	30	32.2 Å²	32.2	18%	0.184	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.8	-177.8	-51.4	0	0	0	0	110.4	I514 F515 S547	T504-I514 WeakPolarHBondContact O-CA 3.39Å; T504-I514 WeakPolarHBondContact O-CB 3.32Å; T504-F515 HydrophobicContact CG2-CD2 4.01Å; T504-F515 PolarHBondContact O-N 3.04Å; T504-S547 WeakPolarHBondContact CA-O 3.19Å; T504-S547 PolarHBondContact OG1-OG 3.4Å
505	S	88.9	Confident	87.1	Confident	3 Å²	3	33 Å²	33	2%	0.021	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-68.4	146.9	175.4	70	0	0	0	0	111.8	F515 S547 N635	S505-F515 WeakPolarHBondContact O-CE2 3.25Å; S505-S547 PolarHBondContact N-O 3.26Å; S505-N635 WeakPolarHBondContact CB-ND2 3.41Å; S505-N635 PolarHBondContact OG-ND2 2.71Å
506	Q	87.3	Confident	86.9	Confident	5 Å²	5	33 Å²	33	2%	0.023	19%	0.185	C	C	.	.			trans	-72.3	154.9	171.1	-63.1	-171.2	21.5	0	0	112.6	L322 S508 Q513 I514 F515 K552	L322-Q506 PolarHBondContact O-NE2 3.08Å; Q506-S508 VanDerWaalsContact C-N 3.29Å; Q506-S508 PolarHBondContact OE1-OG 3.12Å; Q506-Q513 HydrophobicContact CB-CB 4.41Å; Q506-Q513 HydrophobicContact CG-CB 4.2Å; Q506-Q513 PolarHBondContact N-O 3.36Å; Q506-I514 PolarHBondContact NE2-O 3.21Å; Q506-F515 HydrophobicContact CB-CE1 4.45Å; Q506-F515 HydrophobicContact CB-CE2 4.34Å; Q506-F515 HydrophobicContact CB-CZ 4.2Å; Q506-F515 HydrophobicContact CG-CD1 3.86Å; Q506-F515 HydrophobicContact CG-CD2 4.2Å; Q506-F515 HydrophobicContact CG-CE1 3.86Å; Q506-F515 HydrophobicContact CG-CE2 4.22Å; Q506-F515 HydrophobicContact CG-CG 4.04Å; Q506-F515 HydrophobicContact CG-CZ 4.05Å; Q506-K552 PolarHBondContact O-NZ 3.22Å
507	D	76	Confident	86.8	Confident	78 Å²	78	33 Å²	33	42%	0.417	19%	0.185	S	C	.	.			trans	-80	-12.2	171.3	-68.4	-47	0	0	0	112.8	S549	D507-S549 WeakPolarHBondContact OD1-CB 3.44Å; D507-S549 PolarHBondContact OD1-OG 3.12Å
508	S	65.2	Low	86.8	Confident	46 Å²	46	33 Å²	33	32%	0.322	18%	0.183	S	C	.	.	S	Bend	trans	-58.8	157.5	-170.7	-52.8	0	0	0	0	114.2	Q506 T510	Q506-S508 VanDerWaalsContact C-N 3.29Å; Q506-S508 PolarHBondContact OE1-OG 3.12Å; S508-T510 PolarHBondContact O-N 2.8Å
509	V	57.3	Low	86.8	Confident	147 Å²	147	31.4 Å²	31.4	89%	0.891	18%	0.175	S	C	*	.	S	Bend	trans	-62	-20.8	178.1	-166.4	0	0	0	0	113
510	T	64.4	Low	86.8	Confident	74 Å²	74	33.7 Å²	33.7	45%	0.454	19%	0.185	S	C	.	.	S	Bend	trans	-93.1	114.9	-178	51.1	0	0	0	0	111.2	S508 Q513	S508-T510 PolarHBondContact O-N 2.8Å; T510-Q513 VanDerWaalsContact OG1-CD 3.32Å; T510-Q513 PolarHBondContact OG1-OE1 3.16Å; T510-Q513 VanDerWaalsContact OG1-OE1 3.12Å
511	D	73.8	Confident	86.8	Confident	84 Å²	84	31.6 Å²	31.6	45%	0.449	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	141.8	-178.9	-56.3	-24.6	0	0	0	112.2	V631 L633	D511-V631 VanDerWaalsContact C-CG1 3.5Å; D511-V631 HydrophobicContact CB-CG1 3.92Å; D511-L633 HydrophobicContact CB-CD1 4.17Å; D511-L633 WeakPolarHBondContact OD1-CD1 3.39Å
512	G	81.5	Confident	86.9	Confident	3 Å²	3	33.1 Å²	33.1	3%	0.031	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	0.4	170.4	0	0	0	0	0	117.7	Y326 Y632	Y326-G512 PolarHBondContact N-O 2.98Å; G512-Y632 VanDerWaalsContact CA-O 3.23Å; G512-Y632 WeakPolarHBondContact CA-O 3.35Å; G512-Y632 PolarHBondContact N-O 3Å
513	Q	89	Confident	86.9	Confident	17 Å²	17	30.2 Å²	30.2	8%	0.079	17%	0.17	C	C	.	.			trans	-89.7	147	179.4	-67	-178.2	-4.8	0	0	112.3	K323 Q506 T510	K323-Q513 PolarHBondContact O-NE2 2.78Å; K323-Q513 VanDerWaalsContact O-NE2 3.15Å; Q506-Q513 HydrophobicContact CB-CB 4.41Å; Q506-Q513 HydrophobicContact CG-CB 4.2Å; Q506-Q513 PolarHBondContact N-O 3.36Å; T510-Q513 VanDerWaalsContact OG1-CD 3.32Å; T510-Q513 PolarHBondContact OG1-OE1 3.16Å; T510-Q513 VanDerWaalsContact OG1-OE1 3.12Å
514	I	91.4	Very high	87	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-119.9	152.5	177.6	67.7	180	0	0	0	110.6	L322 Y326 L332 F373 I403 V503 T504 Q506	L322-I514 HydrophobicContact CD2-CD1 3.89Å; L322-I514 HydrophobicContact CD2-CG1 3.48Å; L322-I514 VanDerWaalsContact CD2-CG1 3.48Å; L322-I514 HydrophobicContact CG-CG1 4.47Å; Y326-I514 HydrophobicContact CD2-CD1 3.99Å; Y326-I514 HydrophobicContact CD2-CG1 4.04Å; Y326-I514 HydrophobicContact CD2-CG2 4.33Å; Y326-I514 HydrophobicContact CE2-CD1 3.57Å; Y326-I514 HydrophobicContact CE2-CG1 3.72Å; L332-I514 HydrophobicContact CD1-CD1 4.17Å; F373-I514 HydrophobicContact CE2-CD1 4.04Å; F373-I514 HydrophobicContact CE2-CG2 3.82Å; F373-I514 HydrophobicContact CZ-CG2 3.73Å; I403-I514 HydrophobicContact CD1-CD1 4.28Å; V503-I514 HydrophobicContact CG1-CB 4.13Å; V503-I514 HydrophobicContact CG1-CD1 3.84Å; V503-I514 HydrophobicContact CG1-CG2 3.96Å; T504-I514 WeakPolarHBondContact O-CA 3.39Å; T504-I514 WeakPolarHBondContact O-CB 3.32Å; Q506-I514 PolarHBondContact NE2-O 3.21Å
515	F	91.7	Very high	87.2	Confident	19 Å²	19	32.6 Å²	32.6	8%	0.083	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-70	158.3	162.5	-64.5	-66.8	0	0	0	109.4	L317 K318 D319 T320 T504 S505 Q506	L317-F515 WeakPolarHBondContact O-CB 3.43Å; K318-F515 HydrophobicContact CB-CE1 4.29Å; D319-F515 WeakPolarHBondContact O-CD1 3.23Å; T320-F515 HydrophobicContact CG2-CE1 4Å; T504-F515 HydrophobicContact CG2-CD2 4.01Å; T504-F515 PolarHBondContact O-N 3.04Å; S505-F515 WeakPolarHBondContact O-CE2 3.25Å; Q506-F515 HydrophobicContact CB-CE1 4.45Å; Q506-F515 HydrophobicContact CB-CE2 4.34Å; Q506-F515 HydrophobicContact CB-CZ 4.2Å; Q506-F515 HydrophobicContact CG-CD1 3.86Å; Q506-F515 HydrophobicContact CG-CD2 4.2Å; Q506-F515 HydrophobicContact CG-CE1 3.86Å; Q506-F515 HydrophobicContact CG-CE2 4.22Å; Q506-F515 HydrophobicContact CG-CG 4.04Å; Q506-F515 HydrophobicContact CG-CZ 4.05Å
516	P	91.5	Very high	87.5	Confident	10 Å²	10	32.8 Å²	32.8	7%	0.065	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-49.7	128.8	170.8	-26.6	33.9	0	0	0	110.1	D319 I416	D319-P516 HydrophobicContact CB-CG 4.05Å; D319-P516 WeakPolarHBondContact O-CD 3.39Å; I416-P516 HydrophobicContact CG2-CB 4.2Å; I416-P516 HydrophobicContact CG2-CG 4.04Å
517	P	95.7	Very high	87.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-56.6	154.4	175.6	-23.9	33.5	0	0	0	110.6	I403 I418 P419 I501 K502 V503	I403-P517 HydrophobicContact CD1-CG 3.94Å; I418-P517 WeakPolarHBondContact CG2-O 3.41Å; P419-P517 WeakPolarHBondContact CD-O 3.36Å; I501-P517 HydrophobicContact CG2-CB 4Å; K502-P517 WeakPolarHBondContact O-CA 3.08Å; V503-P517 HydrophobicContact CG2-CB 4.28Å; V503-P517 HydrophobicContact CG2-CG 4.25Å
518	I	96.7	Very high	88.6	Confident	19 Å²	19	33.8 Å²	33.8	10%	0.097	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	135.1	170.7	-170.3	-178.8	0	0	0	109	L317 P419 R421 W467 L469 K502	L317-I518 HydrophobicContact CD1-CD1 4.26Å; L317-I518 HydrophobicContact CD2-CB 4.03Å; L317-I518 HydrophobicContact CD2-CD1 3.71Å; L317-I518 HydrophobicContact CD2-CG1 4.07Å; P419-I518 WeakPolarHBondContact O-CG1 3.5Å; R421-I518 HydrophobicContact CB-CD1 3.84Å; R421-I518 HydrophobicContact CB-CG1 4.36Å; W467-I518 HydrophobicContact CE3-CD1 4.46Å; W467-I518 HydrophobicContact CZ3-CD1 4.09Å; L469-I518 HydrophobicContact CD2-CD1 4.15Å; K502-I518 HydrophobicContact CB-CG2 3.82Å; K502-I518 PolarHBondContact N-O 2.85Å; K502-I518 PolarHBondContact O-N 3.16Å
519	I	97.9	Very high	89.8	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	112.9	170.7	-71.3	162.5	0	0	0	108	P401 I418 P419 I420 R421 L473 I499 E500 I501	P401-I519 HydrophobicContact CB-CD1 3.65Å; P401-I519 HydrophobicContact CG-CD1 3.52Å; I418-I519 HydrophobicContact CB-CD1 4.47Å; I418-I519 HydrophobicContact CG2-CB 4.39Å; I418-I519 HydrophobicContact CG2-CD1 3.56Å; I418-I519 HydrophobicContact CG2-CG1 3.69Å; P419-I519 PolarHBondContact O-N 3.1Å; I420-I519 CarbonylContact C-O 3.59Å; I420-I519 VanDerWaalsContact CA-O 3.28Å; I420-I519 WeakPolarHBondContact CA-O 3.27Å; I420-I519 HydrophobicContact CG1-CB 4.27Å; I420-I519 HydrophobicContact CG2-CG2 4.39Å; R421-I519 PolarHBondContact N-O 2.88Å; L473-I519 HydrophobicContact CD2-CD1 4.48Å; L473-I519 HydrophobicContact CD2-CG2 4Å; I499-I519 HydrophobicContact CG2-CG2 4.23Å; E500-I519 CarbonylContact O-C 3.58Å; E500-I519 WeakPolarHBondContact O-CA 3.4Å; I501-I519 HydrophobicContact CG1-CG1 4.04Å
520	K	97.6	Very high	91.4	Very high	51 Å²	51	35.4 Å²	35.4	22%	0.222	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	130.2	163.7	179.5	-164.1	167.4	-156.1	0	108	R421 I499 E500 D522	R421-K520 WeakPolarHBondContact O-CA 2.91Å; I499-K520 WeakPolarHBondContact CA-O 3.5Å; E500-K520 HydrophobicContact CB-CB 4.27Å; E500-K520 PolarHBondContact N-O 3.11Å; E500-K520 PolarHBondContact O-N 2.67Å; K520-D522 VanDerWaalsContact CE-OD2 3.27Å; K520-D522 WeakPolarHBondContact CE-OD2 2.99Å; K520-D522 IonicContact NZ-OD2 2.87Å; K520-D522 PolarHBondContact NZ-OD2 2.87Å
521	I	97.7	Very high	92.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.2	177.2	-174.3	162.4	0	0	0	110.4	I420 R421 N422 T423 L473 A496 N498 I499 Y523	I420-I521 HydrophobicContact CG2-CG2 3.56Å; R421-I521 PolarHBondContact O-N 3.39Å; N422-I521 HydrophobicContact CB-CG2 3.71Å; T423-I521 PolarHBondContact N-O 2.87Å; T423-I521 VanDerWaalsContact N-O 3.13Å; T423-I521 PolarHBondContact OG1-O 3.3Å; L473-I521 HydrophobicContact CB-CD1 4.12Å; L473-I521 HydrophobicContact CD2-CD1 4.33Å; A496-I521 HydrophobicContact CB-CD1 3.81Å; A496-I521 HydrophobicContact CB-CG1 4.11Å; N498-I521 WeakPolarHBondContact O-CA 3.21Å; I499-I521 HydrophobicContact CD1-CD1 4.16Å; I499-I521 HydrophobicContact CG1-CD1 4.12Å; I499-I521 HydrophobicContact CG1-CG1 4.06Å; I521-Y523 HydrophobicContact CD1-CE1 3.97Å; I521-Y523 HydrophobicContact CD1-CE2 3.86Å; I521-Y523 VanDerWaalsContact CD1-CZ 3.46Å; I521-Y523 WeakPolarHBondContact CD1-OH 3.28Å; I521-Y523 HydrophobicContact CG1-CD2 4.32Å; I521-Y523 HydrophobicContact CG1-CE1 4.45Å; I521-Y523 HydrophobicContact CG1-CE2 3.9Å; I521-Y523 HydrophobicContact CG2-CE2 4.07Å
522	D	97.6	Very high	93.7	Very high	32 Å²	32	33.2 Å²	33.2	17%	0.171	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.1	173.5	-56.9	-51.8	0	0	0	108.5	T423 A496 S497 N498 K520	T423-D522 WeakPolarHBondContact CB-OD1 3.26Å; T423-D522 WeakPolarHBondContact CG2-OD1 3.45Å; T423-D522 PolarHBondContact OG1-OD1 3.32Å; A496-D522 CarbonylContact C-O 3.6Å; A496-D522 WeakPolarHBondContact CA-O 3.43Å; S497-D522 PolarHBondContact N-O 2.83Å; S497-D522 PolarHBondContact OG-O 3.09Å; N498-D522 HydrophobicContact CB-CB 4.09Å; N498-D522 PolarHBondContact N-O 2.95Å; N498-D522 PolarHBondContact ND2-OD2 3.14Å; N498-D522 PolarHBondContact O-N 3.44Å; K520-D522 VanDerWaalsContact CE-OD2 3.27Å; K520-D522 WeakPolarHBondContact CE-OD2 2.99Å; K520-D522 IonicContact NZ-OD2 2.87Å; K520-D522 PolarHBondContact NZ-OD2 2.87Å
523	Y	97.6	Very high	94.1	Very high	16 Å²	16	35.7 Å²	35.7	6%	0.063	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	147.4	176	-71.4	-79.3	0	0	0	110.8	L265 N422 A424 F474 Y495 A496 I521	L265-Y523 HydrophobicContact CD2-CD2 4.04Å; L265-Y523 HydrophobicContact CD2-CE2 4.24Å; L265-Y523 HydrophobicContact CD2-CG 4.37Å; N422-Y523 WeakPolarHBondContact OD1-CD2 3.48Å; A424-Y523 HydrophobicContact CB-CD2 4.42Å; F474-Y523 HydrophobicContact CD1-CE1 4.49Å; F474-Y523 AromaticContact CD2-CE1 3.8Å; F474-Y523 HydrophobicContact CD2-CE1 3.8Å; F474-Y523 HydrophobicContact CE1-CE1 4.14Å; F474-Y523 AromaticContact CE2-CD1 3.9Å; F474-Y523 HydrophobicContact CE2-CD1 3.9Å; F474-Y523 AromaticContact CE2-CE1 3.37Å; F474-Y523 HydrophobicContact CE2-CE1 3.37Å; F474-Y523 HydrophobicContact CG-CE1 4.34Å; F474-Y523 HydrophobicContact CZ-CD1 4.04Å; F474-Y523 AromaticContact CZ-CE1 3.56Å; F474-Y523 HydrophobicContact CZ-CE1 3.56Å; F474-Y523 AromaticContact CZ-CZ 3.91Å; F474-Y523 PolarHBondContact N-OH 2.78Å; F474-Y523 WeakPolarHBondContact O-CE1 3.4Å; F474-Y523 PolarHBondContact O-OH 3.12Å; F474-Y523 VanDerWaalsContact O-OH 3.05Å; Y495-Y523 VanDerWaalsContact O-CA 3.31Å; Y495-Y523 WeakPolarHBondContact O-CA 3.3Å; A496-Y523 HydrophobicContact CB-CE1 4.31Å; I521-Y523 HydrophobicContact CD1-CE1 3.97Å; I521-Y523 HydrophobicContact CD1-CE2 3.86Å; I521-Y523 VanDerWaalsContact CD1-CZ 3.46Å; I521-Y523 WeakPolarHBondContact CD1-OH 3.28Å; I521-Y523 HydrophobicContact CG1-CD2 4.32Å; I521-Y523 HydrophobicContact CG1-CE1 4.45Å; I521-Y523 HydrophobicContact CG1-CE2 3.9Å; I521-Y523 HydrophobicContact CG2-CE2 4.07Å
524	S	96.5	Very high	94.2	Very high	40 Å²	40	42.1 Å²	42.1	28%	0.28	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	165	174.3	-62.4	0	0	0	0	110.9	R494 Y495 S497	R494-S524 WeakPolarHBondContact CA-O 3.28Å; Y495-S524 WeakPolarHBondContact CD1-O 3.19Å; Y495-S524 PolarHBondContact N-O 2.69Å; Y495-S524 PolarHBondContact O-N 3.03Å; S497-S524 WeakPolarHBondContact CB-OG 3.17Å; S497-S524 PolarHBondContact OG-OG 2.79Å
525	N	96	Very high	94.1	Very high	41 Å²	41	44.3 Å²	44.3	22%	0.219	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	143.8	-167.4	-52.1	-62	0	0	0	111.5	P218 A219 L492 V493 R494 Y527	P218-N525 WeakPolarHBondContact CA-OD1 3.05Å; P218-N525 HydrophobicContact CB-CB 4.48Å; A219-N525 PolarHBondContact N-ND2 3.3Å; A219-N525 PolarHBondContact N-OD1 2.94Å; A219-N525 PolarHBondContact O-ND2 3.39Å; L492-N525 HydrophobicContact CD1-CB 3.84Å; V493-N525 CarbonylContact O-C 3.58Å; V493-N525 WeakPolarHBondContact O-CA 3.37Å; R494-N525 WeakPolarHBondContact CG-OD1 3.42Å; N525-Y527 HydrophobicContact CB-CE2 4.37Å
526	F	95.3	Very high	94.2	Very high	7 Å²	7	47.8 Å²	47.8	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.9	163.8	-69	-57.1	0	0	0	110.8	V385 L388 F389 L492 V493 Y495 D531 V538	V385-F526 HydrophobicContact CG1-CB 4.31Å; V385-F526 HydrophobicContact CG1-CD1 3.91Å; V385-F526 HydrophobicContact CG1-CD2 3.82Å; V385-F526 HydrophobicContact CG1-CE1 4.16Å; V385-F526 HydrophobicContact CG1-CE2 4.05Å; V385-F526 HydrophobicContact CG1-CG 3.74Å; V385-F526 HydrophobicContact CG1-CZ 4.22Å; V385-F526 HydrophobicContact CG2-CD1 4.35Å; V385-F526 HydrophobicContact CG2-CE1 3.76Å; V385-F526 HydrophobicContact CG2-CE2 3.94Å; V385-F526 HydrophobicContact CG2-CZ 3.53Å; L388-F526 HydrophobicContact CD1-CD2 4.04Å; L388-F526 HydrophobicContact CD1-CE2 3.57Å; F389-F526 HydrophobicContact CE2-CB 4.09Å; F389-F526 HydrophobicContact CZ-CB 4.03Å; L492-F526 WeakPolarHBondContact CA-O 3.47Å; V493-F526 HydrophobicContact CB-CB 4.42Å; V493-F526 PolarHBondContact N-O 3.46Å; V493-F526 PolarHBondContact O-N 2.85Å; Y495-F526 AromaticContact CD1-CD2 3.7Å; Y495-F526 HydrophobicContact CD1-CD2 3.7Å; Y495-F526 AromaticContact CD1-CE2 3.53Å; Y495-F526 HydrophobicContact CD1-CE2 3.53Å; Y495-F526 HydrophobicContact CD1-CZ 4.48Å; Y495-F526 AromaticContact CE1-CD2 3.46Å; Y495-F526 HydrophobicContact CE1-CD2 3.46Å; Y495-F526 VanDerWaalsContact CE1-CD2 3.46Å; Y495-F526 HydrophobicContact CE1-CE1 4.42Å; Y495-F526 AromaticContact CE1-CE2 2.99Å; Y495-F526 HydrophobicContact CE1-CE2 2.99Å; Y495-F526 HydrophobicContact CE1-CG 4.34Å; Y495-F526 AromaticContact CE1-CZ 3.55Å; Y495-F526 HydrophobicContact CE1-CZ 3.55Å; Y495-F526 HydrophobicContact CE2-CE2 4.32Å; Y495-F526 HydrophobicContact CG-CE2 4.39Å; Y495-F526 AromaticContact CZ-CE2 3.46Å; Y495-F526 VanDerWaalsContact CZ-CE2 3.46Å; Y495-F526 AromaticContact CZ-CZ 3.68Å; Y495-F526 WeakPolarHBondContact OH-CZ 3.36Å; F526-D531 WeakPolarHBondContact CA-OD2 2.95Å; F526-D531 HydrophobicContact CB-CB 4.29Å; F526-D531 HydrophobicContact CD1-CB 4.09Å; F526-V538 HydrophobicContact CE2-CG1 4.05Å; F526-V538 HydrophobicContact CZ-CB 3.71Å; F526-V538 HydrophobicContact CZ-CG1 3.68Å; F526-V538 HydrophobicContact CZ-CG2 3.83Å
527	Y	94.3	Very high	94.3	Very high	77 Å²	77	52 Å²	52	30%	0.302	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.5	178.6	-63.5	-82.6	0	0	0	109.5	P218 Q491 L492 N525 T529 N530 D531	P218-Y527 WeakPolarHBondContact CG-OH 3.27Å; Q491-Y527 WeakPolarHBondContact O-CA 3.02Å; L492-Y527 HydrophobicContact CD1-CD1 4.22Å; L492-Y527 HydrophobicContact CD1-CE1 3.9Å; N525-Y527 HydrophobicContact CB-CE2 4.37Å; Y527-T529 PolarHBondContact O-N 2.9Å; Y527-T529 VanDerWaalsContact O-N 3.1Å; Y527-N530 PolarHBondContact O-N 2.77Å; Y527-D531 PolarHBondContact N-OD2 3.07Å; Y527-D531 WeakPolarHBondContact O-CB 3.41Å; Y527-D531 PolarHBondContact O-N 3.45Å
528	A	91.4	Very high	94.2	Very high	26 Å²	26	53 Å²	53	22%	0.215	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-32.7	-179.2	0	0	0	0	0	113	F389 V489 P490 Q491 N530 Y532	F389-A528 HydrophobicContact CE1-CB 3.94Å; V489-A528 HydrophobicContact CG1-CB 4.34Å; P490-A528 WeakPolarHBondContact O-CB 3.19Å; Q491-A528 PolarHBondContact O-N 2.93Å; A528-N530 VanDerWaalsContact C-N 3.29Å; A528-N530 PolarHBondContact O-N 2.79Å; A528-Y532 WeakPolarHBondContact O-CB 3.5Å
529	T	91.1	Very high	94.1	Very high	117 Å²	117	57.9 Å²	57.9	72%	0.718	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-33.3	179.6	56.1	0	0	0	0	113.1	Y527	Y527-T529 PolarHBondContact O-N 2.9Å; Y527-T529 VanDerWaalsContact O-N 3.1Å
530	N	90.7	Very high	94	Very high	110 Å²	110	58 Å²	58	59%	0.588	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-31.6	-169.2	-61.6	-6.5	0	0	0	112.1	Y527 A528	Y527-N530 PolarHBondContact O-N 2.77Å; A528-N530 VanDerWaalsContact C-N 3.29Å; A528-N530 PolarHBondContact O-N 2.79Å
531	D	93.2	Very high	94	Very high	12 Å²	12	56.9 Å²	56.9	6%	0.064	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-32.5	-165.9	-57.7	-62.4	0	0	0	113.7	V385 F526 Y527 K536	V385-D531 HydrophobicContact CG1-CB 3.97Å; F526-D531 WeakPolarHBondContact CA-OD2 2.95Å; F526-D531 HydrophobicContact CB-CB 4.29Å; F526-D531 HydrophobicContact CD1-CB 4.09Å; Y527-D531 PolarHBondContact N-OD2 3.07Å; Y527-D531 WeakPolarHBondContact O-CB 3.41Å; Y527-D531 PolarHBondContact O-N 3.45Å; D531-K536 HydrophobicContact CB-CD 4.49Å; D531-K536 WeakPolarHBondContact OD1-CD 3.31Å; D531-K536 IonicContact OD1-NZ 2.82Å; D531-K536 PolarHBondContact OD1-NZ 3.43Å
532	Y	92.5	Very high	93.9	Very high	100 Å²	100	57.1 Å²	57.1	39%	0.392	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	135.8	-174.5	-176.9	-102	0	0	0	112.6	D386 F389 V489 A528 K534	D386-Y532 WeakPolarHBondContact OD1-CA 3.47Å; F389-Y532 HydrophobicContact CB-CD2 3.8Å; F389-Y532 HydrophobicContact CB-CE2 3.77Å; F389-Y532 AromaticContact CD1-CD2 3.91Å; F389-Y532 HydrophobicContact CD1-CD2 3.91Å; F389-Y532 HydrophobicContact CD1-CG 4.44Å; F389-Y532 AromaticContact CD2-CD2 3.7Å; F389-Y532 HydrophobicContact CD2-CD2 3.7Å; F389-Y532 HydrophobicContact CD2-CE2 4.49Å; F389-Y532 HydrophobicContact CE1-CD2 4.44Å; F389-Y532 HydrophobicContact CE2-CD2 4.25Å; F389-Y532 AromaticContact CG-CD2 3.52Å; F389-Y532 HydrophobicContact CG-CD2 3.52Å; F389-Y532 HydrophobicContact CG-CE2 4.04Å; F389-Y532 HydrophobicContact CG-CG 4.43Å; V489-Y532 HydrophobicContact CG1-CD1 4.02Å; V489-Y532 HydrophobicContact CG1-CD2 4.1Å; V489-Y532 HydrophobicContact CG1-CE1 4.06Å; V489-Y532 HydrophobicContact CG1-CE2 4.12Å; V489-Y532 HydrophobicContact CG1-CG 4.03Å; V489-Y532 HydrophobicContact CG2-CE1 3.8Å; V489-Y532 HydrophobicContact CG2-CE2 4.39Å; A528-Y532 WeakPolarHBondContact O-CB 3.5Å; Y532-K534 VanDerWaalsContact C-N 3.25Å; Y532-K534 PolarHBondContact O-N 3.35Å
533	G	91.2	Very high	93.9	Very high	55 Å²	55	56.2 Å²	56.2	57%	0.567	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	14.6	-178.8	0	0	0	0	0	114.2	D386	D386-G533 PolarHBondContact OD1-N 2.85Å
534	K	91.3	Very high	93.7	Very high	152 Å²	152	55.5 Å²	55.5	66%	0.661	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-4.3	-179.7	-59.6	-59.3	-177.6	-175.8	0	113.6	Y532 K536	Y532-K534 VanDerWaalsContact C-N 3.25Å; Y532-K534 PolarHBondContact O-N 3.35Å; K534-K536 PolarHBondContact O-N 2.53Å
535	G	88.6	Confident	93.6	Very high	46 Å²	46	55.2 Å²	55.2	47%	0.474	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	28	-175.6	0	0	0	0	0	113.3
536	K	93	Very high	93.4	Very high	92 Å²	92	54.8 Å²	54.8	40%	0.4	30%	0.296	S	S	.	.			trans	-68.4	137.2	179.4	-179	175.5	173.8	178.2	0	109.7	N384 V385 D531 K534	N384-K536 PolarHBondContact OD1-O 3.17Å; V385-K536 HydrophobicContact CB-CB 4.33Å; V385-K536 WeakPolarHBondContact CB-O 3.39Å; V385-K536 HydrophobicContact CG2-CB 4.1Å; V385-K536 HydrophobicContact CG2-CD 4.41Å; V385-K536 HydrophobicContact CG2-CG 4.05Å; V385-K536 VanDerWaalsContact CG2-O 3.26Å; V385-K536 WeakPolarHBondContact CG2-O 3.08Å; V385-K536 PolarHBondContact N-O 2.05Å; D531-K536 HydrophobicContact CB-CD 4.49Å; D531-K536 WeakPolarHBondContact OD1-CD 3.31Å; D531-K536 IonicContact OD1-NZ 2.82Å; D531-K536 PolarHBondContact OD1-NZ 3.43Å; K534-K536 PolarHBondContact O-N 2.53Å
537	Q	93.7	Very high	93.2	Very high	98 Å²	98	54.9 Å²	54.9	46%	0.458	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	146	173.5	-63.8	-68.6	-8	0	0	110	E382 L383 N384	E382-Q537 HydrophobicContact CB-CB 4.41Å; L383-Q537 WeakPolarHBondContact O-CA 3.46Å; L383-Q537 PolarHBondContact O-OE1 2.94Å; L383-Q537 VanDerWaalsContact O-OE1 3.07Å; N384-Q537 VanDerWaalsContact N-OE1 3.07Å
538	V	94.3	Very high	93	Very high	22 Å²	22	51.6 Å²	51.6	13%	0.133	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	140.2	174.3	66.5	0	0	0	0	112.2	E382 L383 V385 L388 Y495 F526 I540	E382-V538 CarbonylContact C-O 3.51Å; E382-V538 VanDerWaalsContact CA-O 3.27Å; E382-V538 WeakPolarHBondContact CA-O 3.09Å; L383-V538 PolarHBondContact N-O 3.11Å; L383-V538 PolarHBondContact O-N 3.14Å; V385-V538 HydrophobicContact CG2-CB 4.11Å; V385-V538 HydrophobicContact CG2-CG1 3.99Å; L388-V538 HydrophobicContact CD1-CG1 4.47Å; Y495-V538 VanDerWaalsContact OH-CG2 3.31Å; Y495-V538 WeakPolarHBondContact OH-CG2 3.33Å; F526-V538 HydrophobicContact CE2-CG1 4.05Å; F526-V538 HydrophobicContact CZ-CB 3.71Å; F526-V538 HydrophobicContact CZ-CG1 3.68Å; F526-V538 HydrophobicContact CZ-CG2 3.83Å; V538-I540 HydrophobicContact CG1-CD1 4.19Å; V538-I540 HydrophobicContact CG1-CG1 4.49Å
539	Q	95.6	Very high	92.9	Very high	121 Å²	121	50.6 Å²	50.6	57%	0.565	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	126.5	173.4	-70.8	-174.9	19.3	0	0	111.4	T380 C381 E382	T380-Q539 HydrophobicContact CG2-CB 4.41Å; C381-Q539 WeakPolarHBondContact O-CA 3.38Å; E382-Q539 HydrophobicContact CG-CG 3.63Å; E382-Q539 PolarHBondContact OE1-NE2 3.07Å
540	I	95.5	Very high	92.8	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	144	173.7	-71.4	152.7	0	0	0	108.8	L359 T380 C381 L383 Y495 S497 V538	L359-I540 HydrophobicContact CB-CD1 4.46Å; L359-I540 HydrophobicContact CB-CG2 4.19Å; L359-I540 HydrophobicContact CD1-CD1 3.94Å; L359-I540 HydrophobicContact CD1-CG2 4.16Å; T380-I540 VanDerWaalsContact CA-O 3.3Å; T380-I540 WeakPolarHBondContact CA-O 3.27Å; C381-I540 PolarHBondContact N-O 3.09Å; C381-I540 PolarHBondContact O-N 3.37Å; L383-I540 HydrophobicContact CB-CD1 4.18Å; L383-I540 HydrophobicContact CD1-CD1 3.37Å; L383-I540 HydrophobicContact CG-CD1 3.87Å; Y495-I540 HydrophobicContact CD2-CD1 3.99Å; Y495-I540 HydrophobicContact CD2-CG1 4.07Å; Y495-I540 HydrophobicContact CE2-CD1 3.93Å; Y495-I540 HydrophobicContact CE2-CG1 3.66Å; S497-I540 WeakPolarHBondContact O-CA 3.16Å; V538-I540 HydrophobicContact CG1-CD1 4.19Å; V538-I540 HydrophobicContact CG1-CG1 4.49Å
541	T	96.5	Very high	92.7	Very high	27 Å²	27	41.5 Å²	41.5	17%	0.166	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.5	179.5	-59.6	0	0	0	0	111.9	R378 Q379 T380 S497 N498 I499	R378-T541 HydrophobicContact CG-CG2 4.38Å; Q379-T541 WeakPolarHBondContact O-CA 3.39Å; T380-T541 PolarHBondContact OG1-OG1 3.42Å; S497-T541 PolarHBondContact O-N 2.9Å; N498-T541 VanDerWaalsContact CA-O 3.31Å; N498-T541 WeakPolarHBondContact CA-O 3.35Å; I499-T541 PolarHBondContact N-O 2.77Å
542	F	96.4	Very high	92.5	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133.9	166.6	174.4	-86.2	0	0	0	108.7	L357 Q358 A370 F371 Y377 Q379 I499 I501 V544	L357-F542 HydrophobicContact CB-CD2 4.39Å; L357-F542 HydrophobicContact CB-CE2 3.75Å; L357-F542 WeakPolarHBondContact O-CD2 3.37Å; Q358-F542 HydrophobicContact CG-CB 4.27Å; Q358-F542 HydrophobicContact CG-CD1 3.57Å; Q358-F542 HydrophobicContact CG-CD2 4Å; Q358-F542 HydrophobicContact CG-CE1 3.81Å; Q358-F542 HydrophobicContact CG-CE2 4.24Å; Q358-F542 HydrophobicContact CG-CG 3.66Å; Q358-F542 HydrophobicContact CG-CZ 4.14Å; A370-F542 HydrophobicContact CB-CE1 3.76Å; A370-F542 HydrophobicContact CB-CZ 4.49Å; F371-F542 HydrophobicContact CZ-CZ 4.33Å; Y377-F542 AromaticContact CD1-CD1 3.74Å; Y377-F542 HydrophobicContact CD1-CD1 3.74Å; Y377-F542 AromaticContact CD1-CE1 3.86Å; Y377-F542 HydrophobicContact CD1-CE1 3.86Å; Y377-F542 AromaticContact CE1-CD1 3.62Å; Y377-F542 HydrophobicContact CE1-CD1 3.62Å; Y377-F542 AromaticContact CE1-CE1 3.97Å; Y377-F542 HydrophobicContact CE1-CE1 3.97Å; Q379-F542 PolarHBondContact N-O 2.81Å; Q379-F542 PolarHBondContact O-N 3.21Å; I499-F542 HydrophobicContact CB-CD2 3.88Å; I499-F542 HydrophobicContact CB-CE2 4.46Å; I499-F542 HydrophobicContact CG2-CD2 3.8Å; I499-F542 HydrophobicContact CG2-CE2 3.87Å; I499-F542 CarbonylContact O-C 3.49Å; I499-F542 WeakPolarHBondContact O-CA 3.37Å; I501-F542 HydrophobicContact CD1-CE2 4.22Å; I501-F542 HydrophobicContact CD1-CZ 3.91Å; F542-V544 HydrophobicContact CE1-CG2 3.88Å; F542-V544 HydrophobicContact CZ-CG2 4.05Å
543	S	96.1	Very high	92.3	Very high	13 Å²	13	39.6 Å²	39.6	9%	0.091	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	152.1	-178	58.6	0	0	0	0	113.4	Y377 I499 E500 I501	Y377-S543 CarbonylContact O-C 3.56Å; Y377-S543 WeakPolarHBondContact O-CA 3.46Å; Y377-S543 VanDerWaalsContact O-CB 3.27Å; Y377-S543 WeakPolarHBondContact O-CB 3.39Å; I499-S543 PolarHBondContact O-N 3.16Å; E500-S543 CarbonylContact C-O 3.55Å; E500-S543 WeakPolarHBondContact CA-O 3.49Å; I501-S543 PolarHBondContact N-O 3.33Å
544	V	95.2	Very high	92.2	Very high	1 Å²	1	37 Å²	37	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	114.5	170.9	-174.9	0	0	0	0	107.4	A370 Y377 I501 F542 Y546	A370-V544 HydrophobicContact CB-CG2 4.11Å; A370-V544 VanDerWaalsContact O-CG2 3.32Å; A370-V544 WeakPolarHBondContact O-CG2 3.42Å; Y377-V544 PolarHBondContact N-O 3.05Å; Y377-V544 PolarHBondContact O-N 3.38Å; I501-V544 HydrophobicContact CB-CB 4.49Å; I501-V544 HydrophobicContact CB-CG1 4.22Å; I501-V544 HydrophobicContact CB-CG2 4.1Å; I501-V544 HydrophobicContact CD1-CG2 4.17Å; I501-V544 HydrophobicContact CG1-CG2 4.45Å; I501-V544 HydrophobicContact CG2-CG1 4.39Å; I501-V544 CarbonylContact O-C 3.48Å; I501-V544 VanDerWaalsContact O-CA 3.32Å; I501-V544 WeakPolarHBondContact O-CA 3.43Å; F542-V544 HydrophobicContact CE1-CG2 3.88Å; F542-V544 HydrophobicContact CZ-CG2 4.05Å; V544-Y546 HydrophobicContact CG1-CE2 4.05Å
545	T	93.7	Very high	92.1	Very high	35 Å²	35	32 Å²	32	22%	0.215	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	143.3	-173.5	60	0	0	0	0	110.3	E500 I501 K502 V503	E500-T545 HydrophobicContact CG-CG2 4.21Å; E500-T545 PolarHBondContact OE1-OG1 3.43Å; I501-T545 PolarHBondContact O-N 3.48Å; K502-T545 WeakPolarHBondContact CA-O 3.43Å; V503-T545 PolarHBondContact N-O 2.71Å
546	Y	92.1	Very high	92.1	Very high	31 Å²	31	31.7 Å²	31.7	12%	0.122	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	132.4	176.5	-66.4	-95.6	0	0	0	108.3	Q372 F373 A374 T375 V503 V544	Q372-Y546 PolarHBondContact O-OH 3.47Å; Q372-Y546 VanDerWaalsContact O-OH 3.08Å; F373-Y546 WeakPolarHBondContact CA-OH 3.37Å; F373-Y546 HydrophobicContact CD2-CE1 4.05Å; F373-Y546 AromaticContact CE2-CE1 3.91Å; F373-Y546 HydrophobicContact CE2-CE1 3.91Å; F373-Y546 HydrophobicContact CG-CE1 4.47Å; F373-Y546 HydrophobicContact CZ-CE1 4.22Å; A374-Y546 VanDerWaalsContact N-CE1 3.33Å; A374-Y546 PolarHBondContact N-OH 2.92Å; T375-Y546 VanDerWaalsContact O-CE2 3.27Å; T375-Y546 WeakPolarHBondContact O-CE2 3.22Å; V503-Y546 HydrophobicContact CB-CD1 3.83Å; V503-Y546 HydrophobicContact CB-CE1 3.89Å; V503-Y546 HydrophobicContact CG1-CD1 4Å; V503-Y546 HydrophobicContact CG1-CE1 3.97Å; V503-Y546 HydrophobicContact CG2-CD1 4.5Å; V503-Y546 HydrophobicContact CG2-CE1 4.11Å; V503-Y546 WeakPolarHBondContact O-CA 3.27Å; V544-Y546 HydrophobicContact CG1-CE2 4.05Å
547	S	90.9	Very high	92	Very high	9 Å²	9	28.3 Å²	28.3	6%	0.063	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	147.9	-179.8	62.2	0	0	0	0	111.3	K502 V503 T504 S505 N638	K502-S547 WeakPolarHBondContact CE-OG 3.5Å; V503-S547 PolarHBondContact O-N 3.03Å; V503-S547 PolarHBondContact O-OG 3.46Å; T504-S547 WeakPolarHBondContact CA-O 3.19Å; T504-S547 PolarHBondContact OG1-OG 3.4Å; S505-S547 PolarHBondContact N-O 3.26Å; S547-N638 WeakPolarHBondContact CA-OD1 3.29Å
548	S	89.4	Confident	91.9	Very high	8 Å²	8	27.9 Å²	27.9	6%	0.056	15%	0.15	C	C	.	.			trans	-73.4	146.3	164	69	0	0	0	0	110	N638	S548-N638 PolarHBondContact N-OD1 3.43Å; S548-N638 PolarHBondContact O-ND2 3.38Å; S548-N638 PolarHBondContact O-OD1 3.49Å; S548-N638 PolarHBondContact OG-ND2 2.95Å; S548-N638 PolarHBondContact OG-OD1 3.49Å
549	S	89.8	Confident	91.8	Very high	5 Å²	5	29.6 Å²	29.6	4%	0.035	17%	0.166	C	C	.	.			trans	-49.3	146.1	163.6	53.5	0	0	0	0	111.3	D507 A551 K552 Q553	D507-S549 WeakPolarHBondContact OD1-CB 3.44Å; D507-S549 PolarHBondContact OD1-OG 3.12Å; S549-A551 PolarHBondContact O-N 2.91Å; S549-A551 VanDerWaalsContact O-N 3.11Å; S549-K552 PolarHBondContact O-N 2.91Å; S549-K552 VanDerWaalsContact O-N 3.14Å; S549-K552 VanDerWaalsContact OG-CB 3.32Å; S549-K552 WeakPolarHBondContact OG-CB 3.37Å; S549-K552 WeakPolarHBondContact OG-CD 3.43Å; S549-K552 VanDerWaalsContact OG-CG 3.26Å; S549-K552 WeakPolarHBondContact OG-CG 3.28Å; S549-K552 PolarHBondContact OG-N 3.39Å; S549-Q553 PolarHBondContact O-N 2.84Å; S549-Q553 VanDerWaalsContact O-N 3.07Å
550	I	89.7	Confident	91.7	Very high	14 Å²	14	24.1 Å²	24.1	7%	0.072	14%	0.141	C	C	.	.	H	α-helix	trans	-58.2	-30.6	179	-158.6	66.9	0	0	0	113	L444 L448 A456 V457 E460 Q553 A554	L444-I550 HydrophobicContact CD1-CD1 4.08Å; L444-I550 HydrophobicContact CD1-CG1 4.22Å; L444-I550 HydrophobicContact CD2-CD1 4.47Å; L448-I550 HydrophobicContact CD1-CD1 4.13Å; L448-I550 HydrophobicContact CD2-CD1 3.86Å; L448-I550 HydrophobicContact CD2-CG1 4.24Å; L448-I550 HydrophobicContact CG-CD1 4.32Å; A456-I550 HydrophobicContact CB-CG1 4.09Å; V457-I550 HydrophobicContact CB-CG2 4.2Å; V457-I550 HydrophobicContact CG2-CG2 3.54Å; E460-I550 HydrophobicContact CB-CG2 4.24Å; E460-I550 WeakPolarHBondContact OE2-CB 3.39Å; E460-I550 WeakPolarHBondContact OE2-CG2 3.26Å; I550-Q553 PolarHBondContact O-N 3.3Å; I550-A554 WeakPolarHBondContact O-CB 3.26Å; I550-A554 PolarHBondContact O-N 3.26Å
551	A	88.1	Confident	91.5	Very high	23 Å²	23	28.9 Å²	28.9	19%	0.19	16%	0.159	C	C	.	.	H	α-helix	trans	-64.2	-50.1	177.7	0	0	0	0	0	111.7	V457 S549 A554 A555	V457-A551 HydrophobicContact CG2-CB 3.87Å; S549-A551 PolarHBondContact O-N 2.91Å; S549-A551 VanDerWaalsContact O-N 3.11Å; A551-A554 PolarHBondContact O-N 3.44Å; A551-A555 WeakPolarHBondContact O-CB 3.47Å; A551-A555 PolarHBondContact O-N 3.27Å
552	K	87.9	Confident	91.4	Very high	67 Å²	67	32.1 Å²	32.1	29%	0.291	17%	0.174	S	C	.	.	H	α-helix	trans	-60.3	-42	173.6	-71.3	178.7	175.7	174	0	112.4	Q506 S549 A555 F556	Q506-K552 PolarHBondContact O-NZ 3.22Å; S549-K552 PolarHBondContact O-N 2.91Å; S549-K552 VanDerWaalsContact O-N 3.14Å; S549-K552 VanDerWaalsContact OG-CB 3.32Å; S549-K552 WeakPolarHBondContact OG-CB 3.37Å; S549-K552 WeakPolarHBondContact OG-CD 3.43Å; S549-K552 VanDerWaalsContact OG-CG 3.26Å; S549-K552 WeakPolarHBondContact OG-CG 3.28Å; S549-K552 PolarHBondContact OG-N 3.39Å; K552-A555 PolarHBondContact O-N 3.01Å; K552-F556 WeakPolarHBondContact O-CB 3.45Å; K552-F556 PolarHBondContact O-N 3.4Å
553	Q	88.8	Confident	91.4	Very high	5 Å²	5	33.7 Å²	33.7	2%	0.023	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-50.5	175.8	177.8	63.4	36.9	0	0	111.4	L448 S549 I550 A555 F556 D557	L448-Q553 HydrophobicContact CD2-CG 4.16Å; S549-Q553 PolarHBondContact O-N 2.84Å; S549-Q553 VanDerWaalsContact O-N 3.07Å; I550-Q553 PolarHBondContact O-N 3.3Å; Q553-A555 VanDerWaalsContact C-N 3.32Å; Q553-A555 PolarHBondContact O-N 3.43Å; Q553-F556 WeakPolarHBondContact O-CB 3.46Å; Q553-F556 PolarHBondContact O-N 3.28Å; Q553-D557 VanDerWaalsContact NE2-CG 3.32Å; Q553-D557 PolarHBondContact NE2-OD1 3.39Å; Q553-D557 PolarHBondContact NE2-OD2 3.08Å; Q553-D557 PolarHBondContact O-N 2.92Å
554	A	89.3	Confident	91.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.1	-39.1	179.4	0	0	0	0	0	112.3	L448 T453 A456 I550 A551 D557 Q558	L448-A554 HydrophobicContact CD2-CB 3.91Å; T453-A554 HydrophobicContact CG2-CB 3.93Å; A456-A554 HydrophobicContact CB-CB 4.2Å; I550-A554 WeakPolarHBondContact O-CB 3.26Å; I550-A554 PolarHBondContact O-N 3.26Å; A551-A554 PolarHBondContact O-N 3.44Å; A554-D557 PolarHBondContact O-N 3.12Å; A554-Q558 WeakPolarHBondContact O-CB 3.38Å; A554-Q558 PolarHBondContact O-N 2.71Å
555	A	88.6	Confident	91.4	Very high	46 Å²	46	35 Å²	35	38%	0.38	20%	0.202	S	C	.	.	H	α-helix	trans	-65.7	-41.2	175.9	0	0	0	0	0	112.1	T453 A551 K552 Q553 Q558 A559	T453-A555 HydrophobicContact CG2-CB 4.14Å; A551-A555 WeakPolarHBondContact O-CB 3.47Å; A551-A555 PolarHBondContact O-N 3.27Å; K552-A555 PolarHBondContact O-N 3.01Å; Q553-A555 VanDerWaalsContact C-N 3.32Å; Q553-A555 PolarHBondContact O-N 3.43Å; A555-Q558 PolarHBondContact O-N 3.5Å; A555-A559 WeakPolarHBondContact O-CB 3.27Å; A555-A559 PolarHBondContact O-N 2.96Å
556	F	90.4	Very high	91.6	Very high	40 Å²	40	36.8 Å²	36.8	18%	0.175	22%	0.215	C	C	.	.	H	α-helix	trans	-61.4	-49.1	173.6	168.5	-102.2	0	0	0	111.5	K552 Q553 Q558 A559 L560 V618 F622 P637 F642	K552-F556 WeakPolarHBondContact O-CB 3.45Å; K552-F556 PolarHBondContact O-N 3.4Å; Q553-F556 WeakPolarHBondContact O-CB 3.46Å; Q553-F556 PolarHBondContact O-N 3.28Å; F556-Q558 VanDerWaalsContact C-N 3.29Å; F556-Q558 PolarHBondContact O-N 3.49Å; F556-A559 PolarHBondContact O-N 2.97Å; F556-A559 VanDerWaalsContact O-N 3.15Å; F556-L560 HydrophobicContact CE1-CD2 4.31Å; F556-L560 HydrophobicContact CZ-CD2 4.26Å; F556-L560 WeakPolarHBondContact O-CB 3.45Å; F556-L560 PolarHBondContact O-N 2.77Å; F556-V618 HydrophobicContact CE2-CG1 3.96Å; F556-V618 HydrophobicContact CZ-CG1 4.03Å; F556-F622 HydrophobicContact CD2-CE2 4.27Å; F556-F622 AromaticContact CD2-CZ 3.93Å; F556-F622 HydrophobicContact CD2-CZ 3.93Å; F556-F622 AromaticContact CE2-CE2 3.49Å; F556-F622 HydrophobicContact CE2-CE2 3.49Å; F556-F622 VanDerWaalsContact CE2-CE2 3.49Å; F556-F622 AromaticContact CE2-CZ 3.61Å; F556-F622 HydrophobicContact CE2-CZ 3.61Å; F556-F622 AromaticContact CZ-CE2 3.78Å; F556-F622 HydrophobicContact CZ-CE2 3.78Å; F556-F622 HydrophobicContact CZ-CZ 4.12Å; F556-P637 HydrophobicContact CD1-CB 4.44Å; F556-P637 HydrophobicContact CD1-CG 4.33Å; F556-P637 HydrophobicContact CE1-CB 4.14Å; F556-P637 HydrophobicContact CE1-CG 3.86Å; F556-P637 HydrophobicContact CZ-CG 4.04Å; F556-F642 AromaticContact CE1-CE1 3.97Å; F556-F642 HydrophobicContact CE1-CE1 3.97Å; F556-F642 HydrophobicContact CE1-CE2 4.45Å; F556-F642 AromaticContact CE1-CZ 3.93Å; F556-F642 HydrophobicContact CE1-CZ 3.93Å; F556-F642 HydrophobicContact CZ-CE1 4.29Å; F556-F642 HydrophobicContact CZ-CE2 4.15Å; F556-F642 AromaticContact CZ-CZ 3.78Å; F556-F642 HydrophobicContact CZ-CZ 3.78Å
557	D	90.2	Very high	91.9	Very high	22 Å²	22	38.2 Å²	38.2	12%	0.118	22%	0.224	C	C	.	.	H	α-helix	trans	-61.2	-39.5	180	-71.1	-22.7	0	0	0	111.5	Q553 A554 R561	Q553-D557 VanDerWaalsContact NE2-CG 3.32Å; Q553-D557 PolarHBondContact NE2-OD1 3.39Å; Q553-D557 PolarHBondContact NE2-OD2 3.08Å; Q553-D557 PolarHBondContact O-N 2.92Å; A554-D557 PolarHBondContact O-N 3.12Å; D557-R561 VanDerWaalsContact O-CD 3.25Å; D557-R561 WeakPolarHBondContact O-CD 3.19Å; D557-R561 WeakPolarHBondContact O-CG 3.28Å; D557-R561 PolarHBondContact O-N 3.36Å; D557-R561 VanDerWaalsContact O-N 3.11Å
558	Q	90.7	Very high	92.2	Very high	89 Å²	89	39 Å²	39	42%	0.416	23%	0.229	S	C	.	.	H	α-helix	trans	-62.9	-48.3	173.5	-172.5	-178	14.5	0	0	111.7	G451 A554 A555 F556 L560 R561 I562	G451-Q558 PolarHBondContact O-OE1 3.36Å; A554-Q558 WeakPolarHBondContact O-CB 3.38Å; A554-Q558 PolarHBondContact O-N 2.71Å; A555-Q558 PolarHBondContact O-N 3.5Å; F556-Q558 VanDerWaalsContact C-N 3.29Å; F556-Q558 PolarHBondContact O-N 3.49Å; Q558-L560 PolarHBondContact O-N 2.9Å; Q558-R561 PolarHBondContact O-N 3.29Å; Q558-I562 HydrophobicContact CG-CD1 4.04Å; Q558-I562 WeakPolarHBondContact O-CG1 3.32Å; Q558-I562 PolarHBondContact O-N 3.42Å
559	A	92.1	Very high	92.5	Very high	57 Å²	57	42.9 Å²	42.9	47%	0.471	25%	0.253	S	S	.	.	H	α-helix	trans	-62.3	-42.4	179.4	0	0	0	0	0	112.1	A555 F556 R561 I562 A563	A555-A559 WeakPolarHBondContact O-CB 3.27Å; A555-A559 PolarHBondContact O-N 2.96Å; F556-A559 PolarHBondContact O-N 2.97Å; F556-A559 VanDerWaalsContact O-N 3.15Å; A559-R561 VanDerWaalsContact C-N 3.34Å; A559-R561 PolarHBondContact O-N 3.01Å; A559-I562 PolarHBondContact O-N 3.48Å; A559-A563 WeakPolarHBondContact O-CB 3.38Å; A559-A563 PolarHBondContact O-N 2.85Å
560	L	93.5	Very high	92.9	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.037	28%	0.278	C	S	.	.	H	α-helix	trans	-58.8	-45	175.9	179.9	64	0	0	0	111.1	F556 Q558 A563 M564 V614 V618 F642 Y646	F556-L560 HydrophobicContact CE1-CD2 4.31Å; F556-L560 HydrophobicContact CZ-CD2 4.26Å; F556-L560 WeakPolarHBondContact O-CB 3.45Å; F556-L560 PolarHBondContact O-N 2.77Å; Q558-L560 PolarHBondContact O-N 2.9Å; L560-A563 PolarHBondContact O-N 2.86Å; L560-M564 HydrophobicContact CD1-CE 4.06Å; L560-M564 HydrophobicContact CD1-CG 4.49Å; L560-M564 WeakPolarHBondContact O-CB 3.18Å; L560-M564 VanDerWaalsContact O-CG 3.23Å; L560-M564 WeakPolarHBondContact O-CG 3.41Å; L560-M564 PolarHBondContact O-N 2.9Å; L560-V614 HydrophobicContact CD1-CG1 3.97Å; L560-V618 HydrophobicContact CD1-CG2 4.06Å; L560-F642 HydrophobicContact CD2-CB 4.4Å; L560-F642 HydrophobicContact CD2-CD2 3.47Å; L560-F642 VanDerWaalsContact CD2-CD2 3.47Å; L560-F642 HydrophobicContact CD2-CE2 3.9Å; L560-F642 HydrophobicContact CD2-CG 4.03Å; L560-Y646 HydrophobicContact CD2-CE2 3.99Å; L560-Y646 HydrophobicContact CG-CE2 4.44Å
561	R	92.4	Very high	93.2	Very high	103 Å²	103	47.7 Å²	47.7	39%	0.389	28%	0.279	S	S	.	.	H	α-helix	trans	-66.8	-39.5	178.8	-70.7	162.3	179.4	-145.2	-8.9	113.1	A449 D557 Q558 A559 M564 G565	A449-R561 VanDerWaalsContact C-NH1 3.25Å; A449-R561 VanDerWaalsContact CA-NH2 3.32Å; A449-R561 PolarHBondContact O-NH1 2.83Å; D557-R561 VanDerWaalsContact O-CD 3.25Å; D557-R561 WeakPolarHBondContact O-CD 3.19Å; D557-R561 WeakPolarHBondContact O-CG 3.28Å; D557-R561 PolarHBondContact O-N 3.36Å; D557-R561 VanDerWaalsContact O-N 3.11Å; Q558-R561 PolarHBondContact O-N 3.29Å; A559-R561 VanDerWaalsContact C-N 3.34Å; A559-R561 PolarHBondContact O-N 3.01Å; R561-M564 PolarHBondContact O-N 3.2Å; R561-G565 PolarHBondContact O-N 3.07Å
562	I	94.7	Very high	93.6	Very high	96 Å²	96	48.3 Å²	48.3	49%	0.492	28%	0.284	S	S	.	.	H	α-helix	trans	-61.2	-48	174.1	-67.8	166.4	0	0	0	109.4	Q558 A559 M564 G565 C566	Q558-I562 HydrophobicContact CG-CD1 4.04Å; Q558-I562 WeakPolarHBondContact O-CG1 3.32Å; Q558-I562 PolarHBondContact O-N 3.42Å; A559-I562 PolarHBondContact O-N 3.48Å; I562-M564 PolarHBondContact O-N 2.95Å; I562-G565 PolarHBondContact O-N 2.65Å; I562-C566 WeakPolarHBondContact O-CB 3.17Å; I562-C566 PolarHBondContact O-N 3.11Å; I562-C566 PolarHBondContact O-SG 3.18Å
563	A	96.1	Very high	94	Very high	37 Å²	37	47.8 Å²	47.8	31%	0.306	29%	0.288	S	S	.	.	H	α-helix	trans	-59.1	-46.5	177.6	0	0	0	0	0	112	A559 L560 C566 M567 V614	A559-A563 WeakPolarHBondContact O-CB 3.38Å; A559-A563 PolarHBondContact O-N 2.85Å; L560-A563 PolarHBondContact O-N 2.86Å; A563-C566 PolarHBondContact O-N 3.49Å; A563-M567 WeakPolarHBondContact O-CB 3.2Å; A563-M567 WeakPolarHBondContact O-CG 3.26Å; A563-M567 PolarHBondContact O-N 3.38Å; A563-V614 HydrophobicContact CB-CG1 4.11Å
564	M	95.8	Very high	94.3	Very high	7 Å²	7	53.6 Å²	53.6	3%	0.034	31%	0.311	C	S	.	.	H	α-helix	trans	-60.2	-46.2	175.7	-70.9	-64.6	-173.8	0	0	112.2	L560 R561 I562 S568 F611 V614 I615 Y646	L560-M564 HydrophobicContact CD1-CE 4.06Å; L560-M564 HydrophobicContact CD1-CG 4.49Å; L560-M564 WeakPolarHBondContact O-CB 3.18Å; L560-M564 VanDerWaalsContact O-CG 3.23Å; L560-M564 WeakPolarHBondContact O-CG 3.41Å; L560-M564 PolarHBondContact O-N 2.9Å; R561-M564 PolarHBondContact O-N 3.2Å; I562-M564 PolarHBondContact O-N 2.95Å; M564-S568 VanDerWaalsContact O-CB 3.23Å; M564-S568 WeakPolarHBondContact O-CB 3.3Å; M564-S568 PolarHBondContact O-N 3.44Å; M564-S568 PolarHBondContact O-OG 3.37Å; M564-F611 HydrophobicContact CB-CE1 4.47Å; M564-F611 HydrophobicContact SD-CD1 3.54Å; M564-F611 VanDerWaalsContact SD-CD1 3.54Å; M564-F611 HydrophobicContact SD-CE1 3.96Å; M564-F611 HydrophobicContact SD-CG 4.17Å; M564-V614 HydrophobicContact CE-CB 3.83Å; M564-V614 HydrophobicContact CE-CG1 3.6Å; M564-V614 HydrophobicContact CG-CG1 4.23Å; M564-V614 HydrophobicContact SD-CB 3.74Å; M564-V614 HydrophobicContact SD-CG1 3.76Å; M564-V614 HydrophobicContact SD-CG2 4.1Å; M564-I615 HydrophobicContact CE-CD1 3.57Å; M564-I615 HydrophobicContact CE-CG1 3.81Å; M564-Y646 HydrophobicContact CE-CD1 3.78Å; M564-Y646 HydrophobicContact CE-CD2 3.8Å; M564-Y646 HydrophobicContact CE-CE1 4.06Å; M564-Y646 HydrophobicContact CE-CE2 4.09Å; M564-Y646 HydrophobicContact CE-CG 3.66Å; M564-Y646 HydrophobicContact CG-CE1 3.97Å; M564-Y646 HydrophobicContact SD-CD1 4.19Å; M564-Y646 HydrophobicContact SD-CE1 4.19Å
565	G	95.9	Very high	94.7	Very high	35 Å²	35	53.6 Å²	53.6	36%	0.361	31%	0.311	S	S	.	.	H	α-helix	trans	-64.1	-45	179.5	0	0	0	0	0	112.6	R561 I562 S568 T569	R561-G565 PolarHBondContact O-N 3.07Å; I562-G565 PolarHBondContact O-N 2.65Å; G565-S568 PolarHBondContact O-N 3.41Å; G565-T569 WeakPolarHBondContact O-CB 3.39Å; G565-T569 PolarHBondContact O-N 2.9Å; G565-T569 PolarHBondContact O-OG1 3.4Å
566	C	97.6	Very high	95	Very high	72 Å²	72	56.4 Å²	56.4	49%	0.486	32%	0.317	S	S	.	.	H	α-helix	trans	-63.4	-49	177.5	-68.1	0	0	0	0	111.6	I562 A563 S568 T569 L570	I562-C566 WeakPolarHBondContact O-CB 3.17Å; I562-C566 PolarHBondContact O-N 3.11Å; I562-C566 PolarHBondContact O-SG 3.18Å; A563-C566 PolarHBondContact O-N 3.49Å; C566-S568 VanDerWaalsContact C-N 3.34Å; C566-S568 PolarHBondContact O-N 2.97Å; C566-T569 PolarHBondContact O-N 2.98Å; C566-L570 WeakPolarHBondContact O-CG 3.45Å; C566-L570 PolarHBondContact O-N 3.23Å
567	M	97.2	Very high	95.1	Very high	61 Å²	61	58.2 Å²	58.2	30%	0.3	33%	0.328	S	S	.	.	H	α-helix	trans	-66.5	-34.7	179.6	-70.1	-59.4	-64.3	0	0	112.4	A563 L570 A571 A610 I613 V614	A563-M567 WeakPolarHBondContact O-CB 3.2Å; A563-M567 WeakPolarHBondContact O-CG 3.26Å; A563-M567 PolarHBondContact O-N 3.38Å; M567-L570 PolarHBondContact O-N 3.03Å; M567-L570 HydrophobicContact SD-CD1 4.14Å; M567-A571 VanDerWaalsContact O-CB 3.29Å; M567-A571 WeakPolarHBondContact O-CB 3.48Å; M567-A571 PolarHBondContact O-N 3.15Å; M567-A610 HydrophobicContact CB-CB 3.9Å; M567-I613 HydrophobicContact CE-CG2 4.29Å; M567-V614 HydrophobicContact CB-CG2 4Å; M567-V614 HydrophobicContact CG-CG2 3.68Å
568	S	97.4	Very high	95.3	Very high	25 Å²	25	60.9 Å²	60.9	18%	0.175	34%	0.336	C	S	.	.	H	α-helix	trans	-68.2	-36.4	174.1	-57.8	0	0	0	0	112.4	M564 G565 C566 A571 A572 F611	M564-S568 VanDerWaalsContact O-CB 3.23Å; M564-S568 WeakPolarHBondContact O-CB 3.3Å; M564-S568 PolarHBondContact O-N 3.44Å; M564-S568 PolarHBondContact O-OG 3.37Å; G565-S568 PolarHBondContact O-N 3.41Å; C566-S568 VanDerWaalsContact C-N 3.34Å; C566-S568 PolarHBondContact O-N 2.97Å; S568-A571 WeakPolarHBondContact O-CB 3.45Å; S568-A571 PolarHBondContact O-N 3.19Å; S568-A572 WeakPolarHBondContact O-CB 3.32Å; S568-A572 PolarHBondContact O-N 2.93Å; S568-F611 WeakPolarHBondContact OG-CE1 2.97Å
569	T	97	Very high	95.5	Very high	90 Å²	90	57 Å²	57	55%	0.552	32%	0.319	S	S	*	.	H	α-helix	trans	-66.3	-43	176	-56.2	0	0	0	0	111	G565 C566 A572 C573	G565-T569 WeakPolarHBondContact O-CB 3.39Å; G565-T569 PolarHBondContact O-N 2.9Å; G565-T569 PolarHBondContact O-OG1 3.4Å; C566-T569 PolarHBondContact O-N 2.98Å; T569-A572 PolarHBondContact O-N 2.97Å; T569-C573 PolarHBondContact O-N 3.13Å; T569-C573 PolarHBondContact O-SG 3.48Å
570	L	97.2	Very high	95.4	Very high	109 Å²	109	60 Å²	60	57%	0.571	32%	0.318	S	S	*	.	H	α-helix	trans	-62.7	-43.1	173.3	-69.1	173.2	0	0	0	111.5	C566 M567 A572 C573 Y574	C566-L570 WeakPolarHBondContact O-CG 3.45Å; C566-L570 PolarHBondContact O-N 3.23Å; M567-L570 PolarHBondContact O-N 3.03Å; M567-L570 HydrophobicContact SD-CD1 4.14Å; L570-A572 VanDerWaalsContact C-N 3.32Å; L570-A572 PolarHBondContact O-N 3.39Å; L570-C573 PolarHBondContact O-N 3.35Å; L570-Y574 PolarHBondContact O-N 2.97Å
571	A	97.1	Very high	95.3	Very high	10 Å²	10	60.2 Å²	60.2	8%	0.083	32%	0.319	C	S	.	.	H	α-helix	trans	-59.9	-39.5	174.9	0	0	0	0	0	112.8	M567 S568 Y574 A575 N606 I607 A610	M567-A571 VanDerWaalsContact O-CB 3.29Å; M567-A571 WeakPolarHBondContact O-CB 3.48Å; M567-A571 PolarHBondContact O-N 3.15Å; S568-A571 WeakPolarHBondContact O-CB 3.45Å; S568-A571 PolarHBondContact O-N 3.19Å; A571-Y574 PolarHBondContact O-N 3.22Å; A571-A575 WeakPolarHBondContact O-CB 3.29Å; A571-A575 PolarHBondContact O-N 3.42Å; A571-N606 HydrophobicContact CB-CB 3.84Å; A571-N606 PolarHBondContact O-ND2 3.46Å; A571-I607 HydrophobicContact CB-CG1 4.18Å; A571-A610 HydrophobicContact CB-CB 4.11Å
572	A	95.9	Very high	95.3	Very high	37 Å²	37	56.8 Å²	56.8	31%	0.306	31%	0.306	S	S	.	.	H	α-helix	trans	-68.2	-41	175	0	0	0	0	0	112.1	S568 T569 L570 Y574 A575 M576	S568-A572 WeakPolarHBondContact O-CB 3.32Å; S568-A572 PolarHBondContact O-N 2.93Å; T569-A572 PolarHBondContact O-N 2.97Å; L570-A572 VanDerWaalsContact C-N 3.32Å; L570-A572 PolarHBondContact O-N 3.39Å; A572-Y574 VanDerWaalsContact C-N 3.34Å; A572-Y574 PolarHBondContact O-N 3.41Å; A572-A575 WeakPolarHBondContact O-CB 3.4Å; A572-A575 PolarHBondContact O-N 3.39Å; A572-A575 VanDerWaalsContact O-N 3.16Å; A572-M576 WeakPolarHBondContact O-CG 3.46Å; A572-M576 PolarHBondContact O-N 3.42Å
573	C	96.5	Very high	95.2	Very high	55 Å²	55	53 Å²	53	37%	0.372	29%	0.288	S	S	.	.	H	α-helix	trans	-61	-44.7	173.7	-66	0	0	0	0	111.6	T569 L570 A575 M576 I577	T569-C573 PolarHBondContact O-N 3.13Å; T569-C573 PolarHBondContact O-SG 3.48Å; L570-C573 PolarHBondContact O-N 3.35Å; C573-A575 VanDerWaalsContact C-N 3.3Å; C573-A575 PolarHBondContact O-N 3.39Å; C573-M576 HydrophobicContact CB-CE 4.29Å; C573-M576 WeakPolarHBondContact O-CB 3.41Å; C573-M576 PolarHBondContact O-N 2.97Å; C573-I577 PolarHBondContact O-N 3.07Å; C573-I577 VanDerWaalsContact O-N 3.14Å
574	Y	95.5	Very high	94.8	Very high	127 Å²	127	55.4 Å²	55.4	50%	0.498	29%	0.289	S	S	.	.	H	α-helix	trans	-63.2	-36.9	174.4	-177.3	-121.4	0	0	0	112	L570 A571 A572 M576 I577 R578 N606	L570-Y574 PolarHBondContact O-N 2.97Å; A571-Y574 PolarHBondContact O-N 3.22Å; A572-Y574 VanDerWaalsContact C-N 3.34Å; A572-Y574 PolarHBondContact O-N 3.41Å; Y574-M576 VanDerWaalsContact C-N 3.34Å; Y574-M576 PolarHBondContact O-N 2.96Å; Y574-I577 PolarHBondContact O-N 2.92Å; Y574-R578 HydrophobicContact CE1-CG 4.18Å; Y574-R578 HydrophobicContact CE2-CG 4.2Å; Y574-R578 WeakPolarHBondContact O-CG 3.29Å; Y574-R578 PolarHBondContact O-N 3.47Å; Y574-N606 WeakPolarHBondContact CD1-ND2 3.43Å
575	A	96.4	Very high	94.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.4	-35	174.2	0	0	0	0	0	112.9	A571 A572 C573 R578 T579 L599 F602 A603 N606	A571-A575 WeakPolarHBondContact O-CB 3.29Å; A571-A575 PolarHBondContact O-N 3.42Å; A572-A575 WeakPolarHBondContact O-CB 3.4Å; A572-A575 PolarHBondContact O-N 3.39Å; A572-A575 VanDerWaalsContact O-N 3.16Å; C573-A575 VanDerWaalsContact C-N 3.3Å; C573-A575 PolarHBondContact O-N 3.39Å; A575-R578 PolarHBondContact O-N 3.03Å; A575-T579 WeakPolarHBondContact O-CB 3.27Å; A575-T579 PolarHBondContact O-N 3.43Å; A575-T579 PolarHBondContact O-OG1 2.96Å; A575-L599 HydrophobicContact CB-CD1 4.38Å; A575-F602 HydrophobicContact CB-CB 4.18Å; A575-A603 HydrophobicContact CB-CB 3.95Å; A575-N606 WeakPolarHBondContact CA-ND2 3.34Å; A575-N606 WeakPolarHBondContact CB-ND2 3.38Å; A575-N606 PolarHBondContact N-ND2 2.89Å
576	M	95.5	Very high	94.3	Very high	105 Å²	105	55.4 Å²	55.4	52%	0.517	28%	0.282	S	S	.	.	H	α-helix	trans	-63.6	-43.8	173.1	-71.5	-170.5	-71.1	0	0	111.4	A572 C573 Y574 T579 W580 L599	A572-M576 WeakPolarHBondContact O-CG 3.46Å; A572-M576 PolarHBondContact O-N 3.42Å; C573-M576 HydrophobicContact CB-CE 4.29Å; C573-M576 WeakPolarHBondContact O-CB 3.41Å; C573-M576 PolarHBondContact O-N 2.97Å; Y574-M576 VanDerWaalsContact C-N 3.34Å; Y574-M576 PolarHBondContact O-N 2.96Å; M576-T579 PolarHBondContact O-N 2.96Å; M576-W580 WeakPolarHBondContact O-CB 3.5Å; M576-W580 PolarHBondContact O-N 3.03Å; M576-L599 HydrophobicContact CG-CD1 3.88Å
577	I	93.4	Very high	93.8	Very high	79 Å²	79	53.4 Å²	53.4	41%	0.405	27%	0.273	S	S	.	.	H	α-helix	trans	-61.5	-47.7	176.3	-63.5	168.5	0	0	0	110.3	C573 Y574 T579 W580 I581 I986	C573-I577 PolarHBondContact O-N 3.07Å; C573-I577 VanDerWaalsContact O-N 3.14Å; Y574-I577 PolarHBondContact O-N 2.92Å; I577-T579 VanDerWaalsContact C-N 3.33Å; I577-T579 PolarHBondContact O-N 3.05Å; I577-W580 PolarHBondContact O-N 3.36Å; I577-I581 HydrophobicContact CG2-CD1 3.88Å; I577-I581 WeakPolarHBondContact O-CG1 3.49Å; I577-I581 PolarHBondContact O-N 2.87Å; I577-I986 HydrophobicContact CG2-CG2 4.4Å
578	R	93.1	Very high	93.3	Very high	77 Å²	77	52.9 Å²	52.9	29%	0.291	27%	0.273	S	S	.	.	H	α-helix	trans	-60.8	-40.9	177	-69.1	-141	-63.3	173.3	-3.2	112.7	Y574 A575 I581 W582 F602 N606	Y574-R578 HydrophobicContact CE1-CG 4.18Å; Y574-R578 HydrophobicContact CE2-CG 4.2Å; Y574-R578 WeakPolarHBondContact O-CG 3.29Å; Y574-R578 PolarHBondContact O-N 3.47Å; A575-R578 PolarHBondContact O-N 3.03Å; R578-I581 PolarHBondContact O-N 2.93Å; R578-W582 WeakPolarHBondContact O-CB 3.48Å; R578-W582 PolarHBondContact O-N 2.92Å; R578-F602 HydrophobicContact CB-CD2 4.4Å; R578-F602 HydrophobicContact CB-CG 4.44Å; R578-N606 PolarHBondContact NH2-OD1 2.78Å
579	T	94.3	Very high	92.4	Very high	8 Å²	8	60 Å²	60	5%	0.049	31%	0.308	C	S	.	.	H	α-helix	trans	-64.1	-41.4	175.9	-53.9	0	0	0	0	111.8	A575 M576 I577 W582 S583 L595 L599	A575-T579 WeakPolarHBondContact O-CB 3.27Å; A575-T579 PolarHBondContact O-N 3.43Å; A575-T579 PolarHBondContact O-OG1 2.96Å; M576-T579 PolarHBondContact O-N 2.96Å; I577-T579 VanDerWaalsContact C-N 3.33Å; I577-T579 PolarHBondContact O-N 3.05Å; T579-W582 PolarHBondContact O-N 3.05Å; T579-S583 WeakPolarHBondContact O-CB 3.35Å; T579-S583 PolarHBondContact O-N 3.48Å; T579-L595 HydrophobicContact CG2-CD1 3.67Å; T579-L595 HydrophobicContact CG2-CG 4.18Å; T579-L599 HydrophobicContact CG2-CB 4.12Å; T579-L599 WeakPolarHBondContact OG1-CA 3.28Å; T579-L599 WeakPolarHBondContact OG1-CD1 3.45Å
580	W	91.5	Very high	91.9	Very high	119 Å²	119	65.9 Å²	65.9	45%	0.451	32%	0.32	S	S	.	.	H	α-helix	trans	-65.6	-42.8	178.3	174.3	73.9	0	0	0	112.2	M576 I577 W582 S583 R584 F990	M576-W580 WeakPolarHBondContact O-CB 3.5Å; M576-W580 PolarHBondContact O-N 3.03Å; I577-W580 PolarHBondContact O-N 3.36Å; W580-W582 VanDerWaalsContact C-N 3.35Å; W580-S583 PolarHBondContact O-N 2.89Å; W580-S583 PolarHBondContact O-OG 3.25Å; W580-R584 WeakPolarHBondContact O-CG 3.48Å; W580-R584 PolarHBondContact O-N 3.47Å; W580-R584 VanDerWaalsContact O-N 3.15Å; W580-F990 HydrophobicContact CH2-CE1 4.25Å; W580-F990 HydrophobicContact CZ3-CE1 4.48Å
581	I	91.3	Very high	91.2	Very high	12 Å²	12	68.5 Å²	68.5	6%	0.062	33%	0.334	C	S	.	.	H	α-helix	trans	-61.9	-46.8	173.8	-66.5	166.5	0	0	0	109.8	I577 R578 S583 R584 R585 I986 D987	I577-I581 HydrophobicContact CG2-CD1 3.88Å; I577-I581 WeakPolarHBondContact O-CG1 3.49Å; I577-I581 PolarHBondContact O-N 2.87Å; R578-I581 PolarHBondContact O-N 2.93Å; I581-S583 VanDerWaalsContact C-N 3.34Å; I581-S583 PolarHBondContact O-N 3.47Å; I581-R584 PolarHBondContact O-N 2.68Å; I581-R585 WeakPolarHBondContact O-CG 3.46Å; I581-R585 PolarHBondContact O-N 3.36Å; I581-I986 HydrophobicContact CD1-CG2 3.8Å; I581-I986 WeakPolarHBondContact CD1-O 3.24Å; I581-D987 WeakPolarHBondContact CG2-O 3.24Å
582	W	92.8	Very high	90.8	Very high	32 Å²	32	72.5 Å²	72.5	12%	0.121	35%	0.354	C	S	.	.	H	α-helix	trans	-59.2	-42	176.6	174.4	81.4	0	0	0	112.5	R578 T579 W580 R584 R585 A586 V588 M594 L595 K598 F602	R578-W582 WeakPolarHBondContact O-CB 3.48Å; R578-W582 PolarHBondContact O-N 2.92Å; T579-W582 PolarHBondContact O-N 3.05Å; W580-W582 VanDerWaalsContact C-N 3.35Å; W582-R584 VanDerWaalsContact C-N 3.31Å; W582-R584 PolarHBondContact O-N 2.66Å; W582-R585 PolarHBondContact O-N 2.91Å; W582-A586 HydrophobicContact CD2-CB 4.5Å; W582-A586 HydrophobicContact CH2-CB 4.31Å; W582-A586 HydrophobicContact CZ2-CB 4.03Å; W582-A586 VanDerWaalsContact O-CB 3.27Å; W582-A586 WeakPolarHBondContact O-CB 3.42Å; W582-A586 PolarHBondContact O-N 3.26Å; W582-V588 HydrophobicContact CH2-CG2 4.48Å; W582-M594 HydrophobicContact CH2-CG 3.85Å; W582-M594 HydrophobicContact CZ2-CE 4.34Å; W582-M594 HydrophobicContact CZ2-CG 4.47Å; W582-L595 HydrophobicContact CE3-CD1 4.3Å; W582-L595 HydrophobicContact CZ3-CD1 4.06Å; W582-K598 HydrophobicContact CD2-CB 4.42Å; W582-K598 HydrophobicContact CD2-CD 4.4Å; W582-K598 HydrophobicContact CD2-CG 4.01Å; W582-K598 HydrophobicContact CE3-CB 4.05Å; W582-K598 HydrophobicContact CE3-CG 3.91Å; W582-K598 HydrophobicContact CH2-CG 3.73Å; W582-K598 HydrophobicContact CZ2-CD 4.24Å; W582-K598 HydrophobicContact CZ2-CG 3.8Å; W582-K598 HydrophobicContact CZ3-CB 4.13Å; W582-K598 HydrophobicContact CZ3-CG 3.77Å; W582-F602 HydrophobicContact CB-CE2 3.99Å; W582-F602 HydrophobicContact CB-CZ 4.35Å; W582-F602 HydrophobicContact CG-CE2 4.18Å; W582-F602 HydrophobicContact CG-CZ 4.39Å
583	S	91.2	Very high	90.6	Very high	15 Å²	15	73.8 Å²	73.8	11%	0.105	37%	0.365	C	S	.	.	H	α-helix	trans	-65.3	-36.2	-179.4	68.6	0	0	0	0	112.1	T579 W580 I581 A586 G587 V588	T579-S583 WeakPolarHBondContact O-CB 3.35Å; T579-S583 PolarHBondContact O-N 3.48Å; W580-S583 PolarHBondContact O-N 2.89Å; W580-S583 PolarHBondContact O-OG 3.25Å; I581-S583 VanDerWaalsContact C-N 3.34Å; I581-S583 PolarHBondContact O-N 3.47Å; S583-A586 PolarHBondContact O-N 2.65Å; S583-G587 PolarHBondContact O-N 2.99Å; S583-G587 VanDerWaalsContact O-N 3.1Å; S583-V588 PolarHBondContact O-N 3.23Å
584	R	89	Confident	90.3	Very high	88 Å²	88	75.3 Å²	75.3	33%	0.332	37%	0.367	S	S	.	.	H	α-helix	trans	-64.4	-49.7	172.4	-70.8	-174.9	67.5	170.4	2.2	111.4	W580 I581 W582 A586 G587 E989 F990 D991	W580-R584 WeakPolarHBondContact O-CG 3.48Å; W580-R584 PolarHBondContact O-N 3.47Å; W580-R584 VanDerWaalsContact O-N 3.15Å; I581-R584 PolarHBondContact O-N 2.68Å; W582-R584 VanDerWaalsContact C-N 3.31Å; W582-R584 PolarHBondContact O-N 2.66Å; R584-A586 PolarHBondContact O-N 3.29Å; R584-G587 PolarHBondContact O-N 3.18Å; R584-E989 PolarHBondContact NH1-O 2.9Å; R584-E989 PolarHBondContact NH2-O 3.34Å; R584-F990 PolarHBondContact NH2-O 3.39Å; R584-D991 PolarHBondContact NH2-O 2.91Å
585	R	91.2	Very high	90.2	Very high	26 Å²	26	70.6 Å²	70.6	10%	0.098	35%	0.351	C	S	.	.	H	α-helix	trans	-60.7	-30.6	176.9	-71.7	-178.4	178.8	165.7	2.3	113.2	I581 W582 Q861 N863 F864 R911 D987 E989	I581-R585 WeakPolarHBondContact O-CG 3.46Å; I581-R585 PolarHBondContact O-N 3.36Å; W582-R585 PolarHBondContact O-N 2.91Å; R585-Q861 HydrophobicContact CB-CB 4.3Å; R585-Q861 HydrophobicContact CB-CG 4.35Å; R585-N863 CarbonylContact O-C 3.5Å; R585-N863 WeakPolarHBondContact O-CA 3.26Å; R585-N863 WeakPolarHBondContact O-CB 3.37Å; R585-N863 PolarHBondContact O-N 3.38Å; R585-F864 HydrophobicContact CB-CB 3.62Å; R585-F864 HydrophobicContact CB-CG 4.1Å; R585-F864 HydrophobicContact CG-CB 3.7Å; R585-F864 HydrophobicContact CG-CD1 4.38Å; R585-F864 HydrophobicContact CG-CD2 3.83Å; R585-F864 HydrophobicContact CG-CG 3.71Å; R585-R911 VanDerWaalsContact NH2-CZ 3.32Å; R585-D987 IonicContact CZ-OD2 3.31Å; R585-D987 IonicContact NH1-OD2 3.83Å; R585-D987 PolarHBondContact NH1-OD2 2.87Å; R585-D987 PolarHBondContact NH2-O 2.63Å; R585-D987 IonicContact NH2-OD1 3.92Å; R585-D987 PolarHBondContact NH2-OD1 2.8Å; R585-D987 IonicContact NH2-OD2 3.13Å; R585-D987 PolarHBondContact NH2-OD2 2.74Å; R585-D987 VanDerWaalsContact NH2-OD2 3.12Å; R585-E989 IonicContact CZ-OE1 2.75Å; R585-E989 IonicContact CZ-OE2 3.65Å; R585-E989 IonicContact NE-OE1 3.11Å; R585-E989 IonicContact NE-OE2 3.62Å; R585-E989 PolarHBondContact NE-OE2 3.14Å; R585-E989 IonicContact NH2-OE1 3.94Å; R585-E989 PolarHBondContact NH2-OE1 2.92Å; R585-E989 IonicContact NH2-OE2 3.56Å; R585-E989 PolarHBondContact NH2-OE2 2.91Å
586	A	90.2	Very high	90.1	Very high	17 Å²	17	74.6 Å²	74.6	14%	0.14	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-6.2	176	0	0	0	0	0	114	W582 S583 R584 V588 S862	W582-A586 HydrophobicContact CD2-CB 4.5Å; W582-A586 HydrophobicContact CH2-CB 4.31Å; W582-A586 HydrophobicContact CZ2-CB 4.03Å; W582-A586 VanDerWaalsContact O-CB 3.27Å; W582-A586 WeakPolarHBondContact O-CB 3.42Å; W582-A586 PolarHBondContact O-N 3.26Å; S583-A586 PolarHBondContact O-N 2.65Å; R584-A586 PolarHBondContact O-N 3.29Å; A586-V588 HydrophobicContact CB-CG2 3.83Å; A586-V588 PolarHBondContact O-N 3.49Å; A586-S862 WeakPolarHBondContact CA-OG 3.49Å; A586-S862 PolarHBondContact O-OG 3.37Å
587	G	86.9	Confident	90.1	Very high	30 Å²	30	73.8 Å²	73.8	31%	0.309	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	22.9	-176.2	0	0	0	0	0	114.2	S583 R584 L589 N863	S583-G587 PolarHBondContact O-N 2.99Å; S583-G587 VanDerWaalsContact O-N 3.1Å; R584-G587 PolarHBondContact O-N 3.18Å; G587-L589 PolarHBondContact O-N 2.95Å; G587-N863 WeakPolarHBondContact CA-ND2 3.25Å
588	V	86	Confident	90.2	Very high	49 Å²	49	70.7 Å²	70.7	30%	0.297	36%	0.356	S	S	.	.			trans	-81.7	104.2	-179.1	177.9	0	0	0	0	108.7	W582 S583 A586 R590	W582-V588 HydrophobicContact CH2-CG2 4.48Å; S583-V588 PolarHBondContact O-N 3.23Å; A586-V588 HydrophobicContact CB-CG2 3.83Å; A586-V588 PolarHBondContact O-N 3.49Å; V588-R590 WeakPolarHBondContact CG1-O 3.42Å
589	L	78.6	Confident	90.3	Very high	174 Å²	174	70 Å²	70	91%	0.911	36%	0.357	S	S	*	.			trans	-87.4	-17.7	-179	-73.3	141.5	0	0	0	113.6	G587	G587-L589 PolarHBondContact O-N 2.95Å
590	R	85.7	Confident	90.4	Very high	214 Å²	214	74.7 Å²	74.7	81%	0.808	38%	0.381	S	S	*	.	S	Bend	trans	-118.6	150.4	-174.2	-65.1	-176.7	179.2	177.6	-0.2	110.8	V588 D592	V588-R590 WeakPolarHBondContact CG1-O 3.42Å; R590-D592 PolarHBondContact O-N 3.37Å; R590-D592 VanDerWaalsContact O-N 3.11Å
591	L	84.2	Confident	90.7	Very high	165 Å²	165	70.9 Å²	70.9	86%	0.864	37%	0.369	S	S	*	.			trans	-63.6	111.8	168.3	-63.5	175.2	0	0	0	108.5	L595	L591-L595 HydrophobicContact CD2-CD2 3.52Å
592	D	87.9	Confident	90.9	Very high	93 Å²	93	71.5 Å²	71.5	50%	0.497	37%	0.371	S	S	.	.			trans	-121.7	157.4	178.5	-174.9	15.5	0	0	0	109.5	R590 M594 L595 V596	R590-D592 PolarHBondContact O-N 3.37Å; R590-D592 VanDerWaalsContact O-N 3.11Å; D592-M594 PolarHBondContact O-N 3.41Å; D592-L595 VanDerWaalsContact O-CB 3.31Å; D592-L595 WeakPolarHBondContact O-CB 3.49Å; D592-L595 PolarHBondContact O-N 2.89Å; D592-V596 PolarHBondContact O-N 3.22Å
593	A	91	Very high	91.2	Very high	65 Å²	65	70.8 Å²	70.8	54%	0.537	37%	0.372	S	S	.	.	H	α-helix	trans	-54.3	-36.3	175.9	0	0	0	0	0	111.6	L595 V596 I597	A593-L595 VanDerWaalsContact C-N 3.32Å; A593-L595 PolarHBondContact O-N 2.86Å; A593-V596 PolarHBondContact O-N 3.32Å; A593-I597 VanDerWaalsContact O-CG1 3.32Å; A593-I597 WeakPolarHBondContact O-CG1 3.29Å; A593-I597 PolarHBondContact O-N 2.72Å
594	M	91.4	Very high	91.5	Very high	86 Å²	86	70.5 Å²	70.5	42%	0.424	37%	0.371	S	S	.	.	H	α-helix	trans	-62	-36.6	176.7	-175	57.2	167	0	0	113.2	W582 D592 V596 I597 K598	W582-M594 HydrophobicContact CH2-CG 3.85Å; W582-M594 HydrophobicContact CZ2-CE 4.34Å; W582-M594 HydrophobicContact CZ2-CG 4.47Å; D592-M594 PolarHBondContact O-N 3.41Å; M594-V596 VanDerWaalsContact C-N 3.34Å; M594-I597 PolarHBondContact O-N 2.89Å; M594-K598 VanDerWaalsContact CE-CE 3.47Å; M594-K598 HydrophobicContact CE-CG 4.4Å; M594-K598 WeakPolarHBondContact O-CG 3.26Å; M594-K598 PolarHBondContact O-N 2.92Å
595	L	93.1	Very high	91.8	Very high	29 Å²	29	66.3 Å²	66.3	15%	0.152	36%	0.355	C	S	.	.	H	α-helix	trans	-62.7	-44.3	175.9	-175.8	75.8	0	0	0	110.7	T579 W582 L591 D592 A593 K598 L599	T579-L595 HydrophobicContact CG2-CD1 3.67Å; T579-L595 HydrophobicContact CG2-CG 4.18Å; W582-L595 HydrophobicContact CE3-CD1 4.3Å; W582-L595 HydrophobicContact CZ3-CD1 4.06Å; L591-L595 HydrophobicContact CD2-CD2 3.52Å; D592-L595 VanDerWaalsContact O-CB 3.31Å; D592-L595 WeakPolarHBondContact O-CB 3.49Å; D592-L595 PolarHBondContact O-N 2.89Å; A593-L595 VanDerWaalsContact C-N 3.32Å; A593-L595 PolarHBondContact O-N 2.86Å; L595-K598 PolarHBondContact O-N 3.44Å; L595-L599 PolarHBondContact O-N 2.77Å
596	V	93.8	Very high	92.1	Very high	83 Å²	83	65.5 Å²	65.5	50%	0.503	35%	0.353	S	S	.	.	H	α-helix	trans	-65.2	-43.6	178.1	-179.3	0	0	0	0	110.7	D592 A593 M594 K598 L599 I600	D592-V596 PolarHBondContact O-N 3.22Å; A593-V596 PolarHBondContact O-N 3.32Å; M594-V596 VanDerWaalsContact C-N 3.34Å; V596-K598 VanDerWaalsContact C-N 3.32Å; V596-K598 PolarHBondContact O-N 3.35Å; V596-L599 WeakPolarHBondContact O-CB 3.2Å; V596-L599 PolarHBondContact O-N 3.41Å; V596-I600 HydrophobicContact CG1-CD1 4.15Å; V596-I600 WeakPolarHBondContact O-CG1 3.15Å; V596-I600 PolarHBondContact O-N 3.35Å
597	I	95.5	Very high	92.5	Very high	89 Å²	89	66.7 Å²	66.7	46%	0.456	36%	0.356	S	S	.	.	H	α-helix	trans	-59.3	-44.6	175.7	-68.3	169.3	0	0	0	110.5	A593 M594 L599 I600 L601	A593-I597 VanDerWaalsContact O-CG1 3.32Å; A593-I597 WeakPolarHBondContact O-CG1 3.29Å; A593-I597 PolarHBondContact O-N 2.72Å; M594-I597 PolarHBondContact O-N 2.89Å; I597-L599 PolarHBondContact O-N 3.15Å; I597-I600 PolarHBondContact O-N 3.32Å; I597-L601 HydrophobicContact CG2-CD1 3.76Å; I597-L601 HydrophobicContact CG2-CG 4.34Å; I597-L601 VanDerWaalsContact O-CG 3.29Å; I597-L601 WeakPolarHBondContact O-CG 3.21Å; I597-L601 PolarHBondContact O-N 2.91Å
598	K	94.8	Very high	93	Very high	14 Å²	14	65.3 Å²	65.3	6%	0.061	34%	0.342	C	S	.	.	H	α-helix	trans	-63.3	-40.1	177	-74.2	-69.1	-173.6	176	0	112.6	W582 M594 L595 V596 I600 L601 F602 H660 V664	W582-K598 HydrophobicContact CD2-CB 4.42Å; W582-K598 HydrophobicContact CD2-CD 4.4Å; W582-K598 HydrophobicContact CD2-CG 4.01Å; W582-K598 HydrophobicContact CE3-CB 4.05Å; W582-K598 HydrophobicContact CE3-CG 3.91Å; W582-K598 HydrophobicContact CH2-CG 3.73Å; W582-K598 HydrophobicContact CZ2-CD 4.24Å; W582-K598 HydrophobicContact CZ2-CG 3.8Å; W582-K598 HydrophobicContact CZ3-CB 4.13Å; W582-K598 HydrophobicContact CZ3-CG 3.77Å; M594-K598 VanDerWaalsContact CE-CE 3.47Å; M594-K598 HydrophobicContact CE-CG 4.4Å; M594-K598 WeakPolarHBondContact O-CG 3.26Å; M594-K598 PolarHBondContact O-N 2.92Å; L595-K598 PolarHBondContact O-N 3.44Å; V596-K598 VanDerWaalsContact C-N 3.32Å; V596-K598 PolarHBondContact O-N 3.35Å; K598-I600 VanDerWaalsContact C-N 3.33Å; K598-I600 PolarHBondContact O-N 3.42Å; K598-L601 PolarHBondContact O-N 3.01Å; K598-F602 HydrophobicContact CB-CD2 4.35Å; K598-F602 HydrophobicContact CB-CE2 4.16Å; K598-F602 HydrophobicContact CD-CE2 4.38Å; K598-F602 WeakPolarHBondContact O-CB 3.47Å; K598-F602 WeakPolarHBondContact O-CD2 3.44Å; K598-F602 WeakPolarHBondContact O-CG 3.41Å; K598-F602 PolarHBondContact O-N 3.43Å; K598-H660 WeakPolarHBondContact CD-NE2 3.47Å; K598-H660 PolarHBondContact NZ-NE2 3.46Å; K598-V664 VanDerWaalsContact NZ-CG2 3.33Å
599	L	95.9	Very high	93.6	Very high	62 Å²	62	64.2 Å²	64.2	33%	0.325	33%	0.334	S	S	.	.	H	α-helix	trans	-58.3	-46.2	174.1	-179.8	62	0	0	0	111.7	A575 M576 T579 L595 V596 I597 A603	A575-L599 HydrophobicContact CB-CD1 4.38Å; M576-L599 HydrophobicContact CG-CD1 3.88Å; T579-L599 HydrophobicContact CG2-CB 4.12Å; T579-L599 WeakPolarHBondContact OG1-CA 3.28Å; T579-L599 WeakPolarHBondContact OG1-CD1 3.45Å; L595-L599 PolarHBondContact O-N 2.77Å; V596-L599 WeakPolarHBondContact O-CB 3.2Å; V596-L599 PolarHBondContact O-N 3.41Å; I597-L599 PolarHBondContact O-N 3.15Å; L599-A603 WeakPolarHBondContact O-CB 3.17Å; L599-A603 PolarHBondContact O-N 3.39Å
600	I	96.7	Very high	94.5	Very high	107 Å²	107	56.1 Å²	56.1	55%	0.549	29%	0.293	S	S	.	.	H	α-helix	trans	-62.7	-45.2	178.8	-66.4	167.3	0	0	0	110.9	V596 I597 K598 A603 A604	V596-I600 HydrophobicContact CG1-CD1 4.15Å; V596-I600 WeakPolarHBondContact O-CG1 3.15Å; V596-I600 PolarHBondContact O-N 3.35Å; I597-I600 PolarHBondContact O-N 3.32Å; K598-I600 VanDerWaalsContact C-N 3.33Å; K598-I600 PolarHBondContact O-N 3.42Å; I600-A603 PolarHBondContact O-N 2.99Å; I600-A604 WeakPolarHBondContact O-CB 3.3Å; I600-A604 PolarHBondContact O-N 3.04Å
601	L	97.3	Very high	95.1	Very high	39 Å²	39	47.1 Å²	47.1	20%	0.204	26%	0.259	C	S	.	.	H	α-helix	trans	-65.9	-44.4	-179.4	-66.5	170.8	0	0	0	112	I597 K598 A603 A604 G605 I656 H660	I597-L601 HydrophobicContact CG2-CD1 3.76Å; I597-L601 HydrophobicContact CG2-CG 4.34Å; I597-L601 VanDerWaalsContact O-CG 3.29Å; I597-L601 WeakPolarHBondContact O-CG 3.21Å; I597-L601 PolarHBondContact O-N 2.91Å; K598-L601 PolarHBondContact O-N 3.01Å; L601-A603 VanDerWaalsContact C-N 3.34Å; L601-A603 PolarHBondContact O-N 3.06Å; L601-A604 PolarHBondContact O-N 3.27Å; L601-G605 PolarHBondContact O-N 2.89Å; L601-I656 HydrophobicContact CD2-CG2 3.43Å; L601-I656 VanDerWaalsContact CD2-CG2 3.43Å; L601-H660 HydrophobicContact CD1-CB 4.49Å; L601-H660 VanDerWaalsContact CD1-CD2 3.41Å; L601-H660 WeakPolarHBondContact CD1-CD2 3.43Å
602	F	96.9	Very high	95.7	Very high	24 Å²	24	40.1 Å²	40.1	11%	0.105	22%	0.223	C	C	.	.	H	α-helix	trans	-67.1	-35.5	175.2	-68.8	-45.5	0	0	0	112.6	A575 R578 W582 K598 N606 H660	A575-F602 HydrophobicContact CB-CB 4.18Å; R578-F602 HydrophobicContact CB-CD2 4.4Å; R578-F602 HydrophobicContact CB-CG 4.44Å; W582-F602 HydrophobicContact CB-CE2 3.99Å; W582-F602 HydrophobicContact CB-CZ 4.35Å; W582-F602 HydrophobicContact CG-CE2 4.18Å; W582-F602 HydrophobicContact CG-CZ 4.39Å; K598-F602 HydrophobicContact CB-CD2 4.35Å; K598-F602 HydrophobicContact CB-CE2 4.16Å; K598-F602 HydrophobicContact CD-CE2 4.38Å; K598-F602 WeakPolarHBondContact O-CB 3.47Å; K598-F602 WeakPolarHBondContact O-CD2 3.44Å; K598-F602 WeakPolarHBondContact O-CG 3.41Å; K598-F602 PolarHBondContact O-N 3.43Å; F602-N606 WeakPolarHBondContact O-CB 3.4Å; F602-N606 PolarHBondContact O-N 3.43Å; F602-N606 VanDerWaalsContact O-N 3.15Å; F602-N606 PolarHBondContact O-ND2 2.93Å; F602-H660 AromaticContact CD1-CE1 3.96Å; F602-H660 AromaticContact CE1-CE1 3.56Å
603	A	97.6	Very high	96.2	Very high	17 Å²	17	38.8 Å²	38.8	14%	0.14	22%	0.215	C	C	.	.	H	α-helix	trans	-65.4	-42.4	174.6	0	0	0	0	0	111.3	A575 L599 I600 L601 G605 N606 I607	A575-A603 HydrophobicContact CB-CB 3.95Å; L599-A603 WeakPolarHBondContact O-CB 3.17Å; L599-A603 PolarHBondContact O-N 3.39Å; I600-A603 PolarHBondContact O-N 2.99Å; L601-A603 VanDerWaalsContact C-N 3.34Å; L601-A603 PolarHBondContact O-N 3.06Å; A603-G605 PolarHBondContact O-N 3.15Å; A603-N606 PolarHBondContact O-N 3.29Å; A603-I607 HydrophobicContact CB-CD1 4.31Å; A603-I607 VanDerWaalsContact O-CB 3.3Å; A603-I607 WeakPolarHBondContact O-CB 3.43Å; A603-I607 WeakPolarHBondContact O-CD1 3.31Å; A603-I607 WeakPolarHBondContact O-CG1 3.34Å; A603-I607 PolarHBondContact O-N 2.91Å
604	A	97.5	Very high	96.5	Very high	9 Å²	9	36.3 Å²	36.3	7%	0.074	19%	0.193	C	C	.	.	H	α-helix	trans	-55.6	-51.3	176.9	0	0	0	0	0	111.8	I600 L601 N606 I607 S608 L653 I656	I600-A604 WeakPolarHBondContact O-CB 3.3Å; I600-A604 PolarHBondContact O-N 3.04Å; L601-A604 PolarHBondContact O-N 3.27Å; A604-N606 PolarHBondContact O-N 3.48Å; A604-I607 PolarHBondContact O-N 2.93Å; A604-S608 WeakPolarHBondContact O-CB 3.41Å; A604-S608 PolarHBondContact O-N 3.36Å; A604-L653 HydrophobicContact CB-CB 4.36Å; A604-L653 HydrophobicContact CB-CD2 3.84Å; A604-L653 WeakPolarHBondContact O-CB 3.32Å; A604-I656 HydrophobicContact CB-CG2 4.42Å
605	G	96.7	Very high	96.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-41.9	177.9	0	0	0	0	0	114	L601 A603 S608 N609 K654 D657	L601-G605 PolarHBondContact O-N 2.89Å; A603-G605 PolarHBondContact O-N 3.15Å; G605-S608 WeakPolarHBondContact O-CB 3.47Å; G605-N609 PolarHBondContact O-N 3.08Å; G605-N609 PolarHBondContact O-ND2 2.9Å; G605-K654 PolarHBondContact O-NZ 3.35Å; G605-D657 WeakPolarHBondContact CA-OD2 3.47Å
606	N	97.4	Very high	96.9	Very high	10 Å²	10	33 Å²	33	5%	0.053	17%	0.174	C	C	.	.	H	α-helix	trans	-72	-39.4	179.9	-68.4	-10.1	0	0	0	112.5	A571 Y574 A575 R578 F602 A603 A604 S608 N609 A610	A571-N606 HydrophobicContact CB-CB 3.84Å; A571-N606 PolarHBondContact O-ND2 3.46Å; Y574-N606 WeakPolarHBondContact CD1-ND2 3.43Å; A575-N606 WeakPolarHBondContact CA-ND2 3.34Å; A575-N606 WeakPolarHBondContact CB-ND2 3.38Å; A575-N606 PolarHBondContact N-ND2 2.89Å; R578-N606 PolarHBondContact NH2-OD1 2.78Å; F602-N606 WeakPolarHBondContact O-CB 3.4Å; F602-N606 PolarHBondContact O-N 3.43Å; F602-N606 VanDerWaalsContact O-N 3.15Å; F602-N606 PolarHBondContact O-ND2 2.93Å; A603-N606 PolarHBondContact O-N 3.29Å; A604-N606 PolarHBondContact O-N 3.48Å; N606-S608 VanDerWaalsContact C-N 3.34Å; N606-N609 WeakPolarHBondContact O-CB 3.24Å; N606-N609 PolarHBondContact O-N 3.42Å; N606-A610 PolarHBondContact O-N 2.7Å
607	I	97.9	Very high	97.1	Very high	42 Å²	42	35 Å²	35	22%	0.215	18%	0.176	C	C	.	.	H	α-helix	trans	-67.2	-38.4	177.1	-69.3	166.6	0	0	0	110.3	A571 A603 A604 N609 A610 F611 L653	A571-I607 HydrophobicContact CB-CG1 4.18Å; A603-I607 HydrophobicContact CB-CD1 4.31Å; A603-I607 VanDerWaalsContact O-CB 3.3Å; A603-I607 WeakPolarHBondContact O-CB 3.43Å; A603-I607 WeakPolarHBondContact O-CD1 3.31Å; A603-I607 WeakPolarHBondContact O-CG1 3.34Å; A603-I607 PolarHBondContact O-N 2.91Å; A604-I607 PolarHBondContact O-N 2.93Å; I607-N609 VanDerWaalsContact C-N 3.31Å; I607-N609 PolarHBondContact O-N 3.08Å; I607-A610 WeakPolarHBondContact O-CB 3.44Å; I607-A610 PolarHBondContact O-N 3.31Å; I607-A610 VanDerWaalsContact O-N 3.15Å; I607-F611 HydrophobicContact CG2-CD1 4.34Å; I607-F611 HydrophobicContact CG2-CE1 4.06Å; I607-F611 HydrophobicContact CG2-CE2 4.45Å; I607-F611 HydrophobicContact CG2-CZ 4.11Å; I607-F611 PolarHBondContact O-N 3.26Å; I607-L653 HydrophobicContact CB-CD1 4.25Å; I607-L653 HydrophobicContact CG2-CD1 3.82Å
608	S	98.2	Very high	97.1	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-54.9	-47.3	171.4	175	0	0	0	0	111.9	A604 G605 N606 A610 F611 L612 A650 K654	A604-S608 WeakPolarHBondContact O-CB 3.41Å; A604-S608 PolarHBondContact O-N 3.36Å; G605-S608 WeakPolarHBondContact O-CB 3.47Å; N606-S608 VanDerWaalsContact C-N 3.34Å; S608-A610 VanDerWaalsContact C-N 3.35Å; S608-A610 PolarHBondContact O-N 2.94Å; S608-F611 PolarHBondContact O-N 2.99Å; S608-L612 PolarHBondContact O-N 3.33Å; S608-A650 WeakPolarHBondContact CB-O 3.39Å; S608-A650 PolarHBondContact OG-O 3.08Å; S608-K654 WeakPolarHBondContact OG-CB 3.37Å; S608-K654 VanDerWaalsContact OG-CE 3.24Å; S608-K654 WeakPolarHBondContact OG-CE 3.4Å
609	N	97.6	Very high	97.2	Very high	27 Å²	27	31.4 Å²	31.4	14%	0.144	16%	0.159	C	C	.	.	H	α-helix	trans	-62.4	-42.1	176.2	-66	-21.6	0	0	0	111.7	G605 N606 I607 F611 L612 I613 K654	G605-N609 PolarHBondContact O-N 3.08Å; G605-N609 PolarHBondContact O-ND2 2.9Å; N606-N609 WeakPolarHBondContact O-CB 3.24Å; N606-N609 PolarHBondContact O-N 3.42Å; I607-N609 VanDerWaalsContact C-N 3.31Å; I607-N609 PolarHBondContact O-N 3.08Å; N609-F611 VanDerWaalsContact C-N 3.35Å; N609-F611 PolarHBondContact O-N 3.3Å; N609-L612 PolarHBondContact O-N 2.68Å; N609-I613 WeakPolarHBondContact O-CB 3.5Å; N609-I613 WeakPolarHBondContact O-CD1 3.38Å; N609-I613 WeakPolarHBondContact O-CG1 3.49Å; N609-I613 PolarHBondContact O-N 3.12Å; N609-K654 WeakPolarHBondContact OD1-CE 3.3Å; N609-K654 PolarHBondContact OD1-NZ 3Å
610	A	97.7	Very high	97.1	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.033	15%	0.153	C	C	.	.	H	α-helix	trans	-58.4	-46.1	177.1	0	0	0	0	0	111.9	M567 A571 N606 I607 S608 I613 V614	M567-A610 HydrophobicContact CB-CB 3.9Å; A571-A610 HydrophobicContact CB-CB 4.11Å; N606-A610 PolarHBondContact O-N 2.7Å; I607-A610 WeakPolarHBondContact O-CB 3.44Å; I607-A610 PolarHBondContact O-N 3.31Å; I607-A610 VanDerWaalsContact O-N 3.15Å; S608-A610 VanDerWaalsContact C-N 3.35Å; S608-A610 PolarHBondContact O-N 2.94Å; A610-I613 PolarHBondContact O-N 3.04Å; A610-V614 WeakPolarHBondContact O-CG2 3.24Å; A610-V614 PolarHBondContact O-N 2.7Å
611	F	98	Very high	97	Very high	24 Å²	24	30.1 Å²	30.1	11%	0.105	15%	0.147	C	C	.	.	H	α-helix	trans	-63.4	-45.5	177.3	-76.2	7.3	0	0	0	111.9	M564 S568 I607 S608 N609 I613 V614 I615 Y646 I649 A650	M564-F611 HydrophobicContact CB-CE1 4.47Å; M564-F611 HydrophobicContact SD-CD1 3.54Å; M564-F611 VanDerWaalsContact SD-CD1 3.54Å; M564-F611 HydrophobicContact SD-CE1 3.96Å; M564-F611 HydrophobicContact SD-CG 4.17Å; S568-F611 WeakPolarHBondContact OG-CE1 2.97Å; I607-F611 HydrophobicContact CG2-CD1 4.34Å; I607-F611 HydrophobicContact CG2-CE1 4.06Å; I607-F611 HydrophobicContact CG2-CE2 4.45Å; I607-F611 HydrophobicContact CG2-CZ 4.11Å; I607-F611 PolarHBondContact O-N 3.26Å; S608-F611 PolarHBondContact O-N 2.99Å; N609-F611 VanDerWaalsContact C-N 3.35Å; N609-F611 PolarHBondContact O-N 3.3Å; F611-I613 VanDerWaalsContact C-N 3.33Å; F611-I613 PolarHBondContact O-N 3.16Å; F611-V614 PolarHBondContact O-N 2.95Å; F611-I615 WeakPolarHBondContact O-CG1 3.43Å; F611-I615 PolarHBondContact O-N 3.48Å; F611-Y646 AromaticContact CD2-CD1 3.97Å; F611-Y646 HydrophobicContact CD2-CD1 3.97Å; F611-Y646 AromaticContact CE2-CD1 3.9Å; F611-Y646 HydrophobicContact CE2-CD1 3.9Å; F611-Y646 HydrophobicContact CE2-CE1 4.4Å; F611-Y646 HydrophobicContact CG-CD1 4.37Å; F611-Y646 HydrophobicContact CZ-CD1 4.22Å; F611-Y646 HydrophobicContact CZ-CE1 4.32Å; F611-I649 HydrophobicContact CD2-CB 4.42Å; F611-I649 HydrophobicContact CD2-CG2 4.16Å; F611-I649 HydrophobicContact CE2-CB 4.23Å; F611-I649 HydrophobicContact CE2-CG2 3.7Å; F611-A650 HydrophobicContact CB-CB 3.9Å; F611-A650 HydrophobicContact CD2-CB 4.42Å
612	L	97.5	Very high	96.9	Very high	19 Å²	19	28.8 Å²	28.8	10%	0.099	14%	0.139	C	C	.	.	H	α-helix	trans	-58.4	-45.8	176.7	178.7	61.5	0	0	0	111.6	S608 N609 I615 Y616 L816 T1021 L1025	S608-L612 PolarHBondContact O-N 3.33Å; N609-L612 PolarHBondContact O-N 2.68Å; L612-I615 PolarHBondContact O-N 2.98Å; L612-Y616 VanDerWaalsContact O-CB 3.25Å; L612-Y616 WeakPolarHBondContact O-CB 3.27Å; L612-Y616 PolarHBondContact O-N 3.39Å; L612-L816 HydrophobicContact CD1-CD1 3.83Å; L612-L816 HydrophobicContact CD1-CD2 3.86Å; L612-T1021 HydrophobicContact CD2-CG2 4.05Å; L612-L1025 HydrophobicContact CB-CD2 4.39Å; L612-L1025 HydrophobicContact CD1-CD2 3.89Å; L612-L1025 HydrophobicContact CD1-CG 4.34Å; L612-L1025 HydrophobicContact CD2-CG 4.26Å
613	I	96.8	Very high	96.7	Very high	65 Å²	65	28.9 Å²	28.9	33%	0.333	14%	0.141	S	C	.	.	H	α-helix	trans	-60.9	-49.4	179.2	-72.5	166.4	0	0	0	110.8	M567 N609 A610 F611 Y616 F617	M567-I613 HydrophobicContact CE-CG2 4.29Å; N609-I613 WeakPolarHBondContact O-CB 3.5Å; N609-I613 WeakPolarHBondContact O-CD1 3.38Å; N609-I613 WeakPolarHBondContact O-CG1 3.49Å; N609-I613 PolarHBondContact O-N 3.12Å; A610-I613 PolarHBondContact O-N 3.04Å; F611-I613 VanDerWaalsContact C-N 3.33Å; F611-I613 PolarHBondContact O-N 3.16Å; I613-Y616 PolarHBondContact O-N 3Å; I613-F617 HydrophobicContact CG2-CD2 3.76Å; I613-F617 HydrophobicContact CG2-CE2 3.87Å; I613-F617 VanDerWaalsContact O-CD2 3.23Å; I613-F617 WeakPolarHBondContact O-CD2 3.39Å; I613-F617 PolarHBondContact O-N 3.35Å
614	V	97.9	Very high	96.4	Very high	12 Å²	12	32 Å²	32	7%	0.073	15%	0.154	C	C	.	.	H	α-helix	trans	-62.7	-47.8	-179.4	175.5	0	0	0	0	110.7	L560 A563 M564 M567 A610 F611 Y616 F617 V618	L560-V614 HydrophobicContact CD1-CG1 3.97Å; A563-V614 HydrophobicContact CB-CG1 4.11Å; M564-V614 HydrophobicContact CE-CB 3.83Å; M564-V614 HydrophobicContact CE-CG1 3.6Å; M564-V614 HydrophobicContact CG-CG1 4.23Å; M564-V614 HydrophobicContact SD-CB 3.74Å; M564-V614 HydrophobicContact SD-CG1 3.76Å; M564-V614 HydrophobicContact SD-CG2 4.1Å; M567-V614 HydrophobicContact CB-CG2 4Å; M567-V614 HydrophobicContact CG-CG2 3.68Å; A610-V614 WeakPolarHBondContact O-CG2 3.24Å; A610-V614 PolarHBondContact O-N 2.7Å; F611-V614 PolarHBondContact O-N 2.95Å; V614-Y616 VanDerWaalsContact C-N 3.33Å; V614-Y616 PolarHBondContact O-N 3.15Å; V614-F617 PolarHBondContact O-N 3.47Å; V614-V618 HydrophobicContact CG1-CG2 4.23Å; V614-V618 WeakPolarHBondContact O-CB 3.43Å; V614-V618 VanDerWaalsContact O-CG2 3.27Å; V614-V618 WeakPolarHBondContact O-CG2 3.23Å; V614-V618 PolarHBondContact O-N 3.14Å
615	I	97	Very high	96.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.8	-41.7	178.9	-67.5	-57.4	0	0	0	111.3	M564 F611 L612 V618 S619 F642 I643 Y646 I647 I812	M564-I615 HydrophobicContact CE-CD1 3.57Å; M564-I615 HydrophobicContact CE-CG1 3.81Å; F611-I615 WeakPolarHBondContact O-CG1 3.43Å; F611-I615 PolarHBondContact O-N 3.48Å; L612-I615 PolarHBondContact O-N 2.98Å; I615-V618 PolarHBondContact O-N 3.42Å; I615-S619 VanDerWaalsContact O-CB 3.24Å; I615-S619 WeakPolarHBondContact O-CB 3.24Å; I615-S619 PolarHBondContact O-N 2.85Å; I615-S619 PolarHBondContact O-OG 3.33Å; I615-F642 HydrophobicContact CD1-CD2 4.32Å; I615-F642 HydrophobicContact CD1-CE2 4.37Å; I615-I643 HydrophobicContact CG2-CG2 4.2Å; I615-Y646 HydrophobicContact CD1-CD2 4.04Å; I615-Y646 HydrophobicContact CD1-CG 4.29Å; I615-I647 HydrophobicContact CG2-CD1 4.15Å; I615-I647 HydrophobicContact CG2-CG1 4.25Å; I615-I812 HydrophobicContact CG2-CG2 4.29Å
616	Y	97.2	Very high	95.8	Very high	46 Å²	46	36.8 Å²	36.8	18%	0.18	17%	0.173	C	C	.	.	H	α-helix	trans	-58.4	-51.9	177	173.2	-116.3	0	0	0	111.5	L612 I613 V614 V618 S619 I620 L816	L612-Y616 VanDerWaalsContact O-CB 3.25Å; L612-Y616 WeakPolarHBondContact O-CB 3.27Å; L612-Y616 PolarHBondContact O-N 3.39Å; I613-Y616 PolarHBondContact O-N 3Å; V614-Y616 VanDerWaalsContact C-N 3.33Å; V614-Y616 PolarHBondContact O-N 3.15Å; Y616-V618 PolarHBondContact O-N 3.36Å; Y616-S619 PolarHBondContact O-N 3.46Å; Y616-I620 HydrophobicContact CE2-CD1 4.43Å; Y616-I620 PolarHBondContact O-N 3.44Å; Y616-L816 HydrophobicContact CD2-CB 3.48Å; Y616-L816 VanDerWaalsContact CD2-CB 3.48Å; Y616-L816 HydrophobicContact CD2-CD1 4.06Å; Y616-L816 HydrophobicContact CD2-CG 4.43Å; Y616-L816 HydrophobicContact CE2-CB 3.9Å; Y616-L816 HydrophobicContact CG-CB 4.48Å; Y616-L816 HydrophobicContact CG-CD1 4.48Å
617	F	97.2	Very high	95.3	Very high	124 Å²	124	38.1 Å²	38.1	54%	0.544	18%	0.179	S	C	.	.	H	α-helix	trans	-69.7	-31.8	-177.8	-78.5	-66.8	0	0	0	113.5	I613 V614 I620 Y621	I613-F617 HydrophobicContact CG2-CD2 3.76Å; I613-F617 HydrophobicContact CG2-CE2 3.87Å; I613-F617 VanDerWaalsContact O-CD2 3.23Å; I613-F617 WeakPolarHBondContact O-CD2 3.39Å; I613-F617 PolarHBondContact O-N 3.35Å; V614-F617 PolarHBondContact O-N 3.47Å; F617-I620 HydrophobicContact CD1-CG2 4.21Å; F617-I620 WeakPolarHBondContact O-CG2 3.3Å; F617-Y621 VanDerWaalsContact O-CB 3.24Å; F617-Y621 WeakPolarHBondContact O-CB 3.46Å; F617-Y621 PolarHBondContact O-N 3.11Å
618	V	95.8	Very high	94.9	Very high	28 Å²	28	41.6 Å²	41.6	17%	0.17	20%	0.202	C	C	.	.	H	α-helix	trans	-68.4	-43.4	171.8	170	0	0	0	0	110.7	F556 L560 V614 I615 Y616 Y621 F622	F556-V618 HydrophobicContact CE2-CG1 3.96Å; F556-V618 HydrophobicContact CZ-CG1 4.03Å; L560-V618 HydrophobicContact CD1-CG2 4.06Å; V614-V618 HydrophobicContact CG1-CG2 4.23Å; V614-V618 WeakPolarHBondContact O-CB 3.43Å; V614-V618 VanDerWaalsContact O-CG2 3.27Å; V614-V618 WeakPolarHBondContact O-CG2 3.23Å; V614-V618 PolarHBondContact O-N 3.14Å; I615-V618 PolarHBondContact O-N 3.42Å; Y616-V618 PolarHBondContact O-N 3.36Å; V618-Y621 WeakPolarHBondContact O-CB 3.25Å; V618-Y621 PolarHBondContact O-N 3.13Å; V618-F622 HydrophobicContact CG1-CD2 3.92Å; V618-F622 HydrophobicContact CG1-CE2 3.72Å; V618-F622 VanDerWaalsContact O-CD2 3.24Å; V618-F622 WeakPolarHBondContact O-CD2 3.29Å; V618-F622 PolarHBondContact O-N 2.95Å; V618-F622 VanDerWaalsContact O-N 3.08Å
619	S	95.8	Very high	94.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.8	-41.5	-179.2	-55	0	0	0	0	111.6	I615 Y616 F622 L623	I615-S619 VanDerWaalsContact O-CB 3.24Å; I615-S619 WeakPolarHBondContact O-CB 3.24Å; I615-S619 PolarHBondContact O-N 2.85Å; I615-S619 PolarHBondContact O-OG 3.33Å; Y616-S619 PolarHBondContact O-N 3.46Å; S619-F622 PolarHBondContact O-N 3.28Å; S619-L623 WeakPolarHBondContact O-CB 3.26Å; S619-L623 PolarHBondContact O-N 3.05Å
620	I	95.2	Very high	93.6	Very high	37 Å²	37	46 Å²	46	19%	0.19	23%	0.232	C	C	.	.	H	α-helix	trans	-69.8	-34.7	176.6	-156	172.1	0	0	0	111.9	Y616 F617 L623 I624	Y616-I620 HydrophobicContact CE2-CD1 4.43Å; Y616-I620 PolarHBondContact O-N 3.44Å; F617-I620 HydrophobicContact CD1-CG2 4.21Å; F617-I620 WeakPolarHBondContact O-CG2 3.3Å; I620-L623 PolarHBondContact O-N 2.94Å; I620-I624 HydrophobicContact CD1-CD1 4.44Å; I620-I624 HydrophobicContact CG1-CD1 3.91Å; I620-I624 HydrophobicContact CG1-CG1 4.31Å; I620-I624 WeakPolarHBondContact O-CB 3.37Å; I620-I624 WeakPolarHBondContact O-CG1 3.36Å; I620-I624 PolarHBondContact O-N 2.82Å
621	Y	94.8	Very high	93	Very high	105 Å²	105	47.9 Å²	47.9	41%	0.412	24%	0.243	S	C	.	.	H	α-helix	trans	-56.8	-51.9	171.6	169.5	-88.9	0	0	0	110.3	F617 V618 L623 I624 F625	F617-Y621 VanDerWaalsContact O-CB 3.24Å; F617-Y621 WeakPolarHBondContact O-CB 3.46Å; F617-Y621 PolarHBondContact O-N 3.11Å; V618-Y621 WeakPolarHBondContact O-CB 3.25Å; V618-Y621 PolarHBondContact O-N 3.13Å; Y621-L623 PolarHBondContact O-N 2.81Å; Y621-I624 PolarHBondContact O-N 3.48Å; Y621-F625 AromaticContact CD2-CD2 3.25Å; Y621-F625 HydrophobicContact CD2-CD2 3.25Å; Y621-F625 AromaticContact CD2-CE2 3.4Å; Y621-F625 HydrophobicContact CD2-CE2 3.4Å; Y621-F625 HydrophobicContact CD2-CG 4.35Å; Y621-F625 AromaticContact CE2-CD2 3.37Å; Y621-F625 HydrophobicContact CE2-CD2 3.37Å; Y621-F625 AromaticContact CE2-CE2 3.58Å; Y621-F625 HydrophobicContact CE2-CE2 3.58Å; Y621-F625 HydrophobicContact CE2-CG 4.11Å; Y621-F625 HydrophobicContact CE2-CZ 4.43Å; Y621-F625 AromaticContact CG-CD2 3.89Å; Y621-F625 HydrophobicContact CG-CD2 3.89Å; Y621-F625 HydrophobicContact CG-CE2 4.36Å; Y621-F625 WeakPolarHBondContact O-CB 3.46Å; Y621-F625 VanDerWaalsContact O-CD2 3.29Å; Y621-F625 WeakPolarHBondContact O-CD2 3.33Å; Y621-F625 PolarHBondContact O-N 3.44Å
622	F	93.8	Very high	92.2	Very high	12 Å²	12	47 Å²	47	5%	0.053	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-44.2	177.2	-76.5	-64.7	0	0	0	111.4	F556 V618 S619 I624 Y626 I634 N635 P637 I809 F810	F556-F622 HydrophobicContact CD2-CE2 4.27Å; F556-F622 AromaticContact CD2-CZ 3.93Å; F556-F622 HydrophobicContact CD2-CZ 3.93Å; F556-F622 AromaticContact CE2-CE2 3.49Å; F556-F622 HydrophobicContact CE2-CE2 3.49Å; F556-F622 VanDerWaalsContact CE2-CE2 3.49Å; F556-F622 AromaticContact CE2-CZ 3.61Å; F556-F622 HydrophobicContact CE2-CZ 3.61Å; F556-F622 AromaticContact CZ-CE2 3.78Å; F556-F622 HydrophobicContact CZ-CE2 3.78Å; F556-F622 HydrophobicContact CZ-CZ 4.12Å; V618-F622 HydrophobicContact CG1-CD2 3.92Å; V618-F622 HydrophobicContact CG1-CE2 3.72Å; V618-F622 VanDerWaalsContact O-CD2 3.24Å; V618-F622 WeakPolarHBondContact O-CD2 3.29Å; V618-F622 PolarHBondContact O-N 2.95Å; V618-F622 VanDerWaalsContact O-N 3.08Å; S619-F622 PolarHBondContact O-N 3.28Å; F622-I624 PolarHBondContact O-N 2.88Å; F622-Y626 WeakPolarHBondContact O-CA 3.48Å; F622-Y626 WeakPolarHBondContact O-CB 3.26Å; F622-Y626 PolarHBondContact O-N 3.33Å; F622-I634 HydrophobicContact CD1-CG2 4.13Å; F622-I634 HydrophobicContact CE1-CG2 4.28Å; F622-N635 WeakPolarHBondContact CE1-O 3.45Å; F622-P637 HydrophobicContact CD2-CG 4.5Å; F622-P637 HydrophobicContact CE1-CG 4.25Å; F622-P637 HydrophobicContact CE2-CG 3.72Å; F622-P637 HydrophobicContact CZ-CG 3.58Å; F622-I809 HydrophobicContact CB-CG2 3.96Å; F622-I809 HydrophobicContact CD2-CG2 4.1Å; F622-I809 HydrophobicContact CG-CG2 4.4Å; F622-F810 HydrophobicContact CB-CE1 3.91Å; F622-F810 WeakPolarHBondContact O-CE1 3.18Å
623	L	92.6	Very high	91.5	Very high	25 Å²	25	49.5 Å²	49.5	13%	0.131	25%	0.252	C	S	.	.	H	α-helix	trans	-56.5	-48.4	179.1	-179.4	68.2	0	0	0	112	S619 I620 Y621 K627 F810 A813 L814	S619-L623 WeakPolarHBondContact O-CB 3.26Å; S619-L623 PolarHBondContact O-N 3.05Å; I620-L623 PolarHBondContact O-N 2.94Å; Y621-L623 PolarHBondContact O-N 2.81Å; L623-K627 HydrophobicContact CD1-CG 4.34Å; L623-K627 WeakPolarHBondContact O-CB 3.28Å; L623-K627 WeakPolarHBondContact O-CG 3.28Å; L623-K627 PolarHBondContact O-N 3.49Å; L623-F810 HydrophobicContact CB-CD1 4.04Å; L623-F810 HydrophobicContact CD1-CB 3.95Å; L623-F810 HydrophobicContact CD1-CD1 4Å; L623-F810 HydrophobicContact CD1-CG 4.01Å; L623-A813 HydrophobicContact CB-CB 3.98Å; L623-A813 HydrophobicContact CD2-CB 3.89Å; L623-A813 HydrophobicContact CG-CB 4.49Å; L623-L814 HydrophobicContact CD2-CD2 3.83Å; L623-L814 HydrophobicContact CD2-CG 4.13Å
624	I	92.1	Very high	91	Very high	84 Å²	84	47.7 Å²	47.7	43%	0.431	24%	0.243	S	C	.	.	H	α-helix	trans	-71.1	-57.5	-177.4	-65.9	170	0	0	0	110	I620 Y621 F622 K627 V628	I620-I624 HydrophobicContact CD1-CD1 4.44Å; I620-I624 HydrophobicContact CG1-CD1 3.91Å; I620-I624 HydrophobicContact CG1-CG1 4.31Å; I620-I624 WeakPolarHBondContact O-CB 3.37Å; I620-I624 WeakPolarHBondContact O-CG1 3.36Å; I620-I624 PolarHBondContact O-N 2.82Å; Y621-I624 PolarHBondContact O-N 3.48Å; F622-I624 PolarHBondContact O-N 2.88Å; I624-K627 PolarHBondContact O-N 3.27Å; I624-V628 VanDerWaalsContact O-CB 3.25Å; I624-V628 WeakPolarHBondContact O-CB 3.25Å; I624-V628 WeakPolarHBondContact O-CG2 3.24Å; I624-V628 PolarHBondContact O-N 3.12Å
625	F	90.9	Very high	90.4	Very high	106 Å²	106	47.8 Å²	47.8	47%	0.465	24%	0.243	S	C	.	.	H	α-helix	trans	-77.3	-29.2	-167.9	-69.9	-78.6	0	0	0	113.3	Y621 Q629 I634	Y621-F625 AromaticContact CD2-CD2 3.25Å; Y621-F625 HydrophobicContact CD2-CD2 3.25Å; Y621-F625 AromaticContact CD2-CE2 3.4Å; Y621-F625 HydrophobicContact CD2-CE2 3.4Å; Y621-F625 HydrophobicContact CD2-CG 4.35Å; Y621-F625 AromaticContact CE2-CD2 3.37Å; Y621-F625 HydrophobicContact CE2-CD2 3.37Å; Y621-F625 AromaticContact CE2-CE2 3.58Å; Y621-F625 HydrophobicContact CE2-CE2 3.58Å; Y621-F625 HydrophobicContact CE2-CG 4.11Å; Y621-F625 HydrophobicContact CE2-CZ 4.43Å; Y621-F625 AromaticContact CG-CD2 3.89Å; Y621-F625 HydrophobicContact CG-CD2 3.89Å; Y621-F625 HydrophobicContact CG-CE2 4.36Å; Y621-F625 WeakPolarHBondContact O-CB 3.46Å; Y621-F625 VanDerWaalsContact O-CD2 3.29Å; Y621-F625 WeakPolarHBondContact O-CD2 3.33Å; Y621-F625 PolarHBondContact O-N 3.44Å; F625-Q629 WeakPolarHBondContact O-CB 3.46Å; F625-Q629 PolarHBondContact O-N 3.27Å; F625-I634 HydrophobicContact CB-CD1 3.37Å; F625-I634 HydrophobicContact CD1-CD1 4.42Å; F625-I634 HydrophobicContact CG-CD1 4.14Å
626	Y	89.9	Confident	90	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.008	25%	0.25	C	C	.	.	H	α-helix	trans	-72.4	-36.1	173.5	-174	-92.4	0	0	0	112.2	F622 Q629 I634 L636 S789 A791 F810	F622-Y626 WeakPolarHBondContact O-CA 3.48Å; F622-Y626 WeakPolarHBondContact O-CB 3.26Å; F622-Y626 PolarHBondContact O-N 3.33Å; Y626-Q629 VanDerWaalsContact CD2-NE2 3.32Å; Y626-Q629 WeakPolarHBondContact O-CG 3.29Å; Y626-Q629 PolarHBondContact O-NE2 3.49Å; Y626-I634 WeakPolarHBondContact CD2-O 3.32Å; Y626-I634 WeakPolarHBondContact CE2-O 3.49Å; Y626-L636 HydrophobicContact CD2-CG 4.12Å; Y626-L636 HydrophobicContact CE1-CD1 4.15Å; Y626-L636 HydrophobicContact CE1-CG 4.49Å; Y626-L636 HydrophobicContact CE2-CD1 4.23Å; Y626-L636 HydrophobicContact CE2-CG 3.95Å; Y626-S789 WeakPolarHBondContact CE1-O 3.46Å; Y626-S789 PolarHBondContact OH-O 3.13Å; Y626-A791 HydrophobicContact CE1-CB 4.05Å; Y626-F810 HydrophobicContact CD1-CE1 4.48Å; Y626-F810 AromaticContact CD1-CE2 3.86Å; Y626-F810 HydrophobicContact CD1-CE2 3.86Å; Y626-F810 AromaticContact CD1-CZ 3.38Å; Y626-F810 HydrophobicContact CD1-CZ 3.38Å; Y626-F810 HydrophobicContact CE1-CE2 4.16Å; Y626-F810 HydrophobicContact CE1-CZ 4.03Å; Y626-F810 AromaticContact CG-CZ 3.76Å; Y626-F810 HydrophobicContact CG-CZ 3.76Å
627	K	88.5	Confident	89.6	Confident	38 Å²	38	47.7 Å²	47.7	17%	0.165	25%	0.246	C	C	.	.	H	α-helix	trans	-81.6	-29.6	-178.5	-64.6	-73.3	-174	169.3	0	113.4	L623 I624 L786 S788 D790 A791 S793	L623-K627 HydrophobicContact CD1-CG 4.34Å; L623-K627 WeakPolarHBondContact O-CB 3.28Å; L623-K627 WeakPolarHBondContact O-CG 3.28Å; L623-K627 PolarHBondContact O-N 3.49Å; I624-K627 PolarHBondContact O-N 3.27Å; K627-L786 WeakPolarHBondContact CE-O 3.47Å; K627-L786 PolarHBondContact NZ-O 2.9Å; K627-S788 PolarHBondContact NZ-O 3.17Å; K627-D790 WeakPolarHBondContact CE-O 3.39Å; K627-D790 PolarHBondContact NZ-O 3.1Å; K627-A791 WeakPolarHBondContact CA-O 3.41Å; K627-A791 WeakPolarHBondContact CD-O 3.26Å; K627-S793 PolarHBondContact NZ-OG 3.26Å
628	V	87.6	Confident	89.1	Confident	116 Å²	116	45.1 Å²	45.1	70%	0.703	24%	0.238	S	C	*	.	H	α-helix	trans	-92.1	-4.5	-176.8	-178.9	0	0	0	0	112.6	I624 S630	I624-V628 VanDerWaalsContact O-CB 3.25Å; I624-V628 WeakPolarHBondContact O-CB 3.25Å; I624-V628 WeakPolarHBondContact O-CG2 3.24Å; I624-V628 PolarHBondContact O-N 3.12Å; V628-S630 PolarHBondContact O-N 2.85Å
629	Q	85	Confident	88.7	Confident	23 Å²	23	46.5 Å²	46.5	11%	0.107	25%	0.249	C	C	.	.			trans	-64	132.5	-177.8	71.6	-170.4	-51.8	0	0	113.2	P328 F625 Y626 V631 I634	P328-Q629 HydrophobicContact CG-CG 4.08Å; F625-Q629 WeakPolarHBondContact O-CB 3.46Å; F625-Q629 PolarHBondContact O-N 3.27Å; Y626-Q629 VanDerWaalsContact CD2-NE2 3.32Å; Y626-Q629 WeakPolarHBondContact O-CG 3.29Å; Y626-Q629 PolarHBondContact O-NE2 3.49Å; Q629-V631 WeakPolarHBondContact CB-O 3.45Å; Q629-V631 PolarHBondContact OE1-O 3.37Å; Q629-I634 PolarHBondContact NE2-O 3.03Å; Q629-I634 VanDerWaalsContact OE1-N 3.16Å; Q629-I634 PolarHBondContact OE1-O 3.34Å
630	S	83.4	Confident	88.4	Confident	97 Å²	97	48.6 Å²	48.6	68%	0.678	26%	0.26	S	S	*	.	S	Bend	trans	-86.6	-29.5	173.6	55.3	0	0	0	0	112.6	S327 V628	S327-S630 WeakPolarHBondContact CB-O 3.43Å; V628-S630 PolarHBondContact O-N 2.85Å
631	V	85.3	Confident	88.2	Confident	42 Å²	42	52.6 Å²	52.6	26%	0.255	28%	0.278	S	S	.	.	S	Bend	trans	-124.9	145	178.4	178.1	0	0	0	0	107.6	I325 D511 Q629 L633	I325-V631 HydrophobicContact CG2-CG1 3.63Å; I325-V631 HydrophobicContact CG2-CG2 4.29Å; D511-V631 VanDerWaalsContact C-CG1 3.5Å; D511-V631 HydrophobicContact CB-CG1 3.92Å; Q629-V631 WeakPolarHBondContact CB-O 3.45Å; Q629-V631 PolarHBondContact OE1-O 3.37Å; V631-L633 PolarHBondContact O-N 2.96Å
632	Y	82.2	Confident	88	Confident	6 Å²	6	48.6 Å²	48.6	2%	0.024	26%	0.263	C	S	.	.	S	Bend	trans	-71.5	90	-177.5	-168.8	-105	0	0	0	112.2	Y326 F373 A374 G512 N635	Y326-Y632 WeakPolarHBondContact O-CB 3.5Å; Y326-Y632 PolarHBondContact O-N 3.14Å; F373-Y632 AromaticContact CE1-CD1 3.86Å; F373-Y632 HydrophobicContact CE1-CD1 3.86Å; F373-Y632 AromaticContact CE1-CD2 3.64Å; F373-Y632 HydrophobicContact CE1-CD2 3.64Å; F373-Y632 HydrophobicContact CE1-CE1 4.47Å; F373-Y632 HydrophobicContact CE1-CE2 4.27Å; F373-Y632 AromaticContact CE1-CG 3.4Å; F373-Y632 HydrophobicContact CE1-CG 3.4Å; F373-Y632 AromaticContact CZ-CD1 3.73Å; F373-Y632 HydrophobicContact CZ-CD1 3.73Å; F373-Y632 HydrophobicContact CZ-CD2 4.29Å; F373-Y632 HydrophobicContact CZ-CE1 4.18Å; F373-Y632 AromaticContact CZ-CG 3.79Å; F373-Y632 HydrophobicContact CZ-CG 3.79Å; A374-Y632 HydrophobicContact CB-CD2 3.92Å; A374-Y632 HydrophobicContact CB-CE2 3.82Å; G512-Y632 VanDerWaalsContact CA-O 3.23Å; G512-Y632 WeakPolarHBondContact CA-O 3.35Å; G512-Y632 PolarHBondContact N-O 3Å; Y632-N635 WeakPolarHBondContact CE1-OD1 3.26Å; Y632-N635 PolarHBondContact OH-OD1 3.48Å
633	L	82.6	Confident	88	Confident	72 Å²	72	48 Å²	48	38%	0.377	26%	0.261	S	S	.	.			trans	-114.5	-45.4	-175	178	57.2	0	0	0	111.6	D511 V631	D511-L633 HydrophobicContact CB-CD1 4.17Å; D511-L633 WeakPolarHBondContact OD1-CD1 3.39Å; V631-L633 PolarHBondContact O-N 2.96Å
634	I	85.3	Confident	88.2	Confident	26 Å²	26	48.7 Å²	48.7	13%	0.133	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-100.2	120.9	-174.9	-67.5	168.2	0	0	0	107.5	F622 F625 Y626 Q629	F622-I634 HydrophobicContact CD1-CG2 4.13Å; F622-I634 HydrophobicContact CE1-CG2 4.28Å; F625-I634 HydrophobicContact CB-CD1 3.37Å; F625-I634 HydrophobicContact CD1-CD1 4.42Å; F625-I634 HydrophobicContact CG-CD1 4.14Å; Y626-I634 WeakPolarHBondContact CD2-O 3.32Å; Y626-I634 WeakPolarHBondContact CE2-O 3.49Å; Q629-I634 PolarHBondContact NE2-O 3.03Å; Q629-I634 VanDerWaalsContact OE1-N 3.16Å; Q629-I634 PolarHBondContact OE1-O 3.34Å
635	N	85.3	Confident	88.3	Confident	14 Å²	14	48.6 Å²	48.6	8%	0.075	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-96.8	150.3	174.5	-60.6	-69	0	0	0	109.6	S505 F622 Y632	S505-N635 WeakPolarHBondContact CB-ND2 3.41Å; S505-N635 PolarHBondContact OG-ND2 2.71Å; F622-N635 WeakPolarHBondContact CE1-O 3.45Å; Y632-N635 WeakPolarHBondContact CE1-OD1 3.26Å; Y632-N635 PolarHBondContact OH-OD1 3.48Å
636	L	88.7	Confident	88.6	Confident	28 Å²	28	45.6 Å²	45.6	15%	0.147	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-63.2	145.8	159.4	-76.2	162.1	0	0	0	109.8	Y626 I809 F810	Y626-L636 HydrophobicContact CD2-CG 4.12Å; Y626-L636 HydrophobicContact CE1-CD1 4.15Å; Y626-L636 HydrophobicContact CE1-CG 4.49Å; Y626-L636 HydrophobicContact CE2-CD1 4.23Å; Y626-L636 HydrophobicContact CE2-CG 3.95Å; L636-I809 HydrophobicContact CD2-CD1 3.85Å; L636-F810 HydrophobicContact CD1-CE2 4.2Å; L636-F810 HydrophobicContact CD1-CZ 4.18Å; L636-F810 HydrophobicContact CD2-CE1 3.82Å; L636-F810 HydrophobicContact CD2-CE2 4.16Å; L636-F810 HydrophobicContact CD2-CZ 3.52Å; L636-F810 HydrophobicContact CG-CZ 4.1Å
637	P	89.1	Confident	88.9	Confident	16 Å²	16	45.6 Å²	45.6	10%	0.104	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-52.3	145.2	168.1	-25.8	35.1	0	0	0	111.4	F556 F622 S639 F642 I809	F556-P637 HydrophobicContact CD1-CB 4.44Å; F556-P637 HydrophobicContact CD1-CG 4.33Å; F556-P637 HydrophobicContact CE1-CB 4.14Å; F556-P637 HydrophobicContact CE1-CG 3.86Å; F556-P637 HydrophobicContact CZ-CG 4.04Å; F622-P637 HydrophobicContact CD2-CG 4.5Å; F622-P637 HydrophobicContact CE1-CG 4.25Å; F622-P637 HydrophobicContact CE2-CG 3.72Å; F622-P637 HydrophobicContact CZ-CG 3.58Å; P637-S639 WeakPolarHBondContact CB-O 3.47Å; P637-S639 PolarHBondContact O-N 3.42Å; P637-F642 HydrophobicContact CB-CE1 4.02Å; P637-F642 HydrophobicContact CG-CE1 4.12Å; P637-F642 HydrophobicContact CG-CZ 4.3Å; P637-I809 HydrophobicContact CG-CD1 4.03Å
638	N	87.7	Confident	89.4	Confident	71 Å²	71	45.5 Å²	45.5	38%	0.38	26%	0.256	S	S	.	.	S	Bend	trans	-67.3	-23.4	-177.6	-67.4	-11.9	0	0	0	112.5	S547 S548	S547-N638 WeakPolarHBondContact CA-OD1 3.29Å; S548-N638 PolarHBondContact N-OD1 3.43Å; S548-N638 PolarHBondContact O-ND2 3.38Å; S548-N638 PolarHBondContact O-OD1 3.49Å; S548-N638 PolarHBondContact OG-ND2 2.95Å; S548-N638 PolarHBondContact OG-OD1 3.49Å
639	S	87.3	Confident	89.9	Confident	56 Å²	56	43.7 Å²	43.7	39%	0.392	24%	0.241	S	C	.	.			trans	-136	145.9	171.1	66	0	0	0	0	110.1	P637 F642	P637-S639 WeakPolarHBondContact CB-O 3.47Å; P637-S639 PolarHBondContact O-N 3.42Å; S639-F642 WeakPolarHBondContact O-CD1 3.42Å; S639-F642 VanDerWaalsContact O-CE1 3.27Å; S639-F642 WeakPolarHBondContact O-CE1 3.42Å
640	D	89.2	Confident	90.5	Very high	44 Å²	44	42.6 Å²	42.6	24%	0.235	24%	0.237	C	C	.	.			trans	-108.7	8.1	177.7	59.1	-9.3	0	0	0	112.3	F642 I643 R808 I809	D640-F642 PolarHBondContact O-N 3.45Å; D640-I643 PolarHBondContact O-N 3.3Å; D640-R808 IonicContact OD1-CZ 3.72Å; D640-R808 IonicContact OD1-NE 2.67Å; D640-R808 IonicContact OD1-NH2 3.68Å; D640-R808 PolarHBondContact OD1-NH2 2.91Å; D640-R808 WeakPolarHBondContact OD2-CB 3.39Å; D640-R808 IonicContact OD2-CZ 3.34Å; D640-R808 IonicContact OD2-NE 3.42Å; D640-R808 PolarHBondContact OD2-NE 2.89Å; D640-R808 IonicContact OD2-NH2 2.84Å; D640-R808 PolarHBondContact OD2-NH2 3.12Å; D640-I809 HydrophobicContact CB-CD1 4.23Å; D640-I809 HydrophobicContact CB-CG1 4.19Å
641	E	90.7	Very high	91.2	Very high	121 Å²	121	39.8 Å²	39.8	57%	0.565	21%	0.212	S	C	*	.	H	α-helix	trans	-60.5	-33.2	-179.3	-171.1	179.5	177	0	0	112.7	I643 L644 I645	E641-I643 PolarHBondContact O-N 3.45Å; E641-L644 PolarHBondContact O-N 3.12Å; E641-L644 VanDerWaalsContact O-N 3.12Å; E641-I645 HydrophobicContact CG-CD1 4.01Å; E641-I645 HydrophobicContact CG-CG1 4.43Å; E641-I645 WeakPolarHBondContact O-CG1 3.38Å; E641-I645 PolarHBondContact O-N 3.48Å; E641-I645 VanDerWaalsContact O-N 3.12Å
642	F	91.5	Very high	91.8	Very high	21 Å²	21	40.2 Å²	40.2	9%	0.092	22%	0.22	C	C	.	.	H	α-helix	trans	-55.9	-36.2	177.8	70.7	-90.5	0	0	0	112.1	F556 L560 I615 P637 S639 D640 I645 Y646	F556-F642 AromaticContact CE1-CE1 3.97Å; F556-F642 HydrophobicContact CE1-CE1 3.97Å; F556-F642 HydrophobicContact CE1-CE2 4.45Å; F556-F642 AromaticContact CE1-CZ 3.93Å; F556-F642 HydrophobicContact CE1-CZ 3.93Å; F556-F642 HydrophobicContact CZ-CE1 4.29Å; F556-F642 HydrophobicContact CZ-CE2 4.15Å; F556-F642 AromaticContact CZ-CZ 3.78Å; F556-F642 HydrophobicContact CZ-CZ 3.78Å; L560-F642 HydrophobicContact CD2-CB 4.4Å; L560-F642 HydrophobicContact CD2-CD2 3.47Å; L560-F642 VanDerWaalsContact CD2-CD2 3.47Å; L560-F642 HydrophobicContact CD2-CE2 3.9Å; L560-F642 HydrophobicContact CD2-CG 4.03Å; I615-F642 HydrophobicContact CD1-CD2 4.32Å; I615-F642 HydrophobicContact CD1-CE2 4.37Å; P637-F642 HydrophobicContact CB-CE1 4.02Å; P637-F642 HydrophobicContact CG-CE1 4.12Å; P637-F642 HydrophobicContact CG-CZ 4.3Å; S639-F642 WeakPolarHBondContact O-CD1 3.42Å; S639-F642 VanDerWaalsContact O-CE1 3.27Å; S639-F642 WeakPolarHBondContact O-CE1 3.42Å; D640-F642 PolarHBondContact O-N 3.45Å; F642-I645 PolarHBondContact O-N 2.91Å; F642-Y646 HydrophobicContact CB-CD2 4.33Å; F642-Y646 HydrophobicContact CB-CE2 4.3Å; F642-Y646 HydrophobicContact CD2-CD2 4.38Å; F642-Y646 WeakPolarHBondContact O-CD2 3.36Å; F642-Y646 PolarHBondContact O-N 3.43Å
643	I	94.1	Very high	92.6	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-63.6	-46.9	179.3	-64.4	-169.3	0	0	0	110.5	I615 D640 E641 I645 Y646 I647 I809 I812 L1032	I615-I643 HydrophobicContact CG2-CG2 4.2Å; D640-I643 PolarHBondContact O-N 3.3Å; E641-I643 PolarHBondContact O-N 3.45Å; I643-I645 VanDerWaalsContact C-N 3.32Å; I643-I645 PolarHBondContact O-N 3.19Å; I643-Y646 PolarHBondContact O-N 2.97Å; I643-I647 HydrophobicContact CG2-CD1 4.22Å; I643-I647 HydrophobicContact CG2-CG1 4.34Å; I643-I647 WeakPolarHBondContact O-CB 3.47Å; I643-I647 WeakPolarHBondContact O-CG1 3.25Å; I643-I647 PolarHBondContact O-N 3.37Å; I643-I809 HydrophobicContact CD1-CB 3.97Å; I643-I809 HydrophobicContact CD1-CG1 3.4Å; I643-I809 HydrophobicContact CD1-CG2 4.21Å; I643-I812 HydrophobicContact CG2-CG1 4.33Å; I643-L1032 HydrophobicContact CG2-CD1 3.83Å; I643-L1032 HydrophobicContact CG2-CD2 4.14Å
644	L	95.4	Very high	93.3	Very high	39 Å²	39	38.3 Å²	38.3	20%	0.204	21%	0.211	C	C	.	.	H	α-helix	trans	-60	-45.5	178.8	176.8	61.7	0	0	0	110.8	E641 A648 L1029 L1032 L1033	E641-L644 PolarHBondContact O-N 3.12Å; E641-L644 VanDerWaalsContact O-N 3.12Å; L644-A648 WeakPolarHBondContact O-CB 3.19Å; L644-A648 PolarHBondContact O-N 2.86Å; L644-L1029 HydrophobicContact CD1-CD1 4.09Å; L644-L1032 HydrophobicContact CD1-CB 3.97Å; L644-L1033 HydrophobicContact CD1-CD2 3.8Å; L644-L1033 HydrophobicContact CD1-CG 4.19Å; L644-L1033 HydrophobicContact CD2-CD2 4.25Å
645	I	94.9	Very high	93.9	Very high	81 Å²	81	38.4 Å²	38.4	42%	0.415	21%	0.213	S	C	.	.	H	α-helix	trans	-61.3	-51.1	179.8	-64.8	169	0	0	0	110.9	E641 F642 I643 A648 I649	E641-I645 HydrophobicContact CG-CD1 4.01Å; E641-I645 HydrophobicContact CG-CG1 4.43Å; E641-I645 WeakPolarHBondContact O-CG1 3.38Å; E641-I645 PolarHBondContact O-N 3.48Å; E641-I645 VanDerWaalsContact O-N 3.12Å; F642-I645 PolarHBondContact O-N 2.91Å; I643-I645 VanDerWaalsContact C-N 3.32Å; I643-I645 PolarHBondContact O-N 3.19Å; I645-A648 PolarHBondContact O-N 3.37Å; I645-I649 HydrophobicContact CG2-CD1 3.92Å; I645-I649 WeakPolarHBondContact O-CG1 3.41Å; I645-I649 PolarHBondContact O-N 3.37Å
646	Y	96.4	Very high	94.5	Very high	44 Å²	44	41.3 Å²	41.3	17%	0.173	23%	0.228	C	C	.	.	H	α-helix	trans	-67.7	-40.4	-177.8	-75.5	-64.1	0	0	0	112.8	L560 M564 F611 I615 F642 I643 I649 A650	L560-Y646 HydrophobicContact CD2-CE2 3.99Å; L560-Y646 HydrophobicContact CG-CE2 4.44Å; M564-Y646 HydrophobicContact CE-CD1 3.78Å; M564-Y646 HydrophobicContact CE-CD2 3.8Å; M564-Y646 HydrophobicContact CE-CE1 4.06Å; M564-Y646 HydrophobicContact CE-CE2 4.09Å; M564-Y646 HydrophobicContact CE-CG 3.66Å; M564-Y646 HydrophobicContact CG-CE1 3.97Å; M564-Y646 HydrophobicContact SD-CD1 4.19Å; M564-Y646 HydrophobicContact SD-CE1 4.19Å; F611-Y646 AromaticContact CD2-CD1 3.97Å; F611-Y646 HydrophobicContact CD2-CD1 3.97Å; F611-Y646 AromaticContact CE2-CD1 3.9Å; F611-Y646 HydrophobicContact CE2-CD1 3.9Å; F611-Y646 HydrophobicContact CE2-CE1 4.4Å; F611-Y646 HydrophobicContact CG-CD1 4.37Å; F611-Y646 HydrophobicContact CZ-CD1 4.22Å; F611-Y646 HydrophobicContact CZ-CE1 4.32Å; I615-Y646 HydrophobicContact CD1-CD2 4.04Å; I615-Y646 HydrophobicContact CD1-CG 4.29Å; F642-Y646 HydrophobicContact CB-CD2 4.33Å; F642-Y646 HydrophobicContact CB-CE2 4.3Å; F642-Y646 HydrophobicContact CD2-CD2 4.38Å; F642-Y646 WeakPolarHBondContact O-CD2 3.36Å; F642-Y646 PolarHBondContact O-N 3.43Å; I643-Y646 PolarHBondContact O-N 2.97Å; Y646-I649 PolarHBondContact O-N 2.94Å; Y646-A650 VanDerWaalsContact O-CB 3.24Å; Y646-A650 WeakPolarHBondContact O-CB 3.16Å; Y646-A650 PolarHBondContact O-N 2.78Å
647	I	97.4	Very high	94.9	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-67.3	-39.6	175.8	-70.7	-157.6	0	0	0	111.2	I615 I643 I649 A650 F651 I812 L1025 C1028 L1029 L1032	I615-I647 HydrophobicContact CG2-CD1 4.15Å; I615-I647 HydrophobicContact CG2-CG1 4.25Å; I643-I647 HydrophobicContact CG2-CD1 4.22Å; I643-I647 HydrophobicContact CG2-CG1 4.34Å; I643-I647 WeakPolarHBondContact O-CB 3.47Å; I643-I647 WeakPolarHBondContact O-CG1 3.25Å; I643-I647 PolarHBondContact O-N 3.37Å; I647-I649 PolarHBondContact O-N 2.88Å; I647-A650 PolarHBondContact O-N 3.16Å; I647-F651 VanDerWaalsContact O-CB 3.3Å; I647-F651 WeakPolarHBondContact O-CB 3.23Å; I647-F651 PolarHBondContact O-N 2.6Å; I647-I812 HydrophobicContact CD1-CD1 4.2Å; I647-I812 HydrophobicContact CD1-CG2 4.21Å; I647-L1025 HydrophobicContact CG2-CD2 4.29Å; I647-C1028 HydrophobicContact CD1-CB 3.9Å; I647-C1028 HydrophobicContact CG2-CB 4.24Å; I647-L1029 HydrophobicContact CG2-CB 4.14Å; I647-L1032 HydrophobicContact CB-CD1 4.1Å; I647-L1032 HydrophobicContact CD1-CD1 3.97Å; I647-L1032 HydrophobicContact CG1-CD1 4.36Å; I647-L1032 HydrophobicContact CG2-CD1 4.17Å
648	A	97.9	Very high	95.3	Very high	37 Å²	37	39.7 Å²	39.7	31%	0.306	22%	0.218	S	C	.	.	H	α-helix	trans	-61.9	-44.2	176	0	0	0	0	0	111.9	L644 I645 F651 A652 L1029	L644-A648 WeakPolarHBondContact O-CB 3.19Å; L644-A648 PolarHBondContact O-N 2.86Å; I645-A648 PolarHBondContact O-N 3.37Å; A648-F651 PolarHBondContact O-N 3.39Å; A648-A652 WeakPolarHBondContact O-CB 3.39Å; A648-A652 PolarHBondContact O-N 2.89Å; A648-L1029 HydrophobicContact CB-CD1 4.02Å
649	I	97.8	Very high	95.7	Very high	77 Å²	77	41.1 Å²	41.1	40%	0.395	23%	0.225	S	C	.	.	H	α-helix	trans	-65.3	-45.9	175.2	-64.7	166.5	0	0	0	110.7	F611 I645 Y646 I647 F651 A652 L653	F611-I649 HydrophobicContact CD2-CB 4.42Å; F611-I649 HydrophobicContact CD2-CG2 4.16Å; F611-I649 HydrophobicContact CE2-CB 4.23Å; F611-I649 HydrophobicContact CE2-CG2 3.7Å; I645-I649 HydrophobicContact CG2-CD1 3.92Å; I645-I649 WeakPolarHBondContact O-CG1 3.41Å; I645-I649 PolarHBondContact O-N 3.37Å; Y646-I649 PolarHBondContact O-N 2.94Å; I647-I649 PolarHBondContact O-N 2.88Å; I649-F651 VanDerWaalsContact C-N 3.3Å; I649-F651 PolarHBondContact O-N 2.85Å; I649-A652 PolarHBondContact O-N 3.36Å; I649-L653 HydrophobicContact CG2-CD1 3.92Å; I649-L653 HydrophobicContact CG2-CG 4.27Å; I649-L653 WeakPolarHBondContact O-CB 3.25Å; I649-L653 WeakPolarHBondContact O-CG 3.27Å; I649-L653 PolarHBondContact O-N 2.84Å
650	A	98.3	Very high	96.1	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-59.3	-42.8	178.6	0	0	0	0	0	111.5	S608 F611 Y646 I647 K654 L1025	S608-A650 WeakPolarHBondContact CB-O 3.39Å; S608-A650 PolarHBondContact OG-O 3.08Å; F611-A650 HydrophobicContact CB-CB 3.9Å; F611-A650 HydrophobicContact CD2-CB 4.42Å; Y646-A650 VanDerWaalsContact O-CB 3.24Å; Y646-A650 WeakPolarHBondContact O-CB 3.16Å; Y646-A650 PolarHBondContact O-N 2.78Å; I647-A650 PolarHBondContact O-N 3.16Å; A650-K654 WeakPolarHBondContact O-CB 3.46Å; A650-K654 PolarHBondContact O-N 3.42Å; A650-L1025 HydrophobicContact CB-CD1 4.33Å; A650-L1025 HydrophobicContact CB-CD2 3.82Å
651	F	98.3	Very high	96.4	Very high	38 Å²	38	38 Å²	38	17%	0.167	20%	0.203	C	C	.	.	H	α-helix	trans	-63.1	-48.7	175	174.4	-105.5	0	0	0	111.8	I647 A648 I649 L653 K654 C655 F1022 L1025 L1026 L1029	I647-F651 VanDerWaalsContact O-CB 3.3Å; I647-F651 WeakPolarHBondContact O-CB 3.23Å; I647-F651 PolarHBondContact O-N 2.6Å; A648-F651 PolarHBondContact O-N 3.39Å; I649-F651 VanDerWaalsContact C-N 3.3Å; I649-F651 PolarHBondContact O-N 2.85Å; F651-L653 VanDerWaalsContact C-N 3.3Å; F651-L653 PolarHBondContact O-N 2.87Å; F651-K654 CarbonylContact O-C 3.55Å; F651-K654 WeakPolarHBondContact O-CA 3.37Å; F651-K654 WeakPolarHBondContact O-CB 3.49Å; F651-K654 PolarHBondContact O-N 2.9Å; F651-C655 VanDerWaalsContact CE1-SG 3.57Å; F651-C655 WeakPolarHBondContact CZ-SG 3.33Å; F651-C655 PolarHBondContact O-N 2.99Å; F651-C655 PolarHBondContact O-SG 3.33Å; F651-C655 VanDerWaalsContact O-SG 3.32Å; F651-F1022 HydrophobicContact CE2-CD2 4.35Å; F651-F1022 AromaticContact CE2-CE2 3.74Å; F651-F1022 HydrophobicContact CE2-CE2 3.74Å; F651-F1022 HydrophobicContact CE2-CZ 4.14Å; F651-F1022 HydrophobicContact CZ-CE2 4.38Å; F651-L1025 HydrophobicContact CB-CB 4.41Å; F651-L1025 HydrophobicContact CD2-CB 4.25Å; F651-L1026 HydrophobicContact CD2-CB 4.25Å; F651-L1026 HydrophobicContact CE2-CB 3.77Å; F651-L1026 HydrophobicContact CE2-CD1 3.75Å; F651-L1026 HydrophobicContact CE2-CG 4.26Å; F651-L1026 HydrophobicContact CZ-CD1 3.75Å; F651-L1029 HydrophobicContact CB-CD2 4.04Å; F651-L1029 HydrophobicContact CD1-CD2 3.32Å; F651-L1029 HydrophobicContact CE1-CD2 3.87Å; F651-L1029 HydrophobicContact CG-CD2 3.72Å
652	A	98.2	Very high	96.6	Very high	51 Å²	51	32.9 Å²	32.9	42%	0.421	18%	0.18	S	C	.	.	H	α-helix	trans	-57.7	-43.3	178.5	0	0	0	0	0	112.1	A648 I649 C655 I656	A648-A652 WeakPolarHBondContact O-CB 3.39Å; A648-A652 PolarHBondContact O-N 2.89Å; I649-A652 PolarHBondContact O-N 3.36Å; A652-C655 WeakPolarHBondContact O-CB 3.33Å; A652-C655 PolarHBondContact O-N 3.48Å; A652-I656 WeakPolarHBondContact O-CG1 3.2Å; A652-I656 PolarHBondContact O-N 2.89Å
653	L	98.4	Very high	96.7	Very high	38 Å²	38	34.3 Å²	34.3	20%	0.199	20%	0.195	C	C	.	.	H	α-helix	trans	-66.7	-35.5	174.8	-67.5	176.6	0	0	0	112.4	A604 I607 I649 F651 I656 D657	A604-L653 HydrophobicContact CB-CB 4.36Å; A604-L653 HydrophobicContact CB-CD2 3.84Å; A604-L653 WeakPolarHBondContact O-CB 3.32Å; I607-L653 HydrophobicContact CB-CD1 4.25Å; I607-L653 HydrophobicContact CG2-CD1 3.82Å; I649-L653 HydrophobicContact CG2-CD1 3.92Å; I649-L653 HydrophobicContact CG2-CG 4.27Å; I649-L653 WeakPolarHBondContact O-CB 3.25Å; I649-L653 WeakPolarHBondContact O-CG 3.27Å; I649-L653 PolarHBondContact O-N 2.84Å; F651-L653 VanDerWaalsContact C-N 3.3Å; F651-L653 PolarHBondContact O-N 2.87Å; L653-I656 PolarHBondContact O-N 3.45Å; L653-D657 PolarHBondContact O-N 2.9Å; L653-D657 VanDerWaalsContact O-N 3.08Å
654	K	98.1	Very high	96.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-69.5	-34.9	175.9	-168.5	57.3	57.6	179.8	0	112.4	G605 S608 N609 A650 F651 I656 D657 L658 L1018 F1022 L1025	G605-K654 PolarHBondContact O-NZ 3.35Å; S608-K654 WeakPolarHBondContact OG-CB 3.37Å; S608-K654 VanDerWaalsContact OG-CE 3.24Å; S608-K654 WeakPolarHBondContact OG-CE 3.4Å; N609-K654 WeakPolarHBondContact OD1-CE 3.3Å; N609-K654 PolarHBondContact OD1-NZ 3Å; A650-K654 WeakPolarHBondContact O-CB 3.46Å; A650-K654 PolarHBondContact O-N 3.42Å; F651-K654 CarbonylContact O-C 3.55Å; F651-K654 WeakPolarHBondContact O-CA 3.37Å; F651-K654 WeakPolarHBondContact O-CB 3.49Å; F651-K654 PolarHBondContact O-N 2.9Å; K654-I656 VanDerWaalsContact C-N 3.31Å; K654-I656 PolarHBondContact O-N 3.45Å; K654-D657 HydrophobicContact CD-CB 4.39Å; K654-D657 IonicContact NZ-OD2 3.66Å; K654-D657 PolarHBondContact NZ-OD2 3.46Å; K654-D657 WeakPolarHBondContact O-CB 3.42Å; K654-D657 PolarHBondContact O-N 3.46Å; K654-L658 WeakPolarHBondContact O-CB 3.19Å; K654-L658 PolarHBondContact O-N 3.4Å; K654-L1018 HydrophobicContact CD-CG 4.46Å; K654-F1022 HydrophobicContact CD-CB 4.44Å; K654-F1022 HydrophobicContact CG-CB 3.82Å; K654-F1022 HydrophobicContact CG-CD2 3.99Å; K654-F1022 HydrophobicContact CG-CG 4.42Å; K654-L1025 HydrophobicContact CB-CD1 3.81Å; K654-L1025 HydrophobicContact CG-CD1 3.99Å
655	C	97.4	Very high	96.6	Very high	27 Å²	27	34.9 Å²	34.9	18%	0.182	20%	0.2	C	C	.	.	H	α-helix	trans	-59.9	-43.3	171.7	-69.1	0	0	0	0	111.1	F651 A652 D657 L658 I659	F651-C655 VanDerWaalsContact CE1-SG 3.57Å; F651-C655 WeakPolarHBondContact CZ-SG 3.33Å; F651-C655 PolarHBondContact O-N 2.99Å; F651-C655 PolarHBondContact O-SG 3.33Å; F651-C655 VanDerWaalsContact O-SG 3.32Å; A652-C655 WeakPolarHBondContact O-CB 3.33Å; A652-C655 PolarHBondContact O-N 3.48Å; C655-D657 VanDerWaalsContact C-N 3.34Å; C655-L658 PolarHBondContact O-N 2.89Å; C655-I659 WeakPolarHBondContact O-CB 3.37Å; C655-I659 VanDerWaalsContact O-CG1 3.25Å; C655-I659 WeakPolarHBondContact O-CG1 3.17Å; C655-I659 PolarHBondContact O-N 3.35Å
656	I	97.7	Very high	96.4	Very high	75 Å²	75	31.7 Å²	31.7	39%	0.385	18%	0.184	S	C	.	.	H	α-helix	trans	-61.9	-44.1	176.2	-65.8	168.1	0	0	0	110.6	L601 A604 A652 L653 K654 I659 H660	L601-I656 HydrophobicContact CD2-CG2 3.43Å; L601-I656 VanDerWaalsContact CD2-CG2 3.43Å; A604-I656 HydrophobicContact CB-CG2 4.42Å; A652-I656 WeakPolarHBondContact O-CG1 3.2Å; A652-I656 PolarHBondContact O-N 2.89Å; L653-I656 PolarHBondContact O-N 3.45Å; K654-I656 VanDerWaalsContact C-N 3.31Å; K654-I656 PolarHBondContact O-N 3.45Å; I656-I659 PolarHBondContact O-N 3.42Å; I656-H660 VanDerWaalsContact O-CB 3.3Å; I656-H660 WeakPolarHBondContact O-CB 3.41Å; I656-H660 PolarHBondContact O-N 3.38Å
657	D	97.5	Very high	96.2	Very high	9 Å²	9	33.9 Å²	33.9	5%	0.048	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-44	176.5	-166.6	26.7	0	0	0	111.8	G605 L653 K654 C655 H660 L661 L1018	G605-D657 WeakPolarHBondContact CA-OD2 3.47Å; L653-D657 PolarHBondContact O-N 2.9Å; L653-D657 VanDerWaalsContact O-N 3.08Å; K654-D657 HydrophobicContact CD-CB 4.39Å; K654-D657 IonicContact NZ-OD2 3.66Å; K654-D657 PolarHBondContact NZ-OD2 3.46Å; K654-D657 WeakPolarHBondContact O-CB 3.42Å; K654-D657 PolarHBondContact O-N 3.46Å; C655-D657 VanDerWaalsContact C-N 3.34Å; D657-H660 WeakPolarHBondContact O-CB 3.14Å; D657-H660 PolarHBondContact O-N 3.09Å; D657-L661 PolarHBondContact O-N 2.95Å; D657-L1018 HydrophobicContact CB-CD1 4.46Å; D657-L1018 WeakPolarHBondContact OD2-CD1 3.45Å
658	L	96.8	Very high	95.9	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-66.8	-44	176.9	178.9	58.5	0	0	0	112.7	K654 C655 H660 L661 I662 L1018 L1019 F1022 F1051	K654-L658 WeakPolarHBondContact O-CB 3.19Å; K654-L658 PolarHBondContact O-N 3.4Å; C655-L658 PolarHBondContact O-N 2.89Å; L658-H660 VanDerWaalsContact C-N 3.27Å; L658-H660 PolarHBondContact O-N 3.46Å; L658-L661 HydrophobicContact CD1-CD2 4.43Å; L658-L661 WeakPolarHBondContact O-CB 3.43Å; L658-L661 PolarHBondContact O-N 3.45Å; L658-I662 HydrophobicContact CD1-CD1 4.13Å; L658-I662 HydrophobicContact CD1-CG1 4.33Å; L658-I662 HydrophobicContact CG-CD1 4.15Å; L658-I662 WeakPolarHBondContact O-CG1 3.41Å; L658-I662 PolarHBondContact O-N 2.87Å; L658-L1018 HydrophobicContact CB-CD2 4.06Å; L658-L1018 HydrophobicContact CD1-CD2 3.68Å; L658-L1018 HydrophobicContact CG-CD2 4.45Å; L658-L1019 HydrophobicContact CD1-CD2 3.67Å; L658-F1022 HydrophobicContact CB-CD2 4.47Å; L658-F1022 HydrophobicContact CD2-CD1 3.94Å; L658-F1022 HydrophobicContact CD2-CD2 3.77Å; L658-F1022 HydrophobicContact CD2-CE1 3.98Å; L658-F1022 HydrophobicContact CD2-CE2 3.79Å; L658-F1022 HydrophobicContact CD2-CG 3.85Å; L658-F1022 HydrophobicContact CD2-CZ 3.91Å; L658-F1051 HydrophobicContact CD2-CD1 3.96Å; L658-F1051 HydrophobicContact CD2-CD2 3.79Å; L658-F1051 HydrophobicContact CD2-CE1 4Å; L658-F1051 HydrophobicContact CD2-CE2 3.85Å; L658-F1051 HydrophobicContact CD2-CG 3.85Å; L658-F1051 HydrophobicContact CD2-CZ 3.95Å; L658-F1051 HydrophobicContact CG-CD1 4.33Å; L658-F1051 HydrophobicContact CG-CE1 4.31Å
659	I	96.4	Very high	95.7	Very high	100 Å²	100	33.5 Å²	33.5	51%	0.513	20%	0.195	S	C	.	.	H	α-helix	trans	-62	-40.9	175.8	-69.4	165.8	0	0	0	110.1	C655 I656 I662 A663 F1051	C655-I659 WeakPolarHBondContact O-CB 3.37Å; C655-I659 VanDerWaalsContact O-CG1 3.25Å; C655-I659 WeakPolarHBondContact O-CG1 3.17Å; C655-I659 PolarHBondContact O-N 3.35Å; I656-I659 PolarHBondContact O-N 3.42Å; I659-I662 PolarHBondContact O-N 3.43Å; I659-A663 VanDerWaalsContact O-CB 3.3Å; I659-A663 WeakPolarHBondContact O-CB 3.37Å; I659-A663 PolarHBondContact O-N 3.28Å; I659-F1051 HydrophobicContact CG1-CE1 4.42Å
660	H	96.3	Very high	95.5	Very high	20 Å²	20	30 Å²	30	9%	0.093	18%	0.177	C	C	.	.	H	α-helix	trans	-61.9	-44.2	174.9	172.3	-122.4	0	0	0	112.2	K598 L601 F602 I656 D657 L658 A663 V664	K598-H660 WeakPolarHBondContact CD-NE2 3.47Å; K598-H660 PolarHBondContact NZ-NE2 3.46Å; L601-H660 HydrophobicContact CD1-CB 4.49Å; L601-H660 VanDerWaalsContact CD1-CD2 3.41Å; L601-H660 WeakPolarHBondContact CD1-CD2 3.43Å; F602-H660 AromaticContact CD1-CE1 3.96Å; F602-H660 AromaticContact CE1-CE1 3.56Å; I656-H660 VanDerWaalsContact O-CB 3.3Å; I656-H660 WeakPolarHBondContact O-CB 3.41Å; I656-H660 PolarHBondContact O-N 3.38Å; D657-H660 WeakPolarHBondContact O-CB 3.14Å; D657-H660 PolarHBondContact O-N 3.09Å; L658-H660 VanDerWaalsContact C-N 3.27Å; L658-H660 PolarHBondContact O-N 3.46Å; H660-A663 PolarHBondContact O-N 3.06Å; H660-V664 WeakPolarHBondContact O-CG2 3.44Å; H660-V664 PolarHBondContact O-N 3.39Å
661	L	95	Very high	95.4	Very high	16 Å²	16	30.1 Å²	30.1	8%	0.084	18%	0.177	C	C	.	.	H	α-helix	trans	-56.9	-52.4	174.8	176.7	67.7	0	0	0	111.1	D657 L658 A663 V664 Q665 N1015 L1018	D657-L661 PolarHBondContact O-N 2.95Å; L658-L661 HydrophobicContact CD1-CD2 4.43Å; L658-L661 WeakPolarHBondContact O-CB 3.43Å; L658-L661 PolarHBondContact O-N 3.45Å; L661-A663 VanDerWaalsContact C-N 3.32Å; L661-A663 PolarHBondContact O-N 3.07Å; L661-V664 PolarHBondContact O-N 3.4Å; L661-Q665 HydrophobicContact CD1-CG 4.09Å; L661-Q665 HydrophobicContact CG-CG 4.44Å; L661-Q665 WeakPolarHBondContact O-CG 3.38Å; L661-Q665 PolarHBondContact O-N 3.48Å; L661-N1015 HydrophobicContact CD1-CB 4.2Å; L661-N1015 WeakPolarHBondContact CD1-OD1 3.26Å; L661-N1015 HydrophobicContact CD2-CB 3.65Å; L661-L1018 HydrophobicContact CB-CD1 4.24Å; L661-L1018 HydrophobicContact CD2-CD1 4.13Å; L661-L1018 HydrophobicContact CD2-CD2 3.98Å
662	I	95.1	Very high	95.3	Very high	13 Å²	13	28.3 Å²	28.3	7%	0.067	17%	0.17	C	C	.	.	H	α-helix	trans	-60.9	-43.5	-179.8	-66.3	169.9	0	0	0	110.3	L658 I659 V664 Q665 C666 F1051 L1058	L658-I662 HydrophobicContact CD1-CD1 4.13Å; L658-I662 HydrophobicContact CD1-CG1 4.33Å; L658-I662 HydrophobicContact CG-CD1 4.15Å; L658-I662 WeakPolarHBondContact O-CG1 3.41Å; L658-I662 PolarHBondContact O-N 2.87Å; I659-I662 PolarHBondContact O-N 3.43Å; I662-V664 VanDerWaalsContact C-N 3.33Å; I662-V664 PolarHBondContact O-N 3.48Å; I662-Q665 PolarHBondContact O-N 3.02Å; I662-C666 VanDerWaalsContact O-CB 3.26Å; I662-C666 WeakPolarHBondContact O-CB 3.44Å; I662-C666 PolarHBondContact O-N 2.91Å; I662-C666 PolarHBondContact O-SG 3.01Å; I662-F1051 HydrophobicContact CD1-CD1 3.51Å; I662-F1051 HydrophobicContact CD1-CE1 4.15Å; I662-F1051 HydrophobicContact CD1-CG 4.42Å; I662-L1058 HydrophobicContact CG2-CD1 4.34Å
663	A	94.4	Very high	95.1	Very high	50 Å²	50	25.9 Å²	25.9	41%	0.413	15%	0.149	S	C	.	.	H	α-helix	trans	-60.9	-41.1	177.5	0	0	0	0	0	112.1	I659 H660 L661 T667	I659-A663 VanDerWaalsContact O-CB 3.3Å; I659-A663 WeakPolarHBondContact O-CB 3.37Å; I659-A663 PolarHBondContact O-N 3.28Å; H660-A663 PolarHBondContact O-N 3.06Å; L661-A663 VanDerWaalsContact C-N 3.32Å; L661-A663 PolarHBondContact O-N 3.07Å; A663-T667 WeakPolarHBondContact O-CB 3.33Å; A663-T667 WeakPolarHBondContact O-CG2 3.15Å; A663-T667 PolarHBondContact O-N 3.44Å; A663-T667 PolarHBondContact O-OG1 2.99Å
664	V	93.1	Very high	94.8	Very high	45 Å²	45	24.6 Å²	24.6	27%	0.273	14%	0.143	S	C	.	.	H	α-helix	trans	-68	-47.9	177.1	171.2	0	0	0	0	111.1	K598 H660 L661 I662 C666 T667 M668	K598-V664 VanDerWaalsContact NZ-CG2 3.33Å; H660-V664 WeakPolarHBondContact O-CG2 3.44Å; H660-V664 PolarHBondContact O-N 3.39Å; L661-V664 PolarHBondContact O-N 3.4Å; I662-V664 VanDerWaalsContact C-N 3.33Å; I662-V664 PolarHBondContact O-N 3.48Å; V664-C666 VanDerWaalsContact C-N 3.35Å; V664-C666 PolarHBondContact O-N 3.27Å; V664-T667 PolarHBondContact O-N 3.43Å; V664-T667 PolarHBondContact O-OG1 3.49Å; V664-M668 PolarHBondContact O-N 3.33Å
665	Q	92.7	Very high	94.6	Very high	8 Å²	8	26 Å²	26	4%	0.037	15%	0.148	C	C	.	.	H	α-helix	trans	-66.1	-35.3	-179.1	-70.1	-174.2	-14.5	0	0	112.6	L661 I662 T667 M668 T1010 L1011 N1015	L661-Q665 HydrophobicContact CD1-CG 4.09Å; L661-Q665 HydrophobicContact CG-CG 4.44Å; L661-Q665 WeakPolarHBondContact O-CG 3.38Å; L661-Q665 PolarHBondContact O-N 3.48Å; I662-Q665 PolarHBondContact O-N 3.02Å; Q665-T667 VanDerWaalsContact C-N 3.28Å; Q665-T667 PolarHBondContact O-N 2.9Å; Q665-M668 VanDerWaalsContact O-CG 3.23Å; Q665-M668 WeakPolarHBondContact O-CG 3.34Å; Q665-T1010 VanDerWaalsContact CD-O 3.26Å; Q665-T1010 WeakPolarHBondContact CG-O 3.35Å; Q665-T1010 PolarHBondContact NE2-O 3.23Å; Q665-L1011 VanDerWaalsContact NE2-C 3.31Å; Q665-L1011 PolarHBondContact NE2-O 2.61Å; Q665-N1015 PolarHBondContact NE2-ND2 2.78Å; Q665-N1015 VanDerWaalsContact NE2-ND2 3.12Å
666	C	92.2	Very high	94.3	Very high	13 Å²	13	25.1 Å²	25.1	9%	0.088	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	3.3	178.8	-61.2	0	0	0	0	113.8	I662 V664 L1058 N1062	I662-C666 VanDerWaalsContact O-CB 3.26Å; I662-C666 WeakPolarHBondContact O-CB 3.44Å; I662-C666 PolarHBondContact O-N 2.91Å; I662-C666 PolarHBondContact O-SG 3.01Å; V664-C666 VanDerWaalsContact C-N 3.35Å; V664-C666 PolarHBondContact O-N 3.27Å; C666-L1058 HydrophobicContact CB-CB 3.97Å; C666-L1058 VanDerWaalsContact SG-CB 3.58Å; C666-N1062 WeakPolarHBondContact O-CB 3.32Å; C666-N1062 PolarHBondContact O-OD1 2.99Å
667	T	91.7	Very high	93.7	Very high	90 Å²	90	23.7 Å²	23.7	55%	0.552	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.7	-2	176.9	56.4	0	0	0	0	114.3	A663 V664 Q665	A663-T667 WeakPolarHBondContact O-CB 3.33Å; A663-T667 WeakPolarHBondContact O-CG2 3.15Å; A663-T667 PolarHBondContact O-N 3.44Å; A663-T667 PolarHBondContact O-OG1 2.99Å; V664-T667 PolarHBondContact O-N 3.43Å; V664-T667 PolarHBondContact O-OG1 3.49Å; Q665-T667 VanDerWaalsContact C-N 3.28Å; Q665-T667 PolarHBondContact O-N 2.9Å
668	M	91.8	Very high	93	Very high	13 Å²	13	26.6 Å²	26.6	6%	0.064	16%	0.156	C	C	.	.			trans	-61.3	152.8	174	68.7	-172	-87.2	0	0	111.9	V664 Q665 W756 L858 T1010 N1062	V664-M668 PolarHBondContact O-N 3.33Å; Q665-M668 VanDerWaalsContact O-CG 3.23Å; Q665-M668 WeakPolarHBondContact O-CG 3.34Å; M668-W756 HydrophobicContact CE-CH2 4.38Å; M668-W756 HydrophobicContact CE-CZ2 3.91Å; M668-L858 HydrophobicContact CE-CB 4.28Å; M668-L858 HydrophobicContact CE-CD1 4.3Å; M668-L858 HydrophobicContact CE-CD2 3.74Å; M668-L858 HydrophobicContact CE-CG 4.33Å; M668-T1010 HydrophobicContact CE-CG2 3.87Å; M668-T1010 HydrophobicContact SD-CG2 4.24Å; M668-N1062 PolarHBondContact O-ND2 2.89Å
669	D	93	Very high	92	Very high	18 Å²	18	31.3 Å²	31.3	10%	0.096	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	123.4	173.9	-49.9	-65.6	0	0	0	110.1	F859 R919 K1066	D669-F859 HydrophobicContact CB-CB 4.09Å; D669-F859 HydrophobicContact CB-CD2 4.19Å; D669-F859 PolarHBondContact N-O 3.41Å; D669-F859 PolarHBondContact O-N 3.43Å; D669-R919 IonicContact OD2-CZ 2.63Å; D669-R919 IonicContact OD2-NH1 2.91Å; D669-R919 PolarHBondContact OD2-NH1 2.85Å; D669-R919 IonicContact OD2-NH2 3.33Å; D669-R919 PolarHBondContact OD2-NH2 2.63Å; D669-K1066 HydrophobicContact CB-CD 4.37Å; D669-K1066 VanDerWaalsContact OD1-CD 3.22Å; D669-K1066 WeakPolarHBondContact OD1-CD 3.27Å; D669-K1066 WeakPolarHBondContact OD1-CE 3.3Å; D669-K1066 IonicContact OD1-NZ 2.84Å; D669-K1066 PolarHBondContact OD1-NZ 3.26Å
670	I	94	Very high	90.5	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.3	172.6	173.9	165.6	0	0	0	108.6	L672 W756 V856 L858 K1066 T1067	I670-L672 HydrophobicContact CG1-CD2 4.49Å; I670-W756 HydrophobicContact CD1-CD2 3.64Å; I670-W756 VanDerWaalsContact CD1-CE2 3.48Å; I670-W756 HydrophobicContact CD1-CE3 4.27Å; I670-W756 HydrophobicContact CD1-CG 3.82Å; I670-W756 HydrophobicContact CD1-CZ2 3.99Å; I670-V856 HydrophobicContact CD1-CG1 3.9Å; I670-V856 HydrophobicContact CG1-CG1 4.03Å; I670-L858 HydrophobicContact CB-CD2 3.59Å; I670-L858 HydrophobicContact CD1-CD2 3.59Å; I670-L858 HydrophobicContact CG1-CD2 3.45Å; I670-L858 VanDerWaalsContact CG1-CD2 3.45Å; I670-K1066 HydrophobicContact CG2-CB 3.91Å; I670-K1066 CarbonylContact O-C 3.48Å; I670-K1066 WeakPolarHBondContact O-CB 3.3Å; I670-T1067 HydrophobicContact CG1-CG2 4.08Å; I670-T1067 HydrophobicContact CG2-CG2 3.95Å; I670-T1067 PolarHBondContact O-N 3.37Å
671	F	95.4	Very high	88.3	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.009	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	137.2	173.6	-169	-92	0	0	0	110.5	I673 F857 Y953 I956 N957 L960	F671-I673 HydrophobicContact CD1-CG1 3.96Å; F671-I673 HydrophobicContact CE1-CG1 4.27Å; F671-F857 PolarHBondContact N-O 3.35Å; F671-F857 PolarHBondContact O-N 2.94Å; F671-Y953 HydrophobicContact CE1-CE2 4.44Å; F671-Y953 AromaticContact CE2-CD2 3.87Å; F671-Y953 HydrophobicContact CE2-CD2 3.87Å; F671-Y953 HydrophobicContact CE2-CE2 4.17Å; F671-Y953 AromaticContact CZ-CD2 3.71Å; F671-Y953 HydrophobicContact CZ-CD2 3.71Å; F671-Y953 AromaticContact CZ-CE2 3.72Å; F671-Y953 HydrophobicContact CZ-CE2 3.72Å; F671-I956 HydrophobicContact CD1-CG2 4.01Å; F671-I956 HydrophobicContact CD2-CG2 3.8Å; F671-I956 HydrophobicContact CE1-CB 4.45Å; F671-I956 HydrophobicContact CE1-CG2 3.74Å; F671-I956 HydrophobicContact CE2-CB 3.91Å; F671-I956 HydrophobicContact CE2-CD1 4.47Å; F671-I956 HydrophobicContact CE2-CG2 3.51Å; F671-I956 HydrophobicContact CG-CG2 4.04Å; F671-I956 HydrophobicContact CZ-CB 3.8Å; F671-I956 HydrophobicContact CZ-CG2 3.47Å; F671-I956 VanDerWaalsContact CZ-CG2 3.47Å; F671-N957 HydrophobicContact CE1-CB 4.18Å; F671-N957 HydrophobicContact CZ-CB 4.18Å; F671-L960 HydrophobicContact CB-CD1 4.36Å; F671-L960 HydrophobicContact CD1-CD1 3.44Å; F671-L960 VanDerWaalsContact CD1-CD1 3.44Å; F671-L960 HydrophobicContact CE1-CD1 4Å; F671-L960 HydrophobicContact CG-CD1 4.06Å
672	L	95.9	Very high	85.8	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.6	179.2	-58.6	179.9	0	0	0	108.8	I670 I749 V752 A753 V854 S855 V856 T1067	I670-L672 HydrophobicContact CG1-CD2 4.49Å; L672-I749 HydrophobicContact CB-CG2 4.11Å; L672-I749 HydrophobicContact CD1-CG2 3.57Å; L672-I749 HydrophobicContact CG-CG2 4.46Å; L672-V752 HydrophobicContact CD1-CG1 4.42Å; L672-V752 HydrophobicContact CD2-CG1 4.01Å; L672-A753 HydrophobicContact CD1-CB 3.95Å; L672-V854 HydrophobicContact CB-CG1 3.94Å; L672-V854 HydrophobicContact CD2-CG1 4.45Å; L672-S855 CarbonylContact C-O 3.58Å; L672-S855 WeakPolarHBondContact CA-O 3.29Å; L672-V856 HydrophobicContact CD2-CB 4.3Å; L672-V856 HydrophobicContact CD2-CG1 4.08Å; L672-V856 HydrophobicContact CD2-CG2 3.8Å; L672-T1067 HydrophobicContact CD1-CG2 3.99Å; L672-T1067 HydrophobicContact CG-CG2 3.88Å
673	I	94.3	Very high	83.2	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	106.4	179.8	-55.1	171.7	0	0	0	107.6	F671 W675 V854 S855 F857 Y867 N957 L960 K961	F671-I673 HydrophobicContact CD1-CG1 3.96Å; F671-I673 HydrophobicContact CE1-CG1 4.27Å; I673-W675 HydrophobicContact CG2-CD2 4.39Å; I673-W675 HydrophobicContact CG2-CZ2 4.14Å; I673-V854 CarbonylContact O-C 3.18Å; I673-V854 WeakPolarHBondContact O-CA 3.46Å; I673-S855 PolarHBondContact N-O 3.01Å; I673-S855 PolarHBondContact O-N 3.06Å; I673-F857 HydrophobicContact CD1-CB 4.03Å; I673-F857 HydrophobicContact CD1-CD2 4.15Å; I673-F857 HydrophobicContact CG1-CB 4.44Å; I673-Y867 HydrophobicContact CD1-CE2 4.12Å; I673-N957 WeakPolarHBondContact CA-OD1 3.33Å; I673-N957 VanDerWaalsContact CG2-OD1 3.23Å; I673-N957 WeakPolarHBondContact CG2-OD1 3.49Å; I673-L960 HydrophobicContact CD1-CB 3.61Å; I673-L960 HydrophobicContact CD1-CD1 4.08Å; I673-L960 HydrophobicContact CD1-CG 4.45Å; I673-L960 HydrophobicContact CG1-CB 4.02Å; I673-L960 HydrophobicContact CG1-CD1 4.03Å; I673-K961 HydrophobicContact CG2-CG 3.68Å
674	D	93.1	Very high	80.6	Confident	10 Å²	10	60.4 Å²	60.4	5%	0.053	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	114.3	176.8	179.3	8	0	0	0	110.6	E676 I744 R748 I749 N957 K961	D674-E676 WeakPolarHBondContact OD1-CB 3.38Å; D674-E676 PolarHBondContact OD1-N 3.02Å; D674-I744 VanDerWaalsContact OD2-CG2 3.26Å; D674-I744 WeakPolarHBondContact OD2-CG2 3.41Å; D674-R748 VanDerWaalsContact CG-NH2 3.28Å; D674-R748 IonicContact OD1-CZ 3.84Å; D674-R748 IonicContact OD1-NH1 3.29Å; D674-R748 PolarHBondContact OD1-NH1 3.4Å; D674-R748 IonicContact OD1-NH2 3.67Å; D674-R748 PolarHBondContact OD1-NH2 2.92Å; D674-R748 IonicContact OD2-CZ 3.24Å; D674-R748 IonicContact OD2-NH2 3.84Å; D674-R748 PolarHBondContact OD2-NH2 3.35Å; D674-I749 HydrophobicContact CB-CD1 3.95Å; D674-I749 HydrophobicContact CB-CG1 4.2Å; D674-N957 PolarHBondContact N-OD1 2.93Å; D674-N957 PolarHBondContact O-ND2 3.05Å; D674-K961 WeakPolarHBondContact O-CE 3.18Å; D674-K961 PolarHBondContact O-NZ 3.15Å
675	W	92.7	Very high	77.9	Confident	31 Å²	31	65 Å²	65	12%	0.117	32%	0.324	C	S	.	.			trans	-84.2	-5.3	-177.5	-69.4	96.3	0	0	0	114.9	I673 N853 S855 H871 K961 I964	I673-W675 HydrophobicContact CG2-CD2 4.39Å; I673-W675 HydrophobicContact CG2-CZ2 4.14Å; W675-N853 WeakPolarHBondContact CB-O 3.23Å; W675-N853 WeakPolarHBondContact CB-OD1 3.48Å; W675-N853 PolarHBondContact N-O 2.69Å; W675-S855 PolarHBondContact NE1-OG 3.24Å; W675-H871 HydrophobicContact CD2-CB 4.32Å; W675-H871 AromaticContact CD2-CD2 3.55Å; W675-H871 AromaticContact CE3-CD2 3.55Å; W675-H871 HydrophobicContact CG-CB 4.2Å; W675-H871 AromaticContact CG-CD2 3.6Å; W675-K961 HydrophobicContact CD2-CG 4.37Å; W675-K961 HydrophobicContact CE3-CD 4.18Å; W675-K961 HydrophobicContact CE3-CG 3.98Å; W675-K961 HydrophobicContact CH2-CB 4.27Å; W675-K961 HydrophobicContact CH2-CG 4.16Å; W675-K961 HydrophobicContact CZ3-CB 4.1Å; W675-K961 HydrophobicContact CZ3-CD 4.39Å; W675-K961 HydrophobicContact CZ3-CG 3.87Å; W675-I964 HydrophobicContact CH2-CB 4.01Å; W675-I964 HydrophobicContact CH2-CG2 3.92Å; W675-I964 HydrophobicContact CZ2-CB 4.13Å; W675-I964 HydrophobicContact CZ2-CG2 3.89Å
676	E	90.5	Very high	75.1	Confident	7 Å²	7	72.3 Å²	72.3	3%	0.033	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-62.2	131	-175.1	-160.9	67.5	-157.3	0	0	111.7	D674 I744 R748 N853 S877 D878	D674-E676 WeakPolarHBondContact OD1-CB 3.38Å; D674-E676 PolarHBondContact OD1-N 3.02Å; E676-I744 HydrophobicContact CB-CG2 3.97Å; E676-I744 HydrophobicContact CG-CG1 4.48Å; E676-I744 HydrophobicContact CG-CG2 4.26Å; E676-R748 IonicContact OE2-CZ 2.96Å; E676-R748 IonicContact OE2-NH1 3.37Å; E676-N853 PolarHBondContact N-ND2 2.99Å; E676-N853 PolarHBondContact OE2-ND2 3.09Å; E676-S877 PolarHBondContact OE1-N 2.65Å; E676-S877 PolarHBondContact OE2-N 2.67Å; E676-S877 PolarHBondContact OE2-OG 3.11Å; E676-D878 HydrophobicContact CG-CB 4.3Å; E676-D878 PolarHBondContact OE1-N 3.03Å
677	P	86.5	Confident	72.5	Confident	46 Å²	46	77.9 Å²	77.9	30%	0.299	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-74.3	148.1	173.4	29.8	-33.3	0	0	0	110.5	K679 G875 R876	P677-K679 PolarHBondContact O-N 3.43Å; P677-G875 WeakPolarHBondContact CD-O 3.26Å; P677-R876 HydrophobicContact CG-CG 4.09Å
678	P	82.2	Confident	69.6	Low	69 Å²	69	80.3 Å²	80.3	45%	0.448	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-60.1	137.1	174.9	26.1	-33.9	0	0	0	110.8	F680 T742 I744	P678-F680 PolarHBondContact O-N 3.34Å; P678-F680 VanDerWaalsContact O-N 3.14Å; P678-T742 CarbonylContact C-O 3.56Å; P678-T742 WeakPolarHBondContact CA-O 3.5Å; P678-T742 HydrophobicContact CB-CG2 4.22Å; P678-I744 HydrophobicContact CB-CD1 4.49Å
679	K	74.9	Confident	67	Low	101 Å²	101	85.4 Å²	85.4	44%	0.439	44%	0.44	S	S	.	.			trans	-73.8	101.5	171.3	-62.8	-176.8	-173.5	156	0	107.7	P677 N681 T742 G743	P677-K679 PolarHBondContact O-N 3.43Å; K679-N681 PolarHBondContact O-N 3.33Å; K679-T742 PolarHBondContact N-O 2.56Å; K679-G743 VanDerWaalsContact CD-O 3.23Å; K679-G743 WeakPolarHBondContact CD-O 3.4Å; K679-G743 WeakPolarHBondContact CE-O 3.41Å; K679-G743 PolarHBondContact NZ-O 3.46Å
680	F	65.1	Low	64.2	Low	190 Å²	190	90.4 Å²	90.4	83%	0.833	47%	0.473	S	S	*	.			trans	-63.9	102.9	167.6	-90.7	-84.5	0	0	0	108.7	P678 R682	P678-F680 PolarHBondContact O-N 3.34Å; P678-F680 VanDerWaalsContact O-N 3.14Å; F680-R682 PolarHBondContact O-N 3.02Å
681	N	51	Low	61.2	Low	139 Å²	139	95.1 Å²	95.1	74%	0.743	51%	0.507	S	S	*	.			trans	-64.1	102.6	172	-121.1	-15.5	0	0	0	107.4	K679 N683	K679-N681 PolarHBondContact O-N 3.33Å; N681-N683 PolarHBondContact O-N 2.86Å
682	R	42	Very low	58.2	Low	216 Å²	216	102 Å²	102	82%	0.815	54%	0.544	S	S	*	.			trans	-73.3	42.7	174.6	-120.4	-170.9	-170	173.4	2.5	111.1	F680 I684	F680-R682 PolarHBondContact O-N 3.02Å; R682-I684 HydrophobicContact CG-CD1 4.01Å; R682-I684 HydrophobicContact CG-CG1 4.47Å; R682-I684 PolarHBondContact O-N 2.95Å; R682-I684 VanDerWaalsContact O-N 3.11Å
683	N	40.6	Very low	55.1	Low	139 Å²	139	107.3 Å²	107.3	74%	0.743	58%	0.577	S	S	*	*			trans	-87.4	67.1	158.4	-74.3	-9.3	0	0	0	107.7	N681 N685	N681-N683 PolarHBondContact O-N 2.86Å; N683-N685 PolarHBondContact O-N 3.47Å
684	I	40.5	Very low	52.1	Low	127 Å²	127	114.6 Å²	114.6	65%	0.651	62%	0.616	S	S	*	*			trans	-50.5	121.1	151.1	-69.7	164.4	0	0	0	105.5	R682 N686	R682-I684 HydrophobicContact CG-CD1 4.01Å; R682-I684 HydrophobicContact CG-CG1 4.47Å; R682-I684 PolarHBondContact O-N 2.95Å; R682-I684 VanDerWaalsContact O-N 3.11Å; I684-N686 PolarHBondContact O-N 3.02Å
685	N	36.8	Very low	49.1	Very low	142 Å²	142	121.3 Å²	121.3	76%	0.759	65%	0.65	S	S	*	*			trans	-42.7	118	164.8	-72.3	-33	0	0	0	108.5	N683 V687	N683-N685 PolarHBondContact O-N 3.47Å; N685-V687 PolarHBondContact O-N 3.41Å
686	N	33.4	Very low	46	Very low	161 Å²	161	128.8 Å²	128.8	86%	0.861	69%	0.686	S	S	*	*			trans	-50.9	91.1	163.9	-80.9	-26.1	0	0	0	108.8	I684	I684-N686 PolarHBondContact O-N 3.02Å
687	V	36.8	Very low	42.9	Very low	129 Å²	129	133.6 Å²	133.6	78%	0.782	72%	0.72	S	S	*	*			trans	-101.8	107.3	155.6	-177.2	0	0	0	0	104.6	N685	N685-V687 PolarHBondContact O-N 3.41Å
688	N	30.7	Very low	40.1	Very low	142 Å²	142	136.5 Å²	136.5	76%	0.759	74%	0.742	S	S	*	*			trans	-43	127.2	-172	-60.8	-43.8	0	0	0	112.9
689	P	36.7	Very low	37.5	Very low	119 Å²	119	138 Å²	138	77%	0.773	75%	0.754	S	S	*	*			trans	-79.2	136.1	170.8	30.4	-29.4	0	0	0	110
690	P	35.2	Very low	35.2	Very low	123 Å²	123	145.5 Å²	145.5	80%	0.799	78%	0.78	S	S	*	*			trans	-73.6	136.7	166.9	28.3	-26	0	0	0	109.7
691	S	30.1	Very low	33.3	Very low	103 Å²	103	140.9 Å²	140.9	72%	0.72	77%	0.771	S	S	*	*			trans	-42.8	127.4	166.9	49.3	0	0	0	0	113.2
692	N	33.6	Very low	32.2	Very low	148 Å²	148	143.4 Å²	143.4	79%	0.791	78%	0.779	S	S	*	*				-167.8	117.2	123.1	-93.5	-12.3	0	0	0	110.7
693	T	30.4	Very low	31.5	Very low	112 Å²	112	139 Å²	139	69%	0.687	78%	0.78	S	S	*	*			trans	-5.8	124.9	141.3	46.5	0	0	0	0	116.2
694	D	31.1	Very low	30.9	Very low	153 Å²	153	141.3 Å²	141.3	82%	0.818	79%	0.792	S	S	*	*				-172.1	150	94.6	-93.6	-33.1	0	0	0	113.2
695	I	29.8	Very low	30.2	Very low	150 Å²	150	138.3 Å²	138.3	77%	0.769	79%	0.792	S	S	*	*			trans	-70	135.2	-176.4	-66.6	154.1	0	0	0	110.3
696	Q	28.4	Very low	29.6	Very low	188 Å²	188	140.4 Å²	140.4	88%	0.879	80%	0.795	S	S	*	*			trans	-167.6	124.3	131.4	-105.7	167.5	26.9	0	0	113.2
697	S	26	Very low	29.4	Very low	108 Å²	108	144 Å²	144	76%	0.755	80%	0.798	S	S	*	*			trans	-55.5	134.1	163.4	49.5	0	0	0	0	113
698	S	27	Very low	28.9	Very low	108 Å²	108	144.1 Å²	144.1	76%	0.755	79%	0.794	S	S	*	*			trans	-174.6	135.4	132.7	50	0	0	0	0	112.6
699	S	28.1	Very low	28.8	Very low	101 Å²	101	144.9 Å²	144.9	71%	0.706	80%	0.796	S	S	*	*			trans	49.9	98.6	150	45.9	0	0	0	0	120.3	S701	S699-S701 PolarHBondContact O-N 3.39Å
700	R	24.9	Very low	28.3	Very low	257 Å²	257	147.3 Å²	147.3	97%	0.97	80%	0.801	S	S	*	*			trans	-50.4	87.2	152	-165.6	-177.3	-154.7	178.8	4.1	112.5
701	S	26.8	Very low	28.1	Very low	94 Å²	94	146.3 Å²	146.3	66%	0.657	80%	0.797	S	S	*	*			trans	-172.7	137.3	156.2	53.5	0	0	0	0	109.8	S699	S699-S701 PolarHBondContact O-N 3.39Å
702	Q	27.3	Very low	28	Very low	192 Å²	192	149 Å²	149	90%	0.897	80%	0.804	S	S	*	*			trans	89.9	73.1	177.8	-51.4	179.9	8.9	0	0	116.6
703	S	27.6	Very low	27.8	Very low	122 Å²	122	150.6 Å²	150.6	85%	0.853	81%	0.808	S	S	*	*			trans	-132.4	56.8	147	76	0	0	0	0	110.2
704	L	28.3	Very low	27.6	Very low	189 Å²	189	151.4 Å²	151.4	99%	0.99	81%	0.814	S	S	*	*			trans	-100.1	74.7	157.4	-142	91.5	0	0	0	106
705	G	25.6	Very low	27.5	Very low	64 Å²	64	151.4 Å²	151.4	66%	0.66	81%	0.813	S	S	*	*			trans	-157.3	105.2	-172.2	0	0	0	0	0	112
706	K	24.6	Very low	27.4	Very low	185 Å²	185	151.6 Å²	151.6	80%	0.804	82%	0.816	S	S	*	*			trans	65.6	82.9	158.2	-68	175.1	174.5	175.9	0	117.1	N708	K706-N708 VanDerWaalsContact C-N 3.28Å; K706-N708 PolarHBondContact O-N 3.48Å
707	Y	27.6	Very low	27.4	Very low	237 Å²	237	151 Å²	151	93%	0.929	82%	0.818	S	S	*	*			trans	-86	75.4	140.6	-91	-90.8	0	0	0	108.8
708	N	26.6	Very low	27.7	Very low	132 Å²	132	152.2 Å²	152.2	71%	0.706	82%	0.821	S	S	*	*			trans	-110.9	69.9	162.2	-82.4	4.6	0	0	0	107.7	K706	K706-N708 VanDerWaalsContact C-N 3.28Å; K706-N708 PolarHBondContact O-N 3.48Å
709	I	28.5	Very low	28	Very low	157 Å²	157	153.6 Å²	153.6	81%	0.805	82%	0.824	S	S	*	*			trans	-143.4	58.1	163.7	-47.6	178.2	0	0	0	108.2
710	I	27.8	Very low	28	Very low	170 Å²	170	159.8 Å²	159.8	87%	0.872	83%	0.832	S	S	*	*			trans	-145.8	64.3	151.4	-50	-179.5	0	0	0	106.2
711	S	29.6	Very low	28.3	Very low	103 Å²	103	152.6 Å²	152.6	72%	0.72	82%	0.821	S	S	*	*			trans	-134.7	50.9	166	66.1	0	0	0	0	107.8
712	D	27.4	Very low	28.9	Very low	159 Å²	159	158 Å²	158	85%	0.85	83%	0.833	S	S	*	*	S	Bend	trans	-160.1	66.4	168	-137.7	4.2	0	0	0	110.5
713	M	29.6	Very low	29.1	Very low	181 Å²	181	158.4 Å²	158.4	89%	0.892	83%	0.832	S	S	*	*	S	Bend	trans	-174.4	61.9	158.4	-103.1	-178.2	-168.5	0	0	107.8
714	T	27.4	Very low	29.3	Very low	130 Å²	130	160 Å²	160	80%	0.798	83%	0.825	S	S	*	*			trans	-156.9	37.2	167	-0.5	0	0	0	0	112
715	D	28.9	Very low	29.6	Very low	152 Å²	152	158 Å²	158	81%	0.813	82%	0.815	S	S	*	*	S	Bend	trans	-110.7	133.1	153.2	-92.5	-28.4	0	0	0	107.5
716	N	27.8	Very low	29.8	Very low	154 Å²	154	166.6 Å²	166.6	82%	0.824	83%	0.828	S	S	*	*			trans	105.3	53.1	-179.6	-51.2	-38.2	0	0	0	116.8
717	L	28.6	Very low	30.2	Very low	177 Å²	177	163.2 Å²	163.2	93%	0.927	83%	0.827	S	S	*	*			trans	-128.4	55.5	153	-98.4	149.4	0	0	0	110.1	V719	L717-V719 PolarHBondContact O-N 2.82Å
718	V	31.6	Very low	30.3	Very low	133 Å²	133	156.4 Å²	156.4	81%	0.806	81%	0.814	S	S	*	*			trans	-77.8	113.8	163.3	176.7	0	0	0	0	108.5	R720	V718-R720 PolarHBondContact O-N 3.49Å; V718-R720 VanDerWaalsContact O-N 3.11Å
719	V	33.3	Very low	30.5	Very low	137 Å²	137	157.6 Å²	157.6	83%	0.83	82%	0.82	S	S	*	*			trans	-17.8	98.3	165.4	-175.2	0	0	0	0	114.1	L717	L717-V719 PolarHBondContact O-N 2.82Å
720	R	28	Very low	30.6	Very low	230 Å²	230	158.4 Å²	158.4	87%	0.868	82%	0.82	S	S	*	*			trans	-87.3	124	163.6	-97.9	-178.5	177	172.1	-0.7	110.4	V718	V718-R720 PolarHBondContact O-N 3.49Å; V718-R720 VanDerWaalsContact O-N 3.11Å
721	S	31.9	Very low	30.8	Very low	106 Å²	106	156.1 Å²	156.1	74%	0.741	82%	0.816	S	S	*	*			trans	-64	148.7	-175.3	179.6	0	0	0	0	113.6	K723	S721-K723 PolarHBondContact O-N 3.33Å
722	K	38.8	Very low	30.8	Very low	209 Å²	209	155.9 Å²	155.9	91%	0.909	82%	0.815	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	12.5	-169.4	-101.6	178.5	177.1	176.8	0	118.1
723	K	31.9	Very low	31.3	Very low	200 Å²	200	153.5 Å²	153.5	87%	0.87	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	-8.4	-170.1	-123.9	178	-179.1	-179.3	0	116.8	S721	S721-K723 PolarHBondContact O-N 3.33Å
724	E	31.1	Very low	31.4	Very low	154 Å²	154	152 Å²	152	72%	0.72	81%	0.805	S	S	*	*	S	Bend	trans	-111	4.3	179.8	-72.6	-175.2	160.3	0	0	115.5	R726	E724-R726 PolarHBondContact O-N 3.15Å
725	L	35.4	Very low	31.8	Very low	149 Å²	149	153.6 Å²	153.6	78%	0.78	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	13.8	179.5	-155.1	73.7	0	0	0	114.6
726	R	30.1	Very low	32.1	Very low	244 Å²	244	150.6 Å²	150.6	92%	0.921	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.6	-1.5	-177.5	-80.3	-169.7	178.1	-176.3	0	115.7	E724	E724-R726 PolarHBondContact O-N 3.15Å
727	S	32.3	Very low	32.7	Very low	114 Å²	114	150.7 Å²	150.7	80%	0.797	80%	0.798	S	S	*	*	S	Bend	trans	-118.7	10	-179.6	66.3	0	0	0	0	115.8
728	S	29.9	Very low	33.3	Very low	94 Å²	94	150.8 Å²	150.8	66%	0.657	79%	0.794	S	S	*	*			trans	-123.7	56.8	172.5	55.5	0	0	0	0	111.6
729	L	31.2	Very low	34	Very low	156 Å²	156	152.2 Å²	152.2	82%	0.817	79%	0.794	S	S	*	*			trans	-110.8	70.6	163.1	-85.1	145.4	0	0	0	107.7
730	Q	28.9	Very low	34.9	Very low	174 Å²	174	153.5 Å²	153.5	81%	0.813	79%	0.79	S	S	*	*	S	Bend	trans	-113.7	132	153	-81.7	-172.2	-23	0	0	107	S732	Q730-S732 PolarHBondContact O-N 2.77Å
731	P	33	Very low	36.5	Very low	122 Å²	122	149 Å²	149	79%	0.792	78%	0.784	S	S	*	*			trans	-73.8	100.7	-167.9	29.7	-31.6	0	0	0	108.5	S733	P731-S733 PolarHBondContact O-N 3.11Å
732	S	30.4	Very low	38.3	Very low	98 Å²	98	146.2 Å²	146.2	69%	0.685	76%	0.762	S	S	*	*			trans	-65.3	88.6	164.6	22.8	0	0	0	0	108.6	Q730 I734	Q730-S732 PolarHBondContact O-N 2.77Å; S732-I734 PolarHBondContact O-N 2.85Å
733	S	36.8	Very low	40.2	Very low	109 Å²	109	137.4 Å²	137.4	76%	0.762	73%	0.731	S	S	*	*			trans	-59.6	86	150	53.1	0	0	0	0	108.1	P731	P731-S733 PolarHBondContact O-N 3.11Å
734	I	32	Very low	42.6	Very low	151 Å²	151	130 Å²	130	77%	0.774	70%	0.701	S	S	*	*			trans	-172.5	72.8	150	-72	128.6	0	0	0	103.9	S732	S732-I734 PolarHBondContact O-N 2.85Å
735	I	35.1	Very low	45.2	Very low	163 Å²	163	124.4 Å²	124.4	84%	0.836	68%	0.678	S	S	*	*			trans	-129.9	62.3	158.5	-51.2	178	0	0	0	105.5
736	S	36.8	Very low	47.7	Very low	88 Å²	88	121.1 Å²	121.1	62%	0.615	66%	0.664	S	S	*	*	S	Bend	trans	-146.7	106.7	168.3	52	0	0	0	0	104.8
737	D	39.1	Very low	50.6	Low	157 Å²	157	117.3 Å²	117.3	84%	0.84	65%	0.65	S	S	*	*	S	Bend	trans	135	13.9	157.1	-71.5	-5.3	0	0	0	118
738	Q	40.8	Very low	53.4	Low	178 Å²	178	112.9 Å²	112.9	83%	0.832	62%	0.616	S	S	*	*			trans	-128.9	61.5	160	-64.6	-161.4	-12.2	0	0	111.7	E740	Q738-E740 PolarHBondContact O-N 3.39Å; Q738-E740 VanDerWaalsContact O-N 3.14Å
739	M	47.6	Very low	56.4	Low	164 Å²	164	108.8 Å²	108.8	81%	0.808	59%	0.586	S	S	*	*			trans	-68.6	98.2	143.1	-80.2	178.3	70	0	0	105	D741	M739-D741 PolarHBondContact O-N 3.24Å
740	E	52.3	Low	59.4	Low	163 Å²	163	101.7 Å²	101.7	76%	0.762	55%	0.549	S	S	*	.			trans	-55.8	107.9	168.7	-82.2	-177.8	151.8	0	0	107.6	Q738 T742	Q738-E740 PolarHBondContact O-N 3.39Å; Q738-E740 VanDerWaalsContact O-N 3.14Å; E740-T742 VanDerWaalsContact C-N 3.29Å; E740-T742 PolarHBondContact O-N 2.89Å
741	D	61.1	Low	62.4	Low	136 Å²	136	98.9 Å²	98.9	73%	0.727	53%	0.532	S	S	*	.			trans	-66.8	96.8	168.2	-176.8	8.1	0	0	0	107.4	M739 G743	M739-D741 PolarHBondContact O-N 3.24Å; D741-G743 PolarHBondContact O-N 3.33Å; D741-G743 WeakPolarHBondContact OD1-CA 3.45Å; D741-G743 PolarHBondContact OD1-N 2.79Å
742	T	70.3	Confident	65.4	Low	48 Å²	48	93 Å²	93	29%	0.294	49%	0.494	S	S	.	.			trans	-65.8	-8.3	174.6	57.8	0	0	0	0	112.2	P678 K679 E740 I744	P678-T742 CarbonylContact C-O 3.56Å; P678-T742 WeakPolarHBondContact CA-O 3.5Å; P678-T742 HydrophobicContact CB-CG2 4.22Å; K679-T742 PolarHBondContact N-O 2.56Å; E740-T742 VanDerWaalsContact C-N 3.29Å; E740-T742 PolarHBondContact O-N 2.89Å; T742-I744 PolarHBondContact O-N 3.46Å; T742-I744 WeakPolarHBondContact OG1-CD1 3.07Å; T742-I744 WeakPolarHBondContact OG1-CG1 3.35Å
743	G	77	Confident	68.4	Low	24 Å²	24	88.4 Å²	88.4	25%	0.247	46%	0.462	C	S	.	.			trans	67.9	9.6	-175.2	0	0	0	0	0	114.1	K679 D741	K679-G743 VanDerWaalsContact CD-O 3.23Å; K679-G743 WeakPolarHBondContact CD-O 3.4Å; K679-G743 WeakPolarHBondContact CE-O 3.41Å; K679-G743 PolarHBondContact NZ-O 3.46Å; D741-G743 PolarHBondContact O-N 3.33Å; D741-G743 WeakPolarHBondContact OD1-CA 3.45Å; D741-G743 PolarHBondContact OD1-N 2.79Å
744	I	82.4	Confident	71.2	Confident	45 Å²	45	84.1 Å²	84.1	23%	0.231	43%	0.43	C	S	.	.			trans	-83	125.5	-179.1	-59.7	173.8	0	0	0	109.1	D674 E676 P678 T742 V746	D674-I744 VanDerWaalsContact OD2-CG2 3.26Å; D674-I744 WeakPolarHBondContact OD2-CG2 3.41Å; E676-I744 HydrophobicContact CB-CG2 3.97Å; E676-I744 HydrophobicContact CG-CG1 4.48Å; E676-I744 HydrophobicContact CG-CG2 4.26Å; P678-I744 HydrophobicContact CB-CD1 4.49Å; T742-I744 PolarHBondContact O-N 3.46Å; T742-I744 WeakPolarHBondContact OG1-CD1 3.07Å; T742-I744 WeakPolarHBondContact OG1-CG1 3.35Å; I744-V746 PolarHBondContact O-N 3.49Å
745	S	87.2	Confident	74.1	Confident	36 Å²	36	79.2 Å²	79.2	25%	0.252	40%	0.404	S	S	.	.			trans	-74.8	120.3	177.8	-173	0	0	0	0	111	W747 R748 D878	S745-W747 PolarHBondContact O-N 2.97Å; S745-W747 PolarHBondContact OG-N 3.35Å; S745-R748 PolarHBondContact O-NH2 3.28Å; S745-D878 VanDerWaalsContact CB-OD1 3.22Å; S745-D878 WeakPolarHBondContact CB-OD1 3.11Å; S745-D878 WeakPolarHBondContact CB-OD2 3.37Å; S745-D878 PolarHBondContact N-OD2 3.5Å
746	V	87.1	Confident	76.9	Confident	80 Å²	80	71.7 Å²	71.7	49%	0.485	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-21.2	172.8	68.9	0	0	0	0	112.6	I744 R748 I749 I750	I744-V746 PolarHBondContact O-N 3.49Å; V746-R748 PolarHBondContact O-N 2.8Å; V746-R748 VanDerWaalsContact O-N 3.14Å; V746-I749 WeakPolarHBondContact O-CB 3.32Å; V746-I749 PolarHBondContact O-N 2.97Å; V746-I750 HydrophobicContact CG1-CD1 4.09Å; V746-I750 HydrophobicContact CG2-CD1 4.25Å; V746-I750 HydrophobicContact CG2-CG1 4.37Å; V746-I750 PolarHBondContact O-N 3.39Å; V746-I750 VanDerWaalsContact O-N 3.15Å
747	W	91.2	Very high	79.6	Confident	163 Å²	163	68 Å²	68	62%	0.617	34%	0.339	S	S	*	.	H	α-helix	trans	-60.5	-27.3	-175.4	-70.7	110.3	0	0	0	113.4	S745 I750 Y751 F1073	S745-W747 PolarHBondContact O-N 2.97Å; S745-W747 PolarHBondContact OG-N 3.35Å; W747-I750 HydrophobicContact CD2-CD1 4.46Å; W747-I750 HydrophobicContact CE3-CB 4.33Å; W747-I750 HydrophobicContact CE3-CD1 3.92Å; W747-I750 HydrophobicContact CE3-CG2 4.24Å; W747-I750 HydrophobicContact CZ3-CD1 4.1Å; W747-I750 HydrophobicContact CZ3-CG2 4.33Å; W747-I750 PolarHBondContact O-N 2.92Å; W747-Y751 WeakPolarHBondContact O-CB 3.26Å; W747-Y751 PolarHBondContact O-N 2.96Å; W747-F1073 HydrophobicContact CH2-CD1 4.44Å; W747-F1073 HydrophobicContact CH2-CE1 4.42Å; W747-F1073 HydrophobicContact CZ3-CD1 4.5Å
748	R	92.1	Very high	82.1	Confident	21 Å²	21	65.7 Å²	65.7	8%	0.079	32%	0.323	C	S	.	.	H	α-helix	trans	-63	-43.1	174.9	-65	-178.2	-67.1	107.5	13.2	111.7	D674 E676 S745 V746 Y751 V752 A852 V854 S877 D878	D674-R748 VanDerWaalsContact CG-NH2 3.28Å; D674-R748 IonicContact OD1-CZ 3.84Å; D674-R748 IonicContact OD1-NH1 3.29Å; D674-R748 PolarHBondContact OD1-NH1 3.4Å; D674-R748 IonicContact OD1-NH2 3.67Å; D674-R748 PolarHBondContact OD1-NH2 2.92Å; D674-R748 IonicContact OD2-CZ 3.24Å; D674-R748 IonicContact OD2-NH2 3.84Å; D674-R748 PolarHBondContact OD2-NH2 3.35Å; E676-R748 IonicContact OE2-CZ 2.96Å; E676-R748 IonicContact OE2-NH1 3.37Å; S745-R748 PolarHBondContact O-NH2 3.28Å; V746-R748 PolarHBondContact O-N 2.8Å; V746-R748 VanDerWaalsContact O-N 3.14Å; R748-Y751 PolarHBondContact O-N 2.97Å; R748-V752 WeakPolarHBondContact O-CG2 3.3Å; R748-V752 PolarHBondContact O-N 3.21Å; R748-A852 WeakPolarHBondContact CD-O 3.24Å; R748-A852 PolarHBondContact NH1-O 2.9Å; R748-V854 HydrophobicContact CB-CG2 4.26Å; R748-S877 WeakPolarHBondContact CD-OG 3.2Å; R748-S877 PolarHBondContact NE-OG 3.34Å; R748-S877 PolarHBondContact NH1-OG 3.31Å; R748-S877 VanDerWaalsContact NH1-OG 3.12Å; R748-D878 WeakPolarHBondContact CD-OD1 3.24Å; R748-D878 IonicContact CZ-OD2 2.97Å; R748-D878 IonicContact NE-OD1 3.95Å; R748-D878 PolarHBondContact NE-OD1 3.32Å; R748-D878 IonicContact NE-OD2 3.74Å; R748-D878 PolarHBondContact NE-OD2 3.35Å; R748-D878 IonicContact NH2-OD2 3.97Å
749	I	92.7	Very high	84.6	Confident	9 Å²	9	57.6 Å²	57.6	5%	0.046	29%	0.285	C	S	.	.	H	α-helix	trans	-67.2	-46.5	176.9	-60.5	168.5	0	0	0	110.2	L672 D674 V746 Y751 V752 A753 V854 Y953 V1069	L672-I749 HydrophobicContact CB-CG2 4.11Å; L672-I749 HydrophobicContact CD1-CG2 3.57Å; L672-I749 HydrophobicContact CG-CG2 4.46Å; D674-I749 HydrophobicContact CB-CD1 3.95Å; D674-I749 HydrophobicContact CB-CG1 4.2Å; V746-I749 WeakPolarHBondContact O-CB 3.32Å; V746-I749 PolarHBondContact O-N 2.97Å; I749-Y751 VanDerWaalsContact C-N 3.28Å; I749-Y751 PolarHBondContact O-N 2.92Å; I749-V752 PolarHBondContact O-N 2.85Å; I749-A753 WeakPolarHBondContact O-CB 3.39Å; I749-A753 PolarHBondContact O-N 2.92Å; I749-V854 HydrophobicContact CG1-CG2 4.22Å; I749-Y953 WeakPolarHBondContact CD1-OH 3.44Å; I749-V1069 HydrophobicContact CG2-CG2 3.89Å
750	I	93	Very high	86.8	Confident	7 Å²	7	50 Å²	50	4%	0.036	25%	0.247	C	C	.	.	H	α-helix	trans	-59.9	-42.8	178.5	-66	171.4	0	0	0	110.3	V746 W747 A753 N754 V1069 F1073	V746-I750 HydrophobicContact CG1-CD1 4.09Å; V746-I750 HydrophobicContact CG2-CD1 4.25Å; V746-I750 HydrophobicContact CG2-CG1 4.37Å; V746-I750 PolarHBondContact O-N 3.39Å; V746-I750 VanDerWaalsContact O-N 3.15Å; W747-I750 HydrophobicContact CD2-CD1 4.46Å; W747-I750 HydrophobicContact CE3-CB 4.33Å; W747-I750 HydrophobicContact CE3-CD1 3.92Å; W747-I750 HydrophobicContact CE3-CG2 4.24Å; W747-I750 HydrophobicContact CZ3-CD1 4.1Å; W747-I750 HydrophobicContact CZ3-CG2 4.33Å; W747-I750 PolarHBondContact O-N 2.92Å; I750-A753 PolarHBondContact O-N 3.43Å; I750-N754 PolarHBondContact O-N 3.02Å; I750-N754 PolarHBondContact O-ND2 3.46Å; I750-V1069 HydrophobicContact CG1-CG1 4.09Å; I750-F1073 HydrophobicContact CD1-CB 4.19Å; I750-F1073 HydrophobicContact CD1-CD1 4.26Å; I750-F1073 HydrophobicContact CD1-CD2 4.33Å; I750-F1073 HydrophobicContact CD1-CG 4.01Å; I750-F1073 HydrophobicContact CG1-CB 4.4Å; I750-F1073 HydrophobicContact CG2-CB 3.89Å
751	Y	92.9	Very high	88.7	Confident	114 Å²	114	43.7 Å²	43.7	45%	0.447	22%	0.22	S	C	.	.	H	α-helix	trans	-62.6	-48.8	179.1	-173.9	-127.2	0	0	0	111.5	W747 R748 I749 A753 N754 E755 L848	W747-Y751 WeakPolarHBondContact O-CB 3.26Å; W747-Y751 PolarHBondContact O-N 2.96Å; R748-Y751 PolarHBondContact O-N 2.97Å; I749-Y751 VanDerWaalsContact C-N 3.28Å; I749-Y751 PolarHBondContact O-N 2.92Å; Y751-A753 VanDerWaalsContact C-N 3.3Å; Y751-A753 PolarHBondContact O-N 2.87Å; Y751-N754 PolarHBondContact O-N 3.41Å; Y751-E755 HydrophobicContact CD2-CG 4.24Å; Y751-E755 HydrophobicContact CE1-CG 4.49Å; Y751-E755 HydrophobicContact CE2-CG 3.8Å; Y751-E755 WeakPolarHBondContact CE2-OE1 3.25Å; Y751-E755 VanDerWaalsContact CZ-OE1 3.3Å; Y751-E755 VanDerWaalsContact O-CG 3.3Å; Y751-E755 WeakPolarHBondContact O-CG 3.3Å; Y751-E755 PolarHBondContact O-N 3.44Å; Y751-E755 PolarHBondContact OH-OE1 3.14Å; Y751-L848 HydrophobicContact CD1-CD1 3.8Å; Y751-L848 HydrophobicContact CD1-CD2 4.19Å; Y751-L848 HydrophobicContact CE1-CD1 3.35Å; Y751-L848 HydrophobicContact CE1-CD2 3.82Å; Y751-L848 HydrophobicContact CE1-CG 4.21Å
752	V	94.7	Very high	90.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.3	-37.7	174.7	172.9	0	0	0	0	111.9	L672 R748 I749 W756 F845 L848 A852 V854 V856	L672-V752 HydrophobicContact CD1-CG1 4.42Å; L672-V752 HydrophobicContact CD2-CG1 4.01Å; R748-V752 WeakPolarHBondContact O-CG2 3.3Å; R748-V752 PolarHBondContact O-N 3.21Å; I749-V752 PolarHBondContact O-N 2.85Å; V752-W756 WeakPolarHBondContact O-CB 3.41Å; V752-W756 PolarHBondContact O-N 3.35Å; V752-F845 HydrophobicContact CG1-CE2 4.1Å; V752-F845 HydrophobicContact CG1-CZ 3.99Å; V752-L848 HydrophobicContact CG2-CG 4.46Å; V752-A852 HydrophobicContact CG2-CB 3.84Å; V752-V854 HydrophobicContact CG1-CG1 4.37Å; V752-V854 HydrophobicContact CG2-CB 4.24Å; V752-V854 HydrophobicContact CG2-CG1 4.43Å; V752-V856 HydrophobicContact CG1-CG2 4.23Å
753	A	94.8	Very high	91.3	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.008	19%	0.188	C	C	.	.	H	α-helix	trans	-67.4	-37.1	177.7	0	0	0	0	0	112.9	L672 I749 I750 Y751 W756 N757 T1063 L1074	L672-A753 HydrophobicContact CD1-CB 3.95Å; I749-A753 WeakPolarHBondContact O-CB 3.39Å; I749-A753 PolarHBondContact O-N 2.92Å; I750-A753 PolarHBondContact O-N 3.43Å; Y751-A753 VanDerWaalsContact C-N 3.3Å; Y751-A753 PolarHBondContact O-N 2.87Å; A753-W756 WeakPolarHBondContact O-CB 3.36Å; A753-N757 PolarHBondContact O-N 2.9Å; A753-N757 VanDerWaalsContact O-N 3.09Å; A753-T1063 HydrophobicContact CB-CG2 4.39Å; A753-L1074 HydrophobicContact CB-CD2 3.64Å
754	N	94.2	Very high	91.9	Very high	18 Å²	18	40.4 Å²	40.4	10%	0.096	19%	0.187	C	C	.	.	H	α-helix	trans	-67	-48.7	174.5	-81.6	-28.3	0	0	0	111.7	I750 Y751 W756 N757 E758 F1073 L1074 I1075	I750-N754 PolarHBondContact O-N 3.02Å; I750-N754 PolarHBondContact O-ND2 3.46Å; Y751-N754 PolarHBondContact O-N 3.41Å; N754-W756 PolarHBondContact O-N 3.47Å; N754-N757 WeakPolarHBondContact O-CA 3.5Å; N754-N757 WeakPolarHBondContact O-CB 3.33Å; N754-N757 PolarHBondContact O-N 3.23Å; N754-E758 PolarHBondContact O-N 2.76Å; N754-F1073 PolarHBondContact ND2-O 2.67Å; N754-F1073 PolarHBondContact OD1-O 2.9Å; N754-L1074 WeakPolarHBondContact OD1-CA 3.32Å; N754-I1075 PolarHBondContact OD1-N 3.28Å
755	E	93.9	Very high	92.3	Very high	49 Å²	49	38.7 Å²	38.7	23%	0.229	18%	0.178	C	C	.	.	H	α-helix	trans	-62	-34	177.4	-66.5	-77.8	169.3	0	0	111.2	Y751 E758 I759 F845 L848	Y751-E755 HydrophobicContact CD2-CG 4.24Å; Y751-E755 HydrophobicContact CE1-CG 4.49Å; Y751-E755 HydrophobicContact CE2-CG 3.8Å; Y751-E755 WeakPolarHBondContact CE2-OE1 3.25Å; Y751-E755 VanDerWaalsContact CZ-OE1 3.3Å; Y751-E755 VanDerWaalsContact O-CG 3.3Å; Y751-E755 WeakPolarHBondContact O-CG 3.3Å; Y751-E755 PolarHBondContact O-N 3.44Å; Y751-E755 PolarHBondContact OH-OE1 3.14Å; E755-E758 PolarHBondContact O-N 2.96Å; E755-I759 WeakPolarHBondContact O-CG1 3.46Å; E755-I759 PolarHBondContact O-N 2.69Å; E755-F845 HydrophobicContact CB-CD2 4.06Å; E755-F845 HydrophobicContact CB-CE2 4.13Å; E755-L848 HydrophobicContact CB-CD2 3.79Å; E755-L848 HydrophobicContact CG-CD2 3.56Å
756	W	94.4	Very high	92.6	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.015	18%	0.181	C	C	.	.	H	α-helix	trans	-62.5	-43	170.5	176.4	-97.9	0	0	0	112.4	M668 I670 V752 A753 N754 I759 Q760 F845 L858 F1007 L1011	M668-W756 HydrophobicContact CE-CH2 4.38Å; M668-W756 HydrophobicContact CE-CZ2 3.91Å; I670-W756 HydrophobicContact CD1-CD2 3.64Å; I670-W756 VanDerWaalsContact CD1-CE2 3.48Å; I670-W756 HydrophobicContact CD1-CE3 4.27Å; I670-W756 HydrophobicContact CD1-CG 3.82Å; I670-W756 HydrophobicContact CD1-CZ2 3.99Å; V752-W756 WeakPolarHBondContact O-CB 3.41Å; V752-W756 PolarHBondContact O-N 3.35Å; A753-W756 WeakPolarHBondContact O-CB 3.36Å; N754-W756 PolarHBondContact O-N 3.47Å; W756-I759 HydrophobicContact CE3-CD1 4.01Å; W756-I759 HydrophobicContact CZ3-CD1 4.41Å; W756-I759 WeakPolarHBondContact O-CG1 3.41Å; W756-I759 PolarHBondContact O-N 2.9Å; W756-Q760 WeakPolarHBondContact O-CG 3.39Å; W756-F845 HydrophobicContact CB-CE2 3.99Å; W756-F845 HydrophobicContact CB-CZ 3.98Å; W756-F845 HydrophobicContact CD2-CZ 4.44Å; W756-F845 HydrophobicContact CE3-CD1 4.49Å; W756-F845 AromaticContact CE3-CE1 3.64Å; W756-F845 HydrophobicContact CE3-CE1 3.64Å; W756-F845 HydrophobicContact CE3-CE2 4.46Å; W756-F845 AromaticContact CE3-CZ 3.64Å; W756-F845 HydrophobicContact CE3-CZ 3.64Å; W756-F845 HydrophobicContact CZ3-CE1 4.11Å; W756-L858 HydrophobicContact CH2-CD1 3.5Å; W756-L858 VanDerWaalsContact CH2-CD1 3.5Å; W756-L858 HydrophobicContact CH2-CD2 3.96Å; W756-L858 HydrophobicContact CH2-CG 4.41Å; W756-L858 HydrophobicContact CZ2-CD1 4.36Å; W756-L858 HydrophobicContact CZ2-CD2 4.11Å; W756-L858 HydrophobicContact CZ3-CD1 3.99Å; W756-F1007 HydrophobicContact CH2-CD2 4.42Å; W756-F1007 AromaticContact CZ3-CD2 3.95Å; W756-F1007 HydrophobicContact CZ3-CD2 3.95Å; W756-F1007 HydrophobicContact CZ3-CE2 4.19Å; W756-L1011 HydrophobicContact CH2-CD2 3.79Å; W756-L1011 HydrophobicContact CZ2-CD2 3.75Å; W756-L1011 HydrophobicContact CZ3-CD2 4.38Å
757	N	92.9	Very high	92.8	Very high	11 Å²	11	36.6 Å²	36.6	6%	0.059	17%	0.167	C	C	.	.	H	α-helix	trans	-64.3	-40.2	176.7	-73.7	-14.2	0	0	0	111.8	A753 N754 I759 Q760 T1063	A753-N757 PolarHBondContact O-N 2.9Å; A753-N757 VanDerWaalsContact O-N 3.09Å; N754-N757 WeakPolarHBondContact O-CA 3.5Å; N754-N757 WeakPolarHBondContact O-CB 3.33Å; N754-N757 PolarHBondContact O-N 3.23Å; N757-I759 VanDerWaalsContact C-N 3.28Å; N757-I759 PolarHBondContact O-N 3Å; N757-Q760 WeakPolarHBondContact O-CG 3.33Å; N757-Q760 PolarHBondContact O-N 3.15Å; N757-Q760 PolarHBondContact OD1-NE2 3.45Å; N757-T1063 WeakPolarHBondContact OD1-CB 3.17Å; N757-T1063 PolarHBondContact OD1-OG1 3.03Å
758	E	92.4	Very high	93	Very high	108 Å²	108	33.8 Å²	33.8	51%	0.505	16%	0.163	S	C	.	.	H	α-helix	trans	-62.5	-32.3	179.1	-70.8	-172.1	-166.7	0	0	113.4	N754 E755	N754-E758 PolarHBondContact O-N 2.76Å; E755-E758 PolarHBondContact O-N 2.96Å
759	I	92.7	Very high	93.1	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.041	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-6	180	64.9	174	0	0	0	114.1	E755 W756 N757 T761 Y762 F845 F1007 L1011	E755-I759 WeakPolarHBondContact O-CG1 3.46Å; E755-I759 PolarHBondContact O-N 2.69Å; W756-I759 HydrophobicContact CE3-CD1 4.01Å; W756-I759 HydrophobicContact CZ3-CD1 4.41Å; W756-I759 WeakPolarHBondContact O-CG1 3.41Å; W756-I759 PolarHBondContact O-N 2.9Å; N757-I759 VanDerWaalsContact C-N 3.28Å; N757-I759 PolarHBondContact O-N 3Å; I759-T761 PolarHBondContact O-N 3.46Å; I759-Y762 WeakPolarHBondContact O-CB 3.44Å; I759-Y762 PolarHBondContact O-N 3.41Å; I759-F845 HydrophobicContact CD1-CB 4.14Å; I759-F845 HydrophobicContact CD1-CD1 3.96Å; I759-F845 HydrophobicContact CD1-CD2 4.02Å; I759-F845 HydrophobicContact CD1-CE1 4.41Å; I759-F845 HydrophobicContact CD1-CE2 4.47Å; I759-F845 HydrophobicContact CD1-CG 3.75Å; I759-F1007 HydrophobicContact CD1-CE2 4.31Å; I759-L1011 HydrophobicContact CB-CD1 4.47Å; I759-L1011 HydrophobicContact CD1-CD1 3.91Å; I759-L1011 HydrophobicContact CG1-CD1 4.01Å
760	Q	92.6	Very high	93.2	Very high	4 Å²	4	37 Å²	37	2%	0.019	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-41.4	-171.6	-63.4	-170.3	0.7	0	0	114.4	W756 N757 L1011 Y1012 T1063	W756-Q760 WeakPolarHBondContact O-CG 3.39Å; N757-Q760 WeakPolarHBondContact O-CG 3.33Å; N757-Q760 PolarHBondContact O-N 3.15Å; N757-Q760 PolarHBondContact OD1-NE2 3.45Å; Q760-L1011 HydrophobicContact CG-CD2 4.41Å; Q760-Y1012 PolarHBondContact O-N 2.97Å; Q760-Y1012 VanDerWaalsContact O-N 3.09Å; Q760-T1063 PolarHBondContact NE2-OG1 3.28Å
761	T	93.2	Very high	93.3	Very high	31 Å²	31	36.8 Å²	36.8	19%	0.19	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	8.5	179.9	45.2	0	0	0	0	113.1	I759 R763 Y1012 T1052 R1055 D1056	I759-T761 PolarHBondContact O-N 3.46Å; T761-R763 PolarHBondContact O-N 2.98Å; T761-Y1012 HydrophobicContact CG2-CD2 3.96Å; T761-Y1012 HydrophobicContact CG2-CE2 3.93Å; T761-T1052 HydrophobicContact CG2-CG2 3.85Å; T761-R1055 HydrophobicContact CG2-CB 3.97Å; T761-R1055 HydrophobicContact CG2-CG 3.64Å; T761-D1056 WeakPolarHBondContact CB-OD1 3.44Å; T761-D1056 WeakPolarHBondContact CG2-OD1 3.49Å; T761-D1056 PolarHBondContact OG1-OD1 3.25Å
762	Y	91.7	Very high	93.5	Very high	45 Å²	45	34.1 Å²	34.1	18%	0.176	18%	0.178	C	C	.	.			trans	-64.4	129	174.1	-175.9	-115.1	0	0	0	110.9	I759 K841 L842 Y1012 Y1013	I759-Y762 WeakPolarHBondContact O-CB 3.44Å; I759-Y762 PolarHBondContact O-N 3.41Å; Y762-K841 HydrophobicContact CD1-CB 4.46Å; Y762-K841 HydrophobicContact CD1-CD 4.19Å; Y762-K841 HydrophobicContact CD2-CD 3.89Å; Y762-K841 HydrophobicContact CE1-CB 4.23Å; Y762-K841 HydrophobicContact CE1-CD 4.1Å; Y762-K841 HydrophobicContact CE1-CG 4.31Å; Y762-K841 HydrophobicContact CE2-CD 3.82Å; Y762-K841 HydrophobicContact CG-CD 4.08Å; Y762-L842 HydrophobicContact CD1-CD1 4.29Å; Y762-Y1012 CarbonylContact O-C 3.52Å; Y762-Y1013 AromaticContact CD1-CD2 3.74Å; Y762-Y1013 HydrophobicContact CD1-CD2 3.74Å; Y762-Y1013 HydrophobicContact CD1-CE2 4.35Å; Y762-Y1013 AromaticContact CE1-CD2 3.81Å; Y762-Y1013 HydrophobicContact CE1-CD2 3.81Å; Y762-Y1013 AromaticContact CE1-CE2 3.97Å; Y762-Y1013 HydrophobicContact CE1-CE2 3.97Å; Y762-Y1013 WeakPolarHBondContact O-CA 3.41Å; Y762-Y1013 PolarHBondContact O-N 3.4Å
763	R	93.3	Very high	93.5	Very high	47 Å²	47	35.8 Å²	35.8	18%	0.177	19%	0.189	C	C	.	.			trans	-118.9	155.9	-177.6	-75	-176.2	68.1	175.5	-2	110.9	T761 T765 Y1012 E1016 L1019 D1023	T761-R763 PolarHBondContact O-N 2.98Å; R763-T765 WeakPolarHBondContact CB-O 3.46Å; R763-Y1012 HydrophobicContact CG-CD2 4.28Å; R763-E1016 WeakPolarHBondContact CB-OE2 3.17Å; R763-E1016 IonicContact CZ-OE1 2.69Å; R763-E1016 IonicContact NE-OE1 3.07Å; R763-E1016 PolarHBondContact NE-OE1 2.8Å; R763-E1016 IonicContact NE-OE2 3.42Å; R763-E1016 IonicContact NH2-OE1 3.52Å; R763-E1016 PolarHBondContact NH2-OE1 3.3Å; R763-L1019 HydrophobicContact CG-CD1 4.01Å; R763-D1023 IonicContact CZ-OD2 2.98Å; R763-D1023 IonicContact NH1-OD2 3.13Å; R763-D1023 PolarHBondContact NH1-OD2 3.31Å; R763-D1023 IonicContact NH2-OD2 3.12Å; R763-D1023 PolarHBondContact NH2-OD2 3.33Å
764	K	90.4	Very high	93.5	Very high	48 Å²	48	35.7 Å²	35.7	21%	0.209	19%	0.189	C	C	.	.	S	Bend	trans	-78.7	-34.8	174.2	-68.7	179.7	176.5	-179.1	0	111.7	Y1013 E1016	K764-Y1013 HydrophobicContact CD-CD2 4.47Å; K764-Y1013 HydrophobicContact CD-CE2 4.11Å; K764-Y1013 WeakPolarHBondContact CE-OH 3.21Å; K764-Y1013 HydrophobicContact CG-CD2 3.67Å; K764-Y1013 HydrophobicContact CG-CE2 3.47Å; K764-Y1013 VanDerWaalsContact CG-CE2 3.47Å; K764-Y1013 HydrophobicContact CG-CG 4.43Å; K764-E1016 HydrophobicContact CB-CG 4.12Å; K764-E1016 PolarHBondContact N-OE2 2.86Å
765	T	91.9	Very high	93.6	Very high	9 Å²	9	36.7 Å²	36.7	6%	0.055	19%	0.194	C	C	.	.	S	Bend	trans	-107.3	150.5	177.4	79.8	0	0	0	0	111.2	R763 Q826 E1016	R763-T765 WeakPolarHBondContact CB-O 3.46Å; T765-Q826 HydrophobicContact CG2-CB 4.05Å; T765-E1016 WeakPolarHBondContact CB-OE1 3.46Å; T765-E1016 HydrophobicContact CG2-CG 3.95Å; T765-E1016 PolarHBondContact N-OE2 3.15Å; T765-E1016 PolarHBondContact OG1-OE1 2.94Å
766	S	92.8	Very high	93.7	Very high	45 Å²	45	38.6 Å²	38.6	32%	0.315	21%	0.205	S	C	.	.			trans	-99.5	117.1	174.5	176.6	0	0	0	0	110	L768 I769 T770 Q826	S766-L768 VanDerWaalsContact C-N 3.3Å; S766-L768 PolarHBondContact O-N 3.33Å; S766-I769 PolarHBondContact O-N 3.06Å; S766-I769 PolarHBondContact OG-N 2.76Å; S766-T770 PolarHBondContact O-N 3.18Å; S766-T770 PolarHBondContact O-OG1 3.02Å; S766-Q826 PolarHBondContact O-OE1 3.11Å
767	C	92.1	Very high	93.7	Very high	27 Å²	27	40.6 Å²	40.6	18%	0.182	22%	0.216	C	C	.	.	H	α-helix	trans	-59.1	-42.1	176.2	-177.5	0	0	0	0	111.4	I769 T770 I771	C767-I769 PolarHBondContact O-N 2.98Å; C767-T770 PolarHBondContact O-N 2.9Å; C767-I771 WeakPolarHBondContact O-CG1 3.31Å; C767-I771 PolarHBondContact O-N 2.65Å; C767-I771 VanDerWaalsContact SG-CD1 3.55Å
768	L	93.6	Very high	93.7	Very high	104 Å²	104	40.1 Å²	40.1	55%	0.545	21%	0.213	S	C	.	.	H	α-helix	trans	-63	-42.7	179	-68.3	176.2	0	0	0	112.9	S766 S772 I1045	S766-L768 VanDerWaalsContact C-N 3.3Å; S766-L768 PolarHBondContact O-N 3.33Å; L768-S772 VanDerWaalsContact O-CB 3.26Å; L768-S772 WeakPolarHBondContact O-CB 3.24Å; L768-S772 PolarHBondContact O-N 2.95Å; L768-S772 PolarHBondContact O-OG 2.97Å; L768-I1045 HydrophobicContact CD2-CD1 3.76Å; L768-I1045 HydrophobicContact CD2-CG1 3.94Å; L768-I1045 HydrophobicContact CD2-CG2 4.32Å
769	I	94.6	Very high	93.6	Very high	92 Å²	92	39.1 Å²	39.1	47%	0.472	21%	0.208	S	C	.	.	H	α-helix	trans	-65.5	-44.2	177.2	-64.2	177	0	0	0	109.8	S766 C767 S772 C773	S766-I769 PolarHBondContact O-N 3.06Å; S766-I769 PolarHBondContact OG-N 2.76Å; C767-I769 PolarHBondContact O-N 2.98Å; I769-S772 PolarHBondContact O-N 3.07Å; I769-C773 WeakPolarHBondContact O-CB 3.3Å; I769-C773 PolarHBondContact O-N 2.72Å; I769-C773 PolarHBondContact O-SG 3.42Å
770	T	95.5	Very high	93.4	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.025	24%	0.239	C	C	.	.	H	α-helix	trans	-59	-51.3	179	-53.9	0	0	0	0	111.3	S766 C767 S772 C773 V774 F819 I822 Q826 F1020	S766-T770 PolarHBondContact O-N 3.18Å; S766-T770 PolarHBondContact O-OG1 3.02Å; C767-T770 PolarHBondContact O-N 2.9Å; T770-S772 PolarHBondContact O-N 3.33Å; T770-C773 PolarHBondContact O-N 3.25Å; T770-V774 VanDerWaalsContact O-CG2 3.28Å; T770-V774 WeakPolarHBondContact O-CG2 3.44Å; T770-V774 PolarHBondContact O-N 3.26Å; T770-F819 HydrophobicContact CG2-CD1 3.77Å; T770-F819 HydrophobicContact CG2-CE1 3.85Å; T770-F819 HydrophobicContact CG2-CG 4.39Å; T770-I822 HydrophobicContact CG2-CG2 4.27Å; T770-Q826 PolarHBondContact OG1-NE2 2.9Å; T770-F1020 HydrophobicContact CG2-CE2 4.14Å
771	I	95.4	Very high	93.2	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.015	26%	0.26	C	S	.	.	H	α-helix	trans	-63.2	-43.2	179	-68.1	171.8	0	0	0	111.2	C767 C773 V774 L775 A1041 V1044 I1045	C767-I771 WeakPolarHBondContact O-CG1 3.31Å; C767-I771 PolarHBondContact O-N 2.65Å; C767-I771 VanDerWaalsContact SG-CD1 3.55Å; I771-C773 VanDerWaalsContact C-N 3.33Å; I771-C773 PolarHBondContact O-N 3.23Å; I771-V774 PolarHBondContact O-N 3.19Å; I771-L775 HydrophobicContact CG2-CD1 4.21Å; I771-L775 HydrophobicContact CG2-CG 4.42Å; I771-L775 WeakPolarHBondContact O-CG 3.47Å; I771-L775 PolarHBondContact O-N 3.32Å; I771-A1041 HydrophobicContact CG2-CB 3.41Å; I771-A1041 VanDerWaalsContact CG2-CB 3.41Å; I771-V1044 HydrophobicContact CD1-CB 3.86Å; I771-V1044 HydrophobicContact CD1-CG1 3.64Å; I771-I1045 HydrophobicContact CD1-CD1 4.25Å; I771-I1045 HydrophobicContact CD1-CG1 3.6Å; I771-I1045 HydrophobicContact CG2-CD1 4.48Å
772	S	95.6	Very high	93	Very high	59 Å²	59	47 Å²	47	41%	0.413	25%	0.254	S	S	.	.	H	α-helix	trans	-60.9	-43	177.7	-59	0	0	0	0	111.4	L768 I769 T770 L775 I776	L768-S772 VanDerWaalsContact O-CB 3.26Å; L768-S772 WeakPolarHBondContact O-CB 3.24Å; L768-S772 PolarHBondContact O-N 2.95Å; L768-S772 PolarHBondContact O-OG 2.97Å; I769-S772 PolarHBondContact O-N 3.07Å; T770-S772 PolarHBondContact O-N 3.33Å; S772-L775 PolarHBondContact O-N 3.25Å; S772-I776 WeakPolarHBondContact O-CB 3.44Å; S772-I776 WeakPolarHBondContact O-CD1 3.33Å; S772-I776 WeakPolarHBondContact O-CG1 3.41Å; S772-I776 PolarHBondContact O-N 2.84Å
773	C	95.5	Very high	92.9	Very high	34 Å²	34	46.4 Å²	46.4	23%	0.23	25%	0.254	C	S	.	.	H	α-helix	trans	-63.3	-42.6	175.4	-67.8	0	0	0	0	111.7	I769 T770 I771 I776 L777 I822	I769-C773 WeakPolarHBondContact O-CB 3.3Å; I769-C773 PolarHBondContact O-N 2.72Å; I769-C773 PolarHBondContact O-SG 3.42Å; T770-C773 PolarHBondContact O-N 3.25Å; I771-C773 VanDerWaalsContact C-N 3.33Å; I771-C773 PolarHBondContact O-N 3.23Å; C773-I776 PolarHBondContact O-N 3.4Å; C773-L777 VanDerWaalsContact O-CB 3.26Å; C773-L777 WeakPolarHBondContact O-CB 3.29Å; C773-L777 WeakPolarHBondContact O-CD1 3.47Å; C773-L777 VanDerWaalsContact O-CG 3.29Å; C773-L777 WeakPolarHBondContact O-CG 3.48Å; C773-L777 PolarHBondContact O-N 2.98Å; C773-I822 HydrophobicContact CB-CD1 4.06Å; C773-I822 HydrophobicContact CB-CG1 4.02Å; C773-I822 HydrophobicContact CB-CG2 4.25Å
774	V	95.5	Very high	92.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.3	-46.1	176.3	171.8	0	0	0	0	110.8	T770 I771 L777 M778 I818 F819 F1027	T770-V774 VanDerWaalsContact O-CG2 3.28Å; T770-V774 WeakPolarHBondContact O-CG2 3.44Å; T770-V774 PolarHBondContact O-N 3.26Å; I771-V774 PolarHBondContact O-N 3.19Å; V774-L777 PolarHBondContact O-N 2.98Å; V774-M778 HydrophobicContact CG1-CG 4.21Å; V774-M778 WeakPolarHBondContact O-CB 3.45Å; V774-M778 VanDerWaalsContact O-CG 3.28Å; V774-M778 WeakPolarHBondContact O-CG 3.48Å; V774-M778 PolarHBondContact O-N 2.95Å; V774-I818 HydrophobicContact CB-CG2 4.43Å; V774-I818 HydrophobicContact CG2-CB 4.46Å; V774-I818 HydrophobicContact CG2-CG2 3.71Å; V774-F819 HydrophobicContact CB-CE2 4.41Å; V774-F819 HydrophobicContact CG1-CE2 4.22Å; V774-F819 HydrophobicContact CG2-CD2 3.63Å; V774-F819 HydrophobicContact CG2-CE2 3.6Å; V774-F819 HydrophobicContact CG2-CG 4.4Å; V774-F819 HydrophobicContact CG2-CZ 4.32Å; V774-F1027 HydrophobicContact CG1-CE1 4.03Å; V774-F1027 HydrophobicContact CG1-CE2 4.33Å; V774-F1027 HydrophobicContact CG1-CZ 3.71Å
775	L	95.3	Very high	92.7	Very high	39 Å²	39	45.5 Å²	45.5	20%	0.204	25%	0.253	C	S	.	.	H	α-helix	trans	-64.6	-43.8	177.2	-68.2	178.3	0	0	0	112.3	I771 S772 Q779 V780 L1037 A1041	I771-L775 HydrophobicContact CG2-CD1 4.21Å; I771-L775 HydrophobicContact CG2-CG 4.42Å; I771-L775 WeakPolarHBondContact O-CG 3.47Å; I771-L775 PolarHBondContact O-N 3.32Å; S772-L775 PolarHBondContact O-N 3.25Å; L775-Q779 WeakPolarHBondContact O-CA 3.45Å; L775-Q779 VanDerWaalsContact O-CB 3.26Å; L775-Q779 WeakPolarHBondContact O-CB 3.48Å; L775-Q779 PolarHBondContact O-N 2.85Å; L775-V780 PolarHBondContact O-N 3.28Å; L775-L1037 HydrophobicContact CD2-CB 3.83Å; L775-A1041 HydrophobicContact CD1-CB 3.87Å; L775-A1041 HydrophobicContact CD2-CB 4.26Å; L775-A1041 HydrophobicContact CG-CB 4.34Å
776	I	95.3	Very high	92.5	Very high	88 Å²	88	47.1 Å²	47.1	45%	0.451	26%	0.262	S	S	.	.	I	π-helix	trans	-62.8	-47.1	177.8	-69.3	165	0	0	0	110.5	S772 C773 V780 I781	S772-I776 WeakPolarHBondContact O-CB 3.44Å; S772-I776 WeakPolarHBondContact O-CD1 3.33Å; S772-I776 WeakPolarHBondContact O-CG1 3.41Å; S772-I776 PolarHBondContact O-N 2.84Å; C773-I776 PolarHBondContact O-N 3.4Å; I776-V780 HydrophobicContact CG2-CB 4.41Å; I776-V780 CarbonylContact O-C 3.09Å; I776-V780 WeakPolarHBondContact O-CA 3.23Å; I776-V780 VanDerWaalsContact O-CB 3.28Å; I776-V780 WeakPolarHBondContact O-CB 3.49Å; I776-V780 PolarHBondContact O-N 3.42Å; I776-V780 VanDerWaalsContact O-N 3.11Å; I776-I781 HydrophobicContact CG2-CD1 4.31Å; I776-I781 PolarHBondContact O-N 2.79Å
777	L	94.8	Very high	92.4	Very high	47 Å²	47	45 Å²	45	25%	0.246	25%	0.247	C	C	.	.	I	π-helix	trans	-69.3	-45.3	-178.4	-73.3	165.5	0	0	0	112.1	C773 V774 I781 L783 I818 I822	C773-L777 VanDerWaalsContact O-CB 3.26Å; C773-L777 WeakPolarHBondContact O-CB 3.29Å; C773-L777 WeakPolarHBondContact O-CD1 3.47Å; C773-L777 VanDerWaalsContact O-CG 3.29Å; C773-L777 WeakPolarHBondContact O-CG 3.48Å; C773-L777 PolarHBondContact O-N 2.98Å; V774-L777 PolarHBondContact O-N 2.98Å; L777-I781 HydrophobicContact CD2-CD1 3.6Å; L777-I781 HydrophobicContact CG-CD1 4.4Å; L777-L783 HydrophobicContact CB-CD1 4.02Å; L777-L783 HydrophobicContact CD2-CD1 4.26Å; L777-L783 VanDerWaalsContact O-CB 3.26Å; L777-L783 WeakPolarHBondContact O-CB 3.36Å; L777-L783 WeakPolarHBondContact O-CG 3.33Å; L777-L783 PolarHBondContact O-N 3.38Å; L777-I818 HydrophobicContact CB-CD1 3.93Å; L777-I818 HydrophobicContact CD1-CG1 4.33Å; L777-I818 HydrophobicContact CD1-CG2 3.53Å; L777-I822 HydrophobicContact CD1-CD1 4.5Å
778	M	93.5	Very high	92.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.242	C	C	.	.	I	π-helix	trans	-74.1	-51.2	-177.9	-69.1	-66.5	-70	0	0	112.3	V774 G782 L783 E784 R811 L814 I815 I818 L1037	V774-M778 HydrophobicContact CG1-CG 4.21Å; V774-M778 WeakPolarHBondContact O-CB 3.45Å; V774-M778 VanDerWaalsContact O-CG 3.28Å; V774-M778 WeakPolarHBondContact O-CG 3.48Å; V774-M778 PolarHBondContact O-N 2.95Å; M778-G782 CarbonylContact O-C 3.55Å; M778-G782 WeakPolarHBondContact O-CA 3.46Å; M778-G782 PolarHBondContact O-N 3.45Å; M778-L783 PolarHBondContact O-N 2.99Å; M778-L783 VanDerWaalsContact O-N 3.16Å; M778-L783 HydrophobicContact SD-CB 4.29Å; M778-E784 HydrophobicContact CE-CB 4.08Å; M778-E784 WeakPolarHBondContact O-CB 3.24Å; M778-E784 WeakPolarHBondContact O-CG 3.32Å; M778-E784 PolarHBondContact O-N 3.38Å; M778-R811 HydrophobicContact CE-CG 4.44Å; M778-L814 HydrophobicContact CE-CB 4.18Å; M778-L814 HydrophobicContact CE-CD1 4.44Å; M778-L814 HydrophobicContact SD-CB 3.85Å; M778-I815 HydrophobicContact CE-CG1 4.06Å; M778-I818 HydrophobicContact CG-CD1 3.78Å; M778-I818 HydrophobicContact SD-CD1 3.59Å; M778-I818 VanDerWaalsContact SD-CD1 3.59Å; M778-L1037 HydrophobicContact CB-CD1 3.57Å; M778-L1037 HydrophobicContact CG-CD1 4.46Å
779	Q	90.1	Very high	92.1	Very high	87 Å²	87	40.1 Å²	40.1	41%	0.407	22%	0.221	S	C	.	.	I	π-helix	trans	-96.5	-42.4	-169.4	-169.2	176.6	0.7	0	0	113.4	L775 L1037	L775-Q779 WeakPolarHBondContact O-CA 3.45Å; L775-Q779 VanDerWaalsContact O-CB 3.26Å; L775-Q779 WeakPolarHBondContact O-CB 3.48Å; L775-Q779 PolarHBondContact O-N 2.85Å; Q779-L1037 HydrophobicContact CB-CD1 4.39Å
780	V	87.9	Confident	91.6	Very high	115 Å²	115	36.7 Å²	36.7	70%	0.697	20%	0.204	S	C	*	.	I	π-helix	trans	-80.4	-46.4	-175.7	-178.4	0	0	0	0	111.5	L775 I776 G782	L775-V780 PolarHBondContact O-N 3.28Å; I776-V780 HydrophobicContact CG2-CB 4.41Å; I776-V780 CarbonylContact O-C 3.09Å; I776-V780 WeakPolarHBondContact O-CA 3.23Å; I776-V780 VanDerWaalsContact O-CB 3.28Å; I776-V780 WeakPolarHBondContact O-CB 3.49Å; I776-V780 PolarHBondContact O-N 3.42Å; I776-V780 VanDerWaalsContact O-N 3.11Å; V780-G782 VanDerWaalsContact C-N 3.28Å
781	I	90	Very high	90.6	Very high	86 Å²	86	36.6 Å²	36.6	44%	0.441	20%	0.204	S	C	.	.	S	Bend	trans	-75.4	-23.4	174.7	-69.4	165.4	0	0	0	110.8	I776 L777 L783 I795	I776-I781 HydrophobicContact CG2-CD1 4.31Å; I776-I781 PolarHBondContact O-N 2.79Å; L777-I781 HydrophobicContact CD2-CD1 3.6Å; L777-I781 HydrophobicContact CG-CD1 4.4Å; I781-L783 HydrophobicContact CG2-CD2 4.35Å; I781-L783 HydrophobicContact CG2-CG 4.15Å; I781-I795 WeakPolarHBondContact O-CG2 3.33Å
782	G	87.8	Confident	89.6	Confident	7 Å²	7	42.3 Å²	42.3	7%	0.072	23%	0.228	C	C	.	.			trans	82.2	26.6	178.2	0	0	0	0	0	113.8	M778 V780 E784 N785	M778-G782 CarbonylContact O-C 3.55Å; M778-G782 WeakPolarHBondContact O-CA 3.46Å; M778-G782 PolarHBondContact O-N 3.45Å; V780-G782 VanDerWaalsContact C-N 3.28Å; G782-E784 PolarHBondContact O-N 3Å; G782-N785 VanDerWaalsContact O-CB 3.32Å; G782-N785 WeakPolarHBondContact O-CB 3.38Å; G782-N785 PolarHBondContact O-N 3.31Å; G782-N785 PolarHBondContact O-ND2 3.41Å
783	L	90.9	Very high	88.6	Confident	34 Å²	34	40.9 Å²	40.9	18%	0.178	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-62	-20.7	172.7	-65.3	-179.9	0	0	0	112.2	L777 M778 I781 N785 L786 I795 L814 I818	L777-L783 HydrophobicContact CB-CD1 4.02Å; L777-L783 HydrophobicContact CD2-CD1 4.26Å; L777-L783 VanDerWaalsContact O-CB 3.26Å; L777-L783 WeakPolarHBondContact O-CB 3.36Å; L777-L783 WeakPolarHBondContact O-CG 3.33Å; L777-L783 PolarHBondContact O-N 3.38Å; M778-L783 PolarHBondContact O-N 2.99Å; M778-L783 VanDerWaalsContact O-N 3.16Å; M778-L783 HydrophobicContact SD-CB 4.29Å; I781-L783 HydrophobicContact CG2-CD2 4.35Å; I781-L783 HydrophobicContact CG2-CG 4.15Å; L783-N785 PolarHBondContact O-N 3.5Å; L783-N785 VanDerWaalsContact O-N 3.16Å; L783-L786 HydrophobicContact CD2-CD1 3.7Å; L783-L786 VanDerWaalsContact O-CB 3.29Å; L783-L786 WeakPolarHBondContact O-CB 3.48Å; L783-L786 PolarHBondContact O-N 2.91Å; L783-I795 HydrophobicContact CD2-CD1 4.37Å; L783-L814 WeakPolarHBondContact O-CD1 3.49Å; L783-I818 HydrophobicContact CD1-CD1 4.17Å
784	E	89.1	Confident	87.6	Confident	45 Å²	45	44.8 Å²	44.8	21%	0.21	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-57	-26.7	171.5	70.7	-176.9	164.7	0	0	113.2	M778 G782 L786 A787	M778-E784 HydrophobicContact CE-CB 4.08Å; M778-E784 WeakPolarHBondContact O-CB 3.24Å; M778-E784 WeakPolarHBondContact O-CG 3.32Å; M778-E784 PolarHBondContact O-N 3.38Å; G782-E784 PolarHBondContact O-N 3Å; E784-L786 PolarHBondContact O-N 3.24Å; E784-A787 WeakPolarHBondContact O-CA 3.22Å; E784-A787 WeakPolarHBondContact O-CB 3.36Å; E784-A787 PolarHBondContact O-N 3.42Å
785	N	88.6	Confident	86.7	Confident	30 Å²	30	48.5 Å²	48.5	16%	0.16	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-69.3	-24.5	177.5	-60.7	-31.3	0	0	0	112.2	G782 L783 A787 S788 I795 L797	G782-N785 VanDerWaalsContact O-CB 3.32Å; G782-N785 WeakPolarHBondContact O-CB 3.38Å; G782-N785 PolarHBondContact O-N 3.31Å; G782-N785 PolarHBondContact O-ND2 3.41Å; L783-N785 PolarHBondContact O-N 3.5Å; L783-N785 VanDerWaalsContact O-N 3.16Å; N785-A787 PolarHBondContact O-N 3.23Å; N785-S788 WeakPolarHBondContact O-CB 3.38Å; N785-S788 PolarHBondContact O-N 2.92Å; N785-S788 VanDerWaalsContact O-N 3.16Å; N785-I795 PolarHBondContact ND2-O 3.36Å; N785-L797 HydrophobicContact CB-CD2 4.14Å; N785-L797 HydrophobicContact CB-CG 4.26Å; N785-L797 VanDerWaalsContact OD1-CD1 3.28Å; N785-L797 WeakPolarHBondContact OD1-CD1 3.49Å
786	L	88.9	Confident	85.8	Confident	44 Å²	44	54 Å²	54	23%	0.23	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-68.2	-20.2	171	-61.1	174.5	0	0	0	112	K627 L783 E784 S788 I795 L814	K627-L786 WeakPolarHBondContact CE-O 3.47Å; K627-L786 PolarHBondContact NZ-O 2.9Å; L783-L786 HydrophobicContact CD2-CD1 3.7Å; L783-L786 VanDerWaalsContact O-CB 3.29Å; L783-L786 WeakPolarHBondContact O-CB 3.48Å; L783-L786 PolarHBondContact O-N 2.91Å; E784-L786 PolarHBondContact O-N 3.24Å; L786-S788 PolarHBondContact O-N 2.91Å; L786-I795 HydrophobicContact CD1-CG1 4.47Å; L786-I795 HydrophobicContact CD2-CG1 4.11Å; L786-I795 HydrophobicContact CG-CG1 4.31Å; L786-L814 HydrophobicContact CB-CD1 4.09Å
787	A	91	Very high	84.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-76.1	-0.8	173.5	0	0	0	0	0	113.4	E784 N785 S789 Q806 S807 F810 R811 L814	E784-A787 WeakPolarHBondContact O-CA 3.22Å; E784-A787 WeakPolarHBondContact O-CB 3.36Å; E784-A787 PolarHBondContact O-N 3.42Å; N785-A787 PolarHBondContact O-N 3.23Å; A787-S789 PolarHBondContact O-N 3.47Å; A787-Q806 HydrophobicContact CB-CB 4.4Å; A787-Q806 HydrophobicContact CB-CG 4.44Å; A787-Q806 CarbonylContact O-C 3.52Å; A787-Q806 WeakPolarHBondContact O-CA 3.47Å; A787-S807 PolarHBondContact O-N 3.06Å; A787-F810 HydrophobicContact CB-CB 4.04Å; A787-R811 HydrophobicContact CB-CB 4.07Å; A787-L814 HydrophobicContact CB-CD1 4.09Å
788	S	89.8	Confident	84	Confident	13 Å²	13	55 Å²	55	9%	0.091	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-50.6	140.9	172.4	173.9	0	0	0	0	110.8	K627 N785 L786 D790 F810	K627-S788 PolarHBondContact NZ-O 3.17Å; N785-S788 WeakPolarHBondContact O-CB 3.38Å; N785-S788 PolarHBondContact O-N 2.92Å; N785-S788 VanDerWaalsContact O-N 3.16Å; L786-S788 PolarHBondContact O-N 2.91Å; S788-D790 PolarHBondContact O-N 3.3Å; S788-D790 WeakPolarHBondContact OG-CB 3.27Å; S788-D790 VanDerWaalsContact OG-CG 3.3Å; S788-D790 PolarHBondContact OG-N 3.47Å; S788-D790 VanDerWaalsContact OG-N 3.15Å; S788-D790 PolarHBondContact OG-OD2 3.49Å; S788-F810 WeakPolarHBondContact O-CD2 3.49Å
789	S	88.1	Confident	83.3	Confident	15 Å²	15	58.9 Å²	58.9	11%	0.105	32%	0.318	C	S	.	.	S	Bend	trans	-66.5	-10.3	174.5	-58.3	0	0	0	0	113.4	Y626 A787 P805	Y626-S789 WeakPolarHBondContact CE1-O 3.46Å; Y626-S789 PolarHBondContact OH-O 3.13Å; A787-S789 PolarHBondContact O-N 3.47Å; S789-P805 WeakPolarHBondContact CB-O 3.3Å; S789-P805 PolarHBondContact N-O 3.22Å; S789-P805 PolarHBondContact OG-O 2.95Å
790	D	84.5	Confident	82.8	Confident	20 Å²	20	62.7 Å²	62.7	11%	0.107	33%	0.33	C	S	.	.	S	Bend	trans	-64.9	141.4	174.8	-61.3	-37.4	0	0	0	111.6	T375 K627 S788 K792 S804	T375-D790 WeakPolarHBondContact CA-OD1 3.2Å; T375-D790 WeakPolarHBondContact CG2-OD1 3.43Å; K627-D790 WeakPolarHBondContact CE-O 3.39Å; K627-D790 PolarHBondContact NZ-O 3.1Å; S788-D790 PolarHBondContact O-N 3.3Å; S788-D790 WeakPolarHBondContact OG-CB 3.27Å; S788-D790 VanDerWaalsContact OG-CG 3.3Å; S788-D790 PolarHBondContact OG-N 3.47Å; S788-D790 VanDerWaalsContact OG-N 3.15Å; S788-D790 PolarHBondContact OG-OD2 3.49Å; D790-K792 VanDerWaalsContact C-N 3.27Å; D790-K792 WeakPolarHBondContact CB-O 3.3Å; D790-K792 PolarHBondContact O-N 2.89Å; D790-S804 VanDerWaalsContact CG-CB 3.48Å; D790-S804 WeakPolarHBondContact OD1-CB 3.33Å; D790-S804 PolarHBondContact OD1-OG 3.49Å; D790-S804 WeakPolarHBondContact OD2-CB 3.49Å; D790-S804 PolarHBondContact OD2-OG 2.87Å
791	A	74.5	Confident	82.6	Confident	3 Å²	3	61.8 Å²	61.8	3%	0.025	32%	0.318	C	S	.	.	S	Bend	trans	-63.5	-32.5	174.8	0	0	0	0	0	112.5	P328 A374 Y626 K627	P328-A791 HydrophobicContact CB-CB 3.71Å; P328-A791 HydrophobicContact CG-CB 3.74Å; A374-A791 HydrophobicContact CB-CB 4Å; Y626-A791 HydrophobicContact CE1-CB 4.05Å; K627-A791 WeakPolarHBondContact CA-O 3.41Å; K627-A791 WeakPolarHBondContact CD-O 3.26Å
792	K	75	Confident	82.4	Confident	122 Å²	122	59.8 Å²	59.8	53%	0.53	31%	0.305	S	S	.	.	S	Bend	trans	-112.8	127.5	169.7	-67.2	-170.6	-174.8	172.1	0	110	P328 D790	P328-K792 HydrophobicContact CB-CG 4.33Å; D790-K792 VanDerWaalsContact C-N 3.27Å; D790-K792 WeakPolarHBondContact CB-O 3.3Å; D790-K792 PolarHBondContact O-N 2.89Å
793	S	74.2	Confident	82.2	Confident	30 Å²	30	63.1 Å²	63.1	21%	0.21	32%	0.319	C	S	.	.			trans	-133.2	138.1	178.2	50	0	0	0	0	109.9	K627	K627-S793 PolarHBondContact NZ-OG 3.26Å
794	N	75.4	Confident	82	Confident	115 Å²	115	61.9 Å²	61.9	62%	0.615	31%	0.313	S	S	*	.			trans	-102.6	152.6	173	-65.1	-39.9	0	0	0	109.7
795	I	76.2	Confident	82	Confident	79 Å²	79	62.8 Å²	62.8	41%	0.405	32%	0.323	S	S	.	.	S	Bend	trans	-69.9	-41	174.9	-61	173.7	0	0	0	110.1	I781 L783 N785 L786	I781-I795 WeakPolarHBondContact O-CG2 3.33Å; L783-I795 HydrophobicContact CD2-CD1 4.37Å; N785-I795 PolarHBondContact ND2-O 3.36Å; L786-I795 HydrophobicContact CD1-CG1 4.47Å; L786-I795 HydrophobicContact CD2-CG1 4.11Å; L786-I795 HydrophobicContact CG-CG1 4.31Å
796	L	75.4	Confident	82	Confident	155 Å²	155	64.2 Å²	64.2	81%	0.812	33%	0.329	S	S	*	.	S	Bend	trans	-88.1	123.1	175.9	-71.5	139.1	0	0	0	110
797	L	75.4	Confident	82.2	Confident	91 Å²	91	62.5 Å²	62.5	48%	0.476	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-92.6	137.2	176.4	-64.5	179.7	0	0	0	111	N785	N785-L797 HydrophobicContact CB-CD2 4.14Å; N785-L797 HydrophobicContact CB-CG 4.26Å; N785-L797 VanDerWaalsContact OD1-CD1 3.28Å; N785-L797 WeakPolarHBondContact OD1-CD1 3.49Å
798	N	78.5	Confident	82.3	Confident	65 Å²	65	65 Å²	65	35%	0.348	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-96.2	123.7	169.9	-178.9	4.7	0	0	0	109.8	Y800 E801 H803	N798-Y800 PolarHBondContact O-N 3.28Å; N798-Y800 VanDerWaalsContact O-N 3.11Å; N798-Y800 WeakPolarHBondContact OD1-CD2 3.33Å; N798-Y800 PolarHBondContact OD1-N 3.15Å; N798-E801 HydrophobicContact CB-CB 4.37Å; N798-E801 HydrophobicContact CB-CG 4.18Å; N798-E801 PolarHBondContact ND2-OE1 2.88Å; N798-E801 PolarHBondContact O-N 3.44Å; N798-H803 PolarHBondContact O-CE1 3.28Å; N798-H803 PolarHBondContact O-NE2 3.45Å
799	S	77.6	Confident	82.5	Confident	80 Å²	80	64.6 Å²	64.6	56%	0.559	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.9	-176.5	56.4	0	0	0	0	114.2	R366	R366-S799 PolarHBondContact NH2-O 3.44Å
800	Y	79.9	Confident	82.8	Confident	167 Å²	167	63.9 Å²	63.9	66%	0.655	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-8.5	178.6	-60.1	-73.1	0	0	0	114.1	S365 N798	S365-Y800 PolarHBondContact OG-O 2.98Å; N798-Y800 PolarHBondContact O-N 3.28Å; N798-Y800 VanDerWaalsContact O-N 3.11Å; N798-Y800 WeakPolarHBondContact OD1-CD2 3.33Å; N798-Y800 PolarHBondContact OD1-N 3.15Å
801	E	83.4	Confident	83.3	Confident	97 Å²	97	63.5 Å²	63.5	45%	0.453	32%	0.319	S	S	.	.	S	Bend	trans	-92.9	161.9	177.3	-74.3	168.2	-150.3	0	0	110.9	R366 N798	R366-E801 PolarHBondContact NE-O 2.81Å; N798-E801 HydrophobicContact CB-CB 4.37Å; N798-E801 HydrophobicContact CB-CG 4.18Å; N798-E801 PolarHBondContact ND2-OE1 2.88Å; N798-E801 PolarHBondContact O-N 3.44Å
802	Y	86.3	Confident	84.3	Confident	44 Å²	44	63.3 Å²	63.3	17%	0.173	32%	0.317	C	S	.	.			trans	-80.9	140.1	171.3	179.3	-100.8	0	0	0	109.3	A369 T375 Y377 R378 S804	A369-Y802 HydrophobicContact CB-CD1 4.29Å; A369-Y802 HydrophobicContact CB-CG 4.12Å; T375-Y802 HydrophobicContact CG2-CD1 4.17Å; T375-Y802 HydrophobicContact CG2-CE1 4.48Å; Y377-Y802 AromaticContact CD2-CD1 3.66Å; Y377-Y802 HydrophobicContact CD2-CD1 3.66Å; Y377-Y802 AromaticContact CD2-CD2 3.88Å; Y377-Y802 HydrophobicContact CD2-CD2 3.88Å; Y377-Y802 AromaticContact CD2-CE1 3.59Å; Y377-Y802 HydrophobicContact CD2-CE1 3.59Å; Y377-Y802 AromaticContact CD2-CE2 3.81Å; Y377-Y802 HydrophobicContact CD2-CE2 3.81Å; Y377-Y802 AromaticContact CD2-CG 3.81Å; Y377-Y802 HydrophobicContact CD2-CG 3.81Å; Y377-Y802 AromaticContact CD2-CZ 3.69Å; Y377-Y802 HydrophobicContact CE2-CD1 4.09Å; Y377-Y802 AromaticContact CE2-CD2 3.5Å; Y377-Y802 HydrophobicContact CE2-CD2 3.5Å; Y377-Y802 HydrophobicContact CE2-CE1 4.24Å; Y377-Y802 AromaticContact CE2-CE2 3.68Å; Y377-Y802 HydrophobicContact CE2-CE2 3.68Å; Y377-Y802 AromaticContact CE2-CG 3.73Å; Y377-Y802 HydrophobicContact CE2-CG 3.73Å; Y377-Y802 HydrophobicContact CG-CE1 4.29Å; R378-Y802 PolarHBondContact N-OH 3.35Å; R378-Y802 WeakPolarHBondContact O-CE2 3.17Å; R378-Y802 PolarHBondContact O-OH 3.44Å; Y802-S804 WeakPolarHBondContact CE1-OG 3.4Å
803	H	84.1	Confident	85.3	Confident	76 Å²	76	57.5 Å²	57.5	35%	0.352	29%	0.292	S	S	.	.			trans	-116.5	114.4	175.6	-58.8	-37.9	0	0	0	109	N798	N798-H803 PolarHBondContact O-CE1 3.28Å; N798-H803 PolarHBondContact O-NE2 3.45Å
804	S	86.8	Confident	86.3	Confident	9 Å²	9	57 Å²	57	6%	0.063	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-66.3	152.1	175.6	-65.8	0	0	0	0	111.4	T376 D790 Y802	T376-S804 WeakPolarHBondContact O-CB 3.44Å; T376-S804 PolarHBondContact O-OG 3.47Å; D790-S804 VanDerWaalsContact CG-CB 3.48Å; D790-S804 WeakPolarHBondContact OD1-CB 3.33Å; D790-S804 PolarHBondContact OD1-OG 3.49Å; D790-S804 WeakPolarHBondContact OD2-CB 3.49Å; D790-S804 PolarHBondContact OD2-OG 2.87Å; Y802-S804 WeakPolarHBondContact CE1-OG 3.4Å
805	P	87.8	Confident	87.3	Confident	64 Å²	64	51.5 Å²	51.5	42%	0.416	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-58.4	147.6	175.8	25	-34	0	0	0	111.2	T376 S789	T376-P805 HydrophobicContact CG2-CG 4.28Å; S789-P805 WeakPolarHBondContact CB-O 3.3Å; S789-P805 PolarHBondContact N-O 3.22Å; S789-P805 PolarHBondContact OG-O 2.95Å
806	Q	89.5	Confident	88.3	Confident	59 Å²	59	48 Å²	48	28%	0.276	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-68.3	136.7	175.8	-67.1	178.8	-4.9	0	0	110.8	A787	A787-Q806 HydrophobicContact CB-CB 4.4Å; A787-Q806 HydrophobicContact CB-CG 4.44Å; A787-Q806 CarbonylContact O-C 3.52Å; A787-Q806 WeakPolarHBondContact O-CA 3.47Å
807	S	92.3	Very high	89.3	Confident	9 Å²	9	41.9 Å²	41.9	6%	0.063	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-80.8	125.3	170.5	171.6	0	0	0	0	109.9	A787 I809 F810 R811	A787-S807 PolarHBondContact O-N 3.06Å; S807-I809 PolarHBondContact O-N 3.08Å; S807-I809 PolarHBondContact OG-N 3.34Å; S807-F810 PolarHBondContact O-N 3.39Å; S807-R811 WeakPolarHBondContact O-CB 3.42Å; S807-R811 PolarHBondContact O-N 3.29Å
808	R	93.5	Very high	90.3	Very high	53 Å²	53	38.3 Å²	38.3	20%	0.2	19%	0.191	C	C	.	.	H	α-helix	trans	-60.2	-32	175.6	-67.1	-167.8	-75.1	-179	-3.1	112.1	D640 I812 L1032	D640-R808 IonicContact OD1-CZ 3.72Å; D640-R808 IonicContact OD1-NE 2.67Å; D640-R808 IonicContact OD1-NH2 3.68Å; D640-R808 PolarHBondContact OD1-NH2 2.91Å; D640-R808 WeakPolarHBondContact OD2-CB 3.39Å; D640-R808 IonicContact OD2-CZ 3.34Å; D640-R808 IonicContact OD2-NE 3.42Å; D640-R808 PolarHBondContact OD2-NE 2.89Å; D640-R808 IonicContact OD2-NH2 2.84Å; D640-R808 PolarHBondContact OD2-NH2 3.12Å; R808-I812 WeakPolarHBondContact O-CB 3.16Å; R808-I812 WeakPolarHBondContact O-CG1 3.42Å; R808-I812 PolarHBondContact O-N 3.45Å; R808-L1032 HydrophobicContact CB-CD2 3.86Å; R808-L1032 HydrophobicContact CG-CD2 4.28Å
809	I	94.2	Very high	91.2	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-62.3	-52.1	177.2	-59.5	156.2	0	0	0	110.3	F622 L636 P637 D640 I643 S807 R811 I812 A813	F622-I809 HydrophobicContact CB-CG2 3.96Å; F622-I809 HydrophobicContact CD2-CG2 4.1Å; F622-I809 HydrophobicContact CG-CG2 4.4Å; L636-I809 HydrophobicContact CD2-CD1 3.85Å; P637-I809 HydrophobicContact CG-CD1 4.03Å; D640-I809 HydrophobicContact CB-CD1 4.23Å; D640-I809 HydrophobicContact CB-CG1 4.19Å; I643-I809 HydrophobicContact CD1-CB 3.97Å; I643-I809 HydrophobicContact CD1-CG1 3.4Å; I643-I809 HydrophobicContact CD1-CG2 4.21Å; S807-I809 PolarHBondContact O-N 3.08Å; S807-I809 PolarHBondContact OG-N 3.34Å; I809-R811 VanDerWaalsContact C-N 3.35Å; I809-R811 PolarHBondContact O-N 3.28Å; I809-I812 PolarHBondContact O-N 2.98Å; I809-A813 PolarHBondContact O-N 2.94Å
810	F	94.5	Very high	92	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.4	-38.3	-179.6	-61.2	-25.4	0	0	0	112.1	F622 L623 Y626 L636 A787 S788 S807 I812 A813 L814	F622-F810 HydrophobicContact CB-CE1 3.91Å; F622-F810 WeakPolarHBondContact O-CE1 3.18Å; L623-F810 HydrophobicContact CB-CD1 4.04Å; L623-F810 HydrophobicContact CD1-CB 3.95Å; L623-F810 HydrophobicContact CD1-CD1 4Å; L623-F810 HydrophobicContact CD1-CG 4.01Å; Y626-F810 HydrophobicContact CD1-CE1 4.48Å; Y626-F810 AromaticContact CD1-CE2 3.86Å; Y626-F810 HydrophobicContact CD1-CE2 3.86Å; Y626-F810 AromaticContact CD1-CZ 3.38Å; Y626-F810 HydrophobicContact CD1-CZ 3.38Å; Y626-F810 HydrophobicContact CE1-CE2 4.16Å; Y626-F810 HydrophobicContact CE1-CZ 4.03Å; Y626-F810 AromaticContact CG-CZ 3.76Å; Y626-F810 HydrophobicContact CG-CZ 3.76Å; L636-F810 HydrophobicContact CD1-CE2 4.2Å; L636-F810 HydrophobicContact CD1-CZ 4.18Å; L636-F810 HydrophobicContact CD2-CE1 3.82Å; L636-F810 HydrophobicContact CD2-CE2 4.16Å; L636-F810 HydrophobicContact CD2-CZ 3.52Å; L636-F810 HydrophobicContact CG-CZ 4.1Å; A787-F810 HydrophobicContact CB-CB 4.04Å; S788-F810 WeakPolarHBondContact O-CD2 3.49Å; S807-F810 PolarHBondContact O-N 3.39Å; F810-I812 PolarHBondContact O-N 2.96Å; F810-A813 WeakPolarHBondContact O-CB 3.4Å; F810-A813 PolarHBondContact O-N 2.92Å; F810-L814 WeakPolarHBondContact O-CG 3.45Å; F810-L814 PolarHBondContact O-N 2.87Å
811	R	94.4	Very high	92.8	Very high	11 Å²	11	29.5 Å²	29.5	4%	0.042	16%	0.155	C	C	.	.	H	α-helix	trans	-59.5	-46.5	176.9	-170.8	169.5	171.7	153.3	-4.4	111.4	M778 A787 S807 I809 L814 I815 D1031 Q1035	M778-R811 HydrophobicContact CE-CG 4.44Å; A787-R811 HydrophobicContact CB-CB 4.07Å; S807-R811 WeakPolarHBondContact O-CB 3.42Å; S807-R811 PolarHBondContact O-N 3.29Å; I809-R811 VanDerWaalsContact C-N 3.35Å; I809-R811 PolarHBondContact O-N 3.28Å; R811-L814 PolarHBondContact O-N 2.9Å; R811-I815 HydrophobicContact CG-CD1 3.91Å; R811-I815 WeakPolarHBondContact O-CB 3.45Å; R811-I815 VanDerWaalsContact O-CG1 3.25Å; R811-I815 WeakPolarHBondContact O-CG1 3.3Å; R811-I815 PolarHBondContact O-N 3.22Å; R811-D1031 VanDerWaalsContact CD-OD2 3.3Å; R811-D1031 WeakPolarHBondContact CD-OD2 3.42Å; R811-D1031 WeakPolarHBondContact CG-OD2 3.49Å; R811-D1031 IonicContact CZ-OD1 2.75Å; R811-D1031 VanDerWaalsContact CZ-OD1 3.24Å; R811-D1031 IonicContact CZ-OD2 2.7Å; R811-D1031 VanDerWaalsContact NE-CG 3.29Å; R811-D1031 IonicContact NE-OD1 3.15Å; R811-D1031 PolarHBondContact NE-OD1 2.96Å; R811-D1031 IonicContact NE-OD2 2.78Å; R811-D1031 PolarHBondContact NE-OD2 2.87Å; R811-D1031 IonicContact NH2-OD1 3.3Å; R811-D1031 PolarHBondContact NH2-OD1 2.98Å; R811-D1031 IonicContact NH2-OD2 3.45Å; R811-Q1035 PolarHBondContact NH1-O 3.12Å; R811-Q1035 VanDerWaalsContact NH1-O 3.11Å; R811-Q1035 PolarHBondContact NH2-O 2.98Å
812	I	95.5	Very high	93.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.3	-40.9	174.7	-70.8	-65.6	0	0	0	112.3	I615 I643 I647 R808 I809 F810 L814 I815 L816 C1028 L1032	I615-I812 HydrophobicContact CG2-CG2 4.29Å; I643-I812 HydrophobicContact CG2-CG1 4.33Å; I647-I812 HydrophobicContact CD1-CD1 4.2Å; I647-I812 HydrophobicContact CD1-CG2 4.21Å; R808-I812 WeakPolarHBondContact O-CB 3.16Å; R808-I812 WeakPolarHBondContact O-CG1 3.42Å; R808-I812 PolarHBondContact O-N 3.45Å; I809-I812 PolarHBondContact O-N 2.98Å; F810-I812 PolarHBondContact O-N 2.96Å; I812-L814 VanDerWaalsContact C-N 3.33Å; I812-L814 PolarHBondContact O-N 3.36Å; I812-I815 PolarHBondContact O-N 3.28Å; I812-L816 HydrophobicContact CG2-CD1 3.68Å; I812-L816 HydrophobicContact CG2-CG 4.21Å; I812-L816 WeakPolarHBondContact O-CB 3.45Å; I812-L816 WeakPolarHBondContact O-CG 3.48Å; I812-L816 PolarHBondContact O-N 3.36Å; I812-C1028 HydrophobicContact CD1-CB 3.6Å; I812-L1032 HydrophobicContact CD1-CD1 4.03Å; I812-L1032 HydrophobicContact CD1-CD2 4.15Å; I812-L1032 HydrophobicContact CD1-CG 3.88Å; I812-L1032 HydrophobicContact CG1-CD1 4.29Å; I812-L1032 HydrophobicContact CG1-CD2 3.81Å; I812-L1032 HydrophobicContact CG1-CG 4.12Å
813	A	96.4	Very high	93.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57.3	-46.9	175.8	0	0	0	0	0	111.7	L623 I809 F810 S817	L623-A813 HydrophobicContact CB-CB 3.98Å; L623-A813 HydrophobicContact CD2-CB 3.89Å; L623-A813 HydrophobicContact CG-CB 4.49Å; I809-A813 PolarHBondContact O-N 2.94Å; F810-A813 WeakPolarHBondContact O-CB 3.4Å; F810-A813 PolarHBondContact O-N 2.92Å; A813-S817 VanDerWaalsContact O-CB 3.23Å; A813-S817 WeakPolarHBondContact O-CB 3.47Å; A813-S817 PolarHBondContact O-N 3.36Å; A813-S817 PolarHBondContact O-OG 3.34Å
814	L	95.8	Very high	94.4	Very high	19 Å²	19	25.4 Å²	25.4	10%	0.099	14%	0.142	C	C	.	.	H	α-helix	trans	-65.9	-48.8	179.2	-68.9	169.3	0	0	0	111.6	L623 M778 L783 L786 A787 F810 R811 I812 L816 S817 I818	L623-L814 HydrophobicContact CD2-CD2 3.83Å; L623-L814 HydrophobicContact CD2-CG 4.13Å; M778-L814 HydrophobicContact CE-CB 4.18Å; M778-L814 HydrophobicContact CE-CD1 4.44Å; M778-L814 HydrophobicContact SD-CB 3.85Å; L783-L814 WeakPolarHBondContact O-CD1 3.49Å; L786-L814 HydrophobicContact CB-CD1 4.09Å; A787-L814 HydrophobicContact CB-CD1 4.09Å; F810-L814 WeakPolarHBondContact O-CG 3.45Å; F810-L814 PolarHBondContact O-N 2.87Å; R811-L814 PolarHBondContact O-N 2.9Å; I812-L814 VanDerWaalsContact C-N 3.33Å; I812-L814 PolarHBondContact O-N 3.36Å; L814-L816 PolarHBondContact O-N 3.27Å; L814-S817 PolarHBondContact O-N 2.9Å; L814-I818 VanDerWaalsContact O-CG1 3.26Å; L814-I818 WeakPolarHBondContact O-CG1 3.25Å; L814-I818 PolarHBondContact O-N 3.48Å
815	I	96.6	Very high	94.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-56.9	-54.8	179.1	-70.2	166.1	0	0	0	110.2	M778 R811 I812 S817 I818 F819 F1027 D1031 L1037	M778-I815 HydrophobicContact CE-CG1 4.06Å; R811-I815 HydrophobicContact CG-CD1 3.91Å; R811-I815 WeakPolarHBondContact O-CB 3.45Å; R811-I815 VanDerWaalsContact O-CG1 3.25Å; R811-I815 WeakPolarHBondContact O-CG1 3.3Å; R811-I815 PolarHBondContact O-N 3.22Å; I812-I815 PolarHBondContact O-N 3.28Å; I815-S817 VanDerWaalsContact C-N 3.3Å; I815-S817 PolarHBondContact O-N 3.32Å; I815-I818 PolarHBondContact O-N 3.09Å; I815-F819 HydrophobicContact CG2-CD2 3.74Å; I815-F819 HydrophobicContact CG2-CE2 3.85Å; I815-F819 WeakPolarHBondContact O-CD2 3.38Å; I815-F819 PolarHBondContact O-N 3.44Å; I815-F1027 HydrophobicContact CD1-CD1 4.37Å; I815-F1027 HydrophobicContact CD1-CE1 4Å; I815-F1027 HydrophobicContact CG1-CE1 4.27Å; I815-F1027 HydrophobicContact CG2-CD1 3.64Å; I815-F1027 HydrophobicContact CG2-CE1 3.94Å; I815-D1031 HydrophobicContact CD1-CB 4.26Å; I815-D1031 VanDerWaalsContact CD1-OD2 3.25Å; I815-D1031 WeakPolarHBondContact CD1-OD2 3.43Å; I815-L1037 HydrophobicContact CD1-CD2 4.08Å
816	L	96.8	Very high	95.2	Very high	6 Å²	6	27.7 Å²	27.7	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-65.2	-32.5	-178.2	-71.1	178.4	0	0	0	112.9	L612 Y616 I812 L814 S820 A1024 C1028	L612-L816 HydrophobicContact CD1-CD1 3.83Å; L612-L816 HydrophobicContact CD1-CD2 3.86Å; Y616-L816 HydrophobicContact CD2-CB 3.48Å; Y616-L816 VanDerWaalsContact CD2-CB 3.48Å; Y616-L816 HydrophobicContact CD2-CD1 4.06Å; Y616-L816 HydrophobicContact CD2-CG 4.43Å; Y616-L816 HydrophobicContact CE2-CB 3.9Å; Y616-L816 HydrophobicContact CG-CB 4.48Å; Y616-L816 HydrophobicContact CG-CD1 4.48Å; I812-L816 HydrophobicContact CG2-CD1 3.68Å; I812-L816 HydrophobicContact CG2-CG 4.21Å; I812-L816 WeakPolarHBondContact O-CB 3.45Å; I812-L816 WeakPolarHBondContact O-CG 3.48Å; I812-L816 PolarHBondContact O-N 3.36Å; L814-L816 PolarHBondContact O-N 3.27Å; L816-S820 VanDerWaalsContact O-CB 3.28Å; L816-S820 WeakPolarHBondContact O-CB 3.49Å; L816-S820 PolarHBondContact O-N 3.45Å; L816-S820 PolarHBondContact O-OG 3Å; L816-A1024 HydrophobicContact CD2-CB 4.29Å; L816-C1028 VanDerWaalsContact CD2-SG 3.52Å
817	S	96.9	Very high	95.3	Very high	25 Å²	25	30.5 Å²	30.5	18%	0.175	16%	0.156	C	C	.	.	H	α-helix	trans	-66.5	-45.7	174.3	-60.8	0	0	0	0	111.1	A813 L814 I815 S820 V821	A813-S817 VanDerWaalsContact O-CB 3.23Å; A813-S817 WeakPolarHBondContact O-CB 3.47Å; A813-S817 PolarHBondContact O-N 3.36Å; A813-S817 PolarHBondContact O-OG 3.34Å; L814-S817 PolarHBondContact O-N 2.9Å; I815-S817 VanDerWaalsContact C-N 3.3Å; I815-S817 PolarHBondContact O-N 3.32Å; S817-S820 PolarHBondContact O-N 3.44Å; S817-V821 WeakPolarHBondContact O-CB 3.29Å; S817-V821 VanDerWaalsContact O-CG2 3.3Å; S817-V821 WeakPolarHBondContact O-CG2 3.39Å; S817-V821 PolarHBondContact O-N 2.87Å
818	I	96.2	Very high	95.4	Very high	16 Å²	16	33.8 Å²	33.8	8%	0.082	17%	0.173	C	C	.	.	H	α-helix	trans	-64.3	-47	177.8	-66	164	0	0	0	110.2	V774 L777 M778 L783 L814 I815 S820 V821 I822	V774-I818 HydrophobicContact CB-CG2 4.43Å; V774-I818 HydrophobicContact CG2-CB 4.46Å; V774-I818 HydrophobicContact CG2-CG2 3.71Å; L777-I818 HydrophobicContact CB-CD1 3.93Å; L777-I818 HydrophobicContact CD1-CG1 4.33Å; L777-I818 HydrophobicContact CD1-CG2 3.53Å; M778-I818 HydrophobicContact CG-CD1 3.78Å; M778-I818 HydrophobicContact SD-CD1 3.59Å; M778-I818 VanDerWaalsContact SD-CD1 3.59Å; L783-I818 HydrophobicContact CD1-CD1 4.17Å; L814-I818 VanDerWaalsContact O-CG1 3.26Å; L814-I818 WeakPolarHBondContact O-CG1 3.25Å; L814-I818 PolarHBondContact O-N 3.48Å; I815-I818 PolarHBondContact O-N 3.09Å; I818-S820 PolarHBondContact O-N 2.95Å; I818-V821 PolarHBondContact O-N 3.35Å; I818-I822 HydrophobicContact CG2-CG1 4.03Å; I818-I822 VanDerWaalsContact O-CB 3.29Å; I818-I822 WeakPolarHBondContact O-CB 3.3Å; I818-I822 VanDerWaalsContact O-CG1 3.25Å; I818-I822 WeakPolarHBondContact O-CG1 3.47Å; I818-I822 PolarHBondContact O-N 3.15Å
819	F	96.8	Very high	95.4	Very high	3 Å²	3	35.9 Å²	35.9	1%	0.013	18%	0.183	C	C	.	.	H	α-helix	trans	-52.3	-55.6	172.6	-95.4	-96.3	0	0	0	109.9	T770 V774 I815 V821 I822 G823 F1020 A1024 F1027	T770-F819 HydrophobicContact CG2-CD1 3.77Å; T770-F819 HydrophobicContact CG2-CE1 3.85Å; T770-F819 HydrophobicContact CG2-CG 4.39Å; V774-F819 HydrophobicContact CB-CE2 4.41Å; V774-F819 HydrophobicContact CG1-CE2 4.22Å; V774-F819 HydrophobicContact CG2-CD2 3.63Å; V774-F819 HydrophobicContact CG2-CE2 3.6Å; V774-F819 HydrophobicContact CG2-CG 4.4Å; V774-F819 HydrophobicContact CG2-CZ 4.32Å; I815-F819 HydrophobicContact CG2-CD2 3.74Å; I815-F819 HydrophobicContact CG2-CE2 3.85Å; I815-F819 WeakPolarHBondContact O-CD2 3.38Å; I815-F819 PolarHBondContact O-N 3.44Å; F819-V821 PolarHBondContact O-N 2.93Å; F819-I822 PolarHBondContact O-N 3.24Å; F819-G823 PolarHBondContact O-N 2.97Å; F819-F1020 HydrophobicContact CB-CE1 4.41Å; F819-F1020 HydrophobicContact CB-CZ 4.01Å; F819-F1020 HydrophobicContact CD1-CE1 4.43Å; F819-F1020 HydrophobicContact CD1-CE2 4.27Å; F819-F1020 AromaticContact CD1-CZ 3.82Å; F819-F1020 HydrophobicContact CD1-CZ 3.82Å; F819-F1020 HydrophobicContact CG-CZ 4.41Å; F819-F1020 WeakPolarHBondContact O-CZ 3.48Å; F819-A1024 HydrophobicContact CD1-CB 3.77Å; F819-A1024 HydrophobicContact CE1-CB 4.12Å; F819-A1024 HydrophobicContact CG-CB 4.21Å; F819-F1027 HydrophobicContact CE2-CB 3.99Å; F819-F1027 AromaticContact CE2-CD1 3.91Å; F819-F1027 HydrophobicContact CE2-CD1 3.91Å; F819-F1027 HydrophobicContact CE2-CD2 4.09Å; F819-F1027 HydrophobicContact CE2-CE1 4.43Å; F819-F1027 AromaticContact CE2-CG 3.71Å; F819-F1027 HydrophobicContact CE2-CG 3.71Å; F819-F1027 HydrophobicContact CZ-CB 3.72Å; F819-F1027 HydrophobicContact CZ-CD1 4.41Å; F819-F1027 AromaticContact CZ-CD2 3.91Å; F819-F1027 HydrophobicContact CZ-CD2 3.91Å; F819-F1027 AromaticContact CZ-CG 3.75Å; F819-F1027 HydrophobicContact CZ-CG 3.75Å
820	S	95.2	Very high	95.2	Very high	41 Å²	41	36 Å²	36	29%	0.287	18%	0.184	S	C	.	.	H	α-helix	trans	-58.2	-46.9	-177.2	-58.7	0	0	0	0	112.7	L816 S817 I818 I824	L816-S820 VanDerWaalsContact O-CB 3.28Å; L816-S820 WeakPolarHBondContact O-CB 3.49Å; L816-S820 PolarHBondContact O-N 3.45Å; L816-S820 PolarHBondContact O-OG 3Å; S817-S820 PolarHBondContact O-N 3.44Å; I818-S820 PolarHBondContact O-N 2.95Å; S820-I824 WeakPolarHBondContact O-CB 3.34Å; S820-I824 WeakPolarHBondContact O-CD1 3.35Å; S820-I824 WeakPolarHBondContact O-CG1 3.49Å; S820-I824 PolarHBondContact O-N 3.4Å
821	V	96.4	Very high	94.8	Very high	83 Å²	83	38.8 Å²	38.8	50%	0.503	20%	0.199	S	C	.	.	H	α-helix	trans	-64.8	-48.9	-179.9	171	0	0	0	0	111.2	S817 I818 F819 G823 I824 I825	S817-V821 WeakPolarHBondContact O-CB 3.29Å; S817-V821 VanDerWaalsContact O-CG2 3.3Å; S817-V821 WeakPolarHBondContact O-CG2 3.39Å; S817-V821 PolarHBondContact O-N 2.87Å; I818-V821 PolarHBondContact O-N 3.35Å; F819-V821 PolarHBondContact O-N 2.93Å; V821-G823 PolarHBondContact O-N 2.89Å; V821-I824 PolarHBondContact O-N 3.49Å; V821-I825 HydrophobicContact CG1-CD1 3.79Å; V821-I825 VanDerWaalsContact O-CG1 3.26Å; V821-I825 WeakPolarHBondContact O-CG1 3.4Å; V821-I825 PolarHBondContact O-N 2.83Å
822	I	96.4	Very high	94.5	Very high	27 Å²	27	41.7 Å²	41.7	14%	0.138	22%	0.218	C	C	.	.	H	α-helix	trans	-66.2	-39.3	-179.9	-65.5	-61.7	0	0	0	111.2	T770 C773 L777 I818 F819 I825 Q826	T770-I822 HydrophobicContact CG2-CG2 4.27Å; C773-I822 HydrophobicContact CB-CD1 4.06Å; C773-I822 HydrophobicContact CB-CG1 4.02Å; C773-I822 HydrophobicContact CB-CG2 4.25Å; L777-I822 HydrophobicContact CD1-CD1 4.5Å; I818-I822 HydrophobicContact CG2-CG1 4.03Å; I818-I822 VanDerWaalsContact O-CB 3.29Å; I818-I822 WeakPolarHBondContact O-CB 3.3Å; I818-I822 VanDerWaalsContact O-CG1 3.25Å; I818-I822 WeakPolarHBondContact O-CG1 3.47Å; I818-I822 PolarHBondContact O-N 3.15Å; F819-I822 PolarHBondContact O-N 3.24Å; I822-I825 PolarHBondContact O-N 3.28Å; I822-Q826 HydrophobicContact CG2-CG 4.49Å; I822-Q826 WeakPolarHBondContact O-CB 3.21Å; I822-Q826 WeakPolarHBondContact O-CG 3.33Å; I822-Q826 PolarHBondContact O-N 3.33Å
823	G	95.1	Very high	94.2	Very high	7 Å²	7	45.8 Å²	45.8	7%	0.072	24%	0.24	C	C	.	.	H	α-helix	trans	-62.3	-45.1	175.4	0	0	0	0	0	112.2	F819 V821 Q826 W827	F819-G823 PolarHBondContact O-N 2.97Å; V821-G823 PolarHBondContact O-N 2.89Å; G823-Q826 PolarHBondContact O-N 2.7Å; G823-W827 VanDerWaalsContact O-CB 3.26Å; G823-W827 WeakPolarHBondContact O-CB 2.86Å; G823-W827 PolarHBondContact O-N 3.45Å
824	I	95.4	Very high	93.7	Very high	97 Å²	97	50.7 Å²	50.7	50%	0.497	26%	0.258	S	S	.	.	H	α-helix	trans	-63.5	-43.7	175.5	-69.6	164.4	0	0	0	110.8	S820 V821 W827 L828	S820-I824 WeakPolarHBondContact O-CB 3.34Å; S820-I824 WeakPolarHBondContact O-CD1 3.35Å; S820-I824 WeakPolarHBondContact O-CG1 3.49Å; S820-I824 PolarHBondContact O-N 3.4Å; V821-I824 PolarHBondContact O-N 3.49Å; I824-W827 PolarHBondContact O-N 3.46Å; I824-L828 HydrophobicContact CG2-CD1 3.85Å; I824-L828 HydrophobicContact CG2-CG 4.26Å; I824-L828 WeakPolarHBondContact O-CB 3.19Å; I824-L828 WeakPolarHBondContact O-CG 3.44Å; I824-L828 PolarHBondContact O-N 3.41Å
825	I	95.8	Very high	93.3	Very high	97 Å²	97	51.5 Å²	51.5	50%	0.497	26%	0.261	S	S	.	.	H	α-helix	trans	-61.4	-46.8	177.8	-70.5	167	0	0	0	110.7	V821 I822 L828 F829	V821-I825 HydrophobicContact CG1-CD1 3.79Å; V821-I825 VanDerWaalsContact O-CG1 3.26Å; V821-I825 WeakPolarHBondContact O-CG1 3.4Å; V821-I825 PolarHBondContact O-N 2.83Å; I822-I825 PolarHBondContact O-N 3.28Å; I825-L828 PolarHBondContact O-N 2.96Å; I825-F829 WeakPolarHBondContact O-CB 3.3Å; I825-F829 PolarHBondContact O-N 3.36Å
826	Q	94.6	Very high	92.8	Very high	24 Å²	24	61.8 Å²	61.8	11%	0.112	30%	0.3	C	S	.	.	H	α-helix	trans	-63.5	-42.7	177.8	-75	-178.3	45.6	0	0	111.9	T765 S766 T770 I822 G823 F829 S830	T765-Q826 HydrophobicContact CG2-CB 4.05Å; S766-Q826 PolarHBondContact O-OE1 3.11Å; T770-Q826 PolarHBondContact OG1-NE2 2.9Å; I822-Q826 HydrophobicContact CG2-CG 4.49Å; I822-Q826 WeakPolarHBondContact O-CB 3.21Å; I822-Q826 WeakPolarHBondContact O-CG 3.33Å; I822-Q826 PolarHBondContact O-N 3.33Å; G823-Q826 PolarHBondContact O-N 2.7Å; Q826-F829 PolarHBondContact O-N 3.02Å; Q826-S830 WeakPolarHBondContact O-CB 3.5Å; Q826-S830 PolarHBondContact O-N 2.98Å
827	W	93.4	Very high	92.3	Very high	118 Å²	118	65.7 Å²	65.7	45%	0.447	33%	0.327	S	S	.	.	H	α-helix	trans	-63.1	-46.8	177.8	177.7	78.7	0	0	0	112.1	G823 I824 S830 I831	G823-W827 VanDerWaalsContact O-CB 3.26Å; G823-W827 WeakPolarHBondContact O-CB 2.86Å; G823-W827 PolarHBondContact O-N 3.45Å; I824-W827 PolarHBondContact O-N 3.46Å; W827-S830 PolarHBondContact O-N 3.01Å; W827-I831 HydrophobicContact CD2-CD1 3.98Å; W827-I831 HydrophobicContact CG-CD1 4.32Å; W827-I831 HydrophobicContact CH2-CD1 4.35Å; W827-I831 HydrophobicContact CZ2-CD1 3.52Å; W827-I831 VanDerWaalsContact NE1-CD1 3.28Å; W827-I831 PolarHBondContact O-N 2.84Å; W827-I831 VanDerWaalsContact O-N 3.11Å
828	L	93.3	Very high	91.6	Very high	79 Å²	79	71.5 Å²	71.5	41%	0.414	35%	0.349	S	S	.	.	H	α-helix	trans	-62.6	-43.7	174.8	-74	175.5	0	0	0	111.2	I824 I825 I831 T832	I824-L828 HydrophobicContact CG2-CD1 3.85Å; I824-L828 HydrophobicContact CG2-CG 4.26Å; I824-L828 WeakPolarHBondContact O-CB 3.19Å; I824-L828 WeakPolarHBondContact O-CG 3.44Å; I824-L828 PolarHBondContact O-N 3.41Å; I825-L828 PolarHBondContact O-N 2.96Å; L828-I831 PolarHBondContact O-N 2.87Å; L828-T832 VanDerWaalsContact O-CB 3.3Å; L828-T832 WeakPolarHBondContact O-CB 3.38Å; L828-T832 WeakPolarHBondContact O-CG2 3.5Å; L828-T832 PolarHBondContact O-N 3.47Å; L828-T832 PolarHBondContact O-OG1 3.22Å
829	F	93	Very high	90.9	Very high	96 Å²	96	73.3 Å²	73.3	42%	0.421	36%	0.363	S	S	.	.	H	α-helix	trans	-60.7	-45.2	177.2	178.5	-92.9	0	0	0	111.7	I825 Q826 L833 W834	I825-F829 WeakPolarHBondContact O-CB 3.3Å; I825-F829 PolarHBondContact O-N 3.36Å; Q826-F829 PolarHBondContact O-N 3.02Å; F829-L833 HydrophobicContact CD2-CB 4.14Å; F829-L833 HydrophobicContact CD2-CD1 3.63Å; F829-L833 HydrophobicContact CE2-CB 4.18Å; F829-L833 HydrophobicContact CE2-CD1 3.95Å; F829-L833 WeakPolarHBondContact O-CB 3.4Å; F829-L833 PolarHBondContact O-N 2.93Å; F829-L833 VanDerWaalsContact O-N 3.08Å; F829-W834 HydrophobicContact CD1-CB 4.37Å; F829-W834 HydrophobicContact CE1-CB 4.12Å; F829-W834 AromaticContact CE1-CE3 3.91Å; F829-W834 HydrophobicContact CE1-CE3 3.91Å; F829-W834 HydrophobicContact CZ-CE3 4.2Å; F829-W834 PolarHBondContact O-N 2.87Å
830	S	89.9	Confident	90.4	Very high	6 Å²	6	74.8 Å²	74.8	4%	0.042	37%	0.371	C	S	.	.	I	π-helix	trans	-55.8	-55.3	176.7	-171.1	0	0	0	0	110.8	Q826 W827 W834 E835	Q826-S830 WeakPolarHBondContact O-CB 3.5Å; Q826-S830 PolarHBondContact O-N 2.98Å; W827-S830 PolarHBondContact O-N 3.01Å; S830-W834 WeakPolarHBondContact O-CB 3.24Å; S830-W834 PolarHBondContact O-N 3.39Å; S830-E835 WeakPolarHBondContact O-CB 3.34Å; S830-E835 VanDerWaalsContact O-CG 3.25Å; S830-E835 WeakPolarHBondContact O-CG 3.47Å; S830-E835 PolarHBondContact O-N 3.16Å; S830-E835 PolarHBondContact OG-OE1 2.98Å
831	I	86.9	Confident	90	Very high	60 Å²	60	77.1 Å²	77.1	31%	0.308	38%	0.376	S	S	.	.	I	π-helix	trans	-74.2	-43	-171.9	-65.4	175.2	0	0	0	112.3	W827 L828	W827-I831 HydrophobicContact CD2-CD1 3.98Å; W827-I831 HydrophobicContact CG-CD1 4.32Å; W827-I831 HydrophobicContact CH2-CD1 4.35Å; W827-I831 HydrophobicContact CZ2-CD1 3.52Å; W827-I831 VanDerWaalsContact NE1-CD1 3.28Å; W827-I831 PolarHBondContact O-N 2.84Å; W827-I831 VanDerWaalsContact O-N 3.11Å; L828-I831 PolarHBondContact O-N 2.87Å
832	T	87.9	Confident	89.8	Confident	72 Å²	72	73.2 Å²	73.2	44%	0.442	35%	0.352	S	S	.	.	I	π-helix	trans	-88.1	-34.2	-169.6	64	0	0	0	0	113.7	L828 R836	L828-T832 VanDerWaalsContact O-CB 3.3Å; L828-T832 WeakPolarHBondContact O-CB 3.38Å; L828-T832 WeakPolarHBondContact O-CG2 3.5Å; L828-T832 PolarHBondContact O-N 3.47Å; L828-T832 PolarHBondContact O-OG1 3.22Å; T832-R836 WeakPolarHBondContact O-CB 3.42Å
833	L	88.7	Confident	89.4	Confident	86 Å²	86	79.4 Å²	79.4	45%	0.45	37%	0.374	S	S	.	.	I	π-helix	trans	-112.7	-51.8	-173.1	-67.2	170.2	0	0	0	111.4	F829 C837	F829-L833 HydrophobicContact CD2-CB 4.14Å; F829-L833 HydrophobicContact CD2-CD1 3.63Å; F829-L833 HydrophobicContact CE2-CB 4.18Å; F829-L833 HydrophobicContact CE2-CD1 3.95Å; F829-L833 WeakPolarHBondContact O-CB 3.4Å; F829-L833 PolarHBondContact O-N 2.93Å; F829-L833 VanDerWaalsContact O-N 3.08Å; L833-C837 WeakPolarHBondContact O-CB 3.23Å; L833-C837 PolarHBondContact O-N 3.19Å
834	W	87.3	Confident	89.2	Confident	102 Å²	102	82.5 Å²	82.5	39%	0.386	40%	0.395	S	S	.	.	I	π-helix	trans	-68.5	-56.1	-172.9	-171.7	-94.7	0	0	0	112.6	F829 S830 R836 F838 S839	F829-W834 HydrophobicContact CD1-CB 4.37Å; F829-W834 HydrophobicContact CE1-CB 4.12Å; F829-W834 AromaticContact CE1-CE3 3.91Å; F829-W834 HydrophobicContact CE1-CE3 3.91Å; F829-W834 HydrophobicContact CZ-CE3 4.2Å; F829-W834 PolarHBondContact O-N 2.87Å; S830-W834 WeakPolarHBondContact O-CB 3.24Å; S830-W834 PolarHBondContact O-N 3.39Å; W834-R836 VanDerWaalsContact C-N 3.3Å; W834-R836 PolarHBondContact O-N 3.3Å; W834-F838 HydrophobicContact CD2-CB 4.32Å; W834-F838 HydrophobicContact CE3-CB 4.34Å; W834-F838 HydrophobicContact CE3-CD2 4.04Å; W834-F838 HydrophobicContact CE3-CG 4.27Å; W834-F838 HydrophobicContact CZ3-CD2 4.46Å; W834-F838 HydrophobicContact CZ3-CG 4.38Å; W834-F838 WeakPolarHBondContact O-CA 3.45Å; W834-F838 WeakPolarHBondContact O-CB 3.47Å; W834-F838 PolarHBondContact O-N 3.14Å; W834-S839 PolarHBondContact O-N 2.71Å; W834-S839 VanDerWaalsContact O-N 3.14Å
835	E	86.8	Confident	89.1	Confident	36 Å²	36	78.1 Å²	78.1	17%	0.168	37%	0.372	C	S	.	.	H	α-helix	trans	-64.8	-36.3	-178.7	-72.9	160.4	-142.8	0	0	111.4	S830 Y1013	S830-E835 WeakPolarHBondContact O-CB 3.34Å; S830-E835 VanDerWaalsContact O-CG 3.25Å; S830-E835 WeakPolarHBondContact O-CG 3.47Å; S830-E835 PolarHBondContact O-N 3.16Å; S830-E835 PolarHBondContact OG-OE1 2.98Å; E835-Y1013 VanDerWaalsContact CD-OH 3.25Å; E835-Y1013 PolarHBondContact OE1-OH 3.45Å; E835-Y1013 PolarHBondContact OE2-OH 3.28Å
836	R	85	Confident	88.9	Confident	217 Å²	217	73.7 Å²	73.7	82%	0.819	35%	0.35	S	S	*	.	H	α-helix	trans	-78.3	-36.9	-178	-172.2	172.6	179.9	152.6	1.5	113.8	T832 W834	T832-R836 WeakPolarHBondContact O-CB 3.42Å; W834-R836 VanDerWaalsContact C-N 3.3Å; W834-R836 PolarHBondContact O-N 3.3Å
837	C	86.5	Confident	88.6	Confident	87 Å²	87	74.9 Å²	74.9	59%	0.588	36%	0.357	S	S	*	.	H	α-helix	trans	-106.6	-25.5	-170.7	-60.4	0	0	0	0	114.2	L833	L833-C837 WeakPolarHBondContact O-CB 3.23Å; L833-C837 PolarHBondContact O-N 3.19Å
838	F	82.6	Confident	88.6	Confident	148 Å²	148	70.8 Å²	70.8	65%	0.649	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	-63.9	-170.5	-65.8	-83.6	0	0	0	112.9	W834	W834-F838 HydrophobicContact CD2-CB 4.32Å; W834-F838 HydrophobicContact CE3-CB 4.34Å; W834-F838 HydrophobicContact CE3-CD2 4.04Å; W834-F838 HydrophobicContact CE3-CG 4.27Å; W834-F838 HydrophobicContact CZ3-CD2 4.46Å; W834-F838 HydrophobicContact CZ3-CG 4.38Å; W834-F838 WeakPolarHBondContact O-CA 3.45Å; W834-F838 WeakPolarHBondContact O-CB 3.47Å; W834-F838 PolarHBondContact O-N 3.14Å
839	S	80.9	Confident	88.6	Confident	53 Å²	53	67 Å²	67	37%	0.371	32%	0.324	S	S	.	.			trans	-163.4	123.9	-175.7	-177.3	0	0	0	0	111.3	W834	W834-S839 PolarHBondContact O-N 2.71Å; W834-S839 VanDerWaalsContact O-N 3.14Å
840	D	86.3	Confident	88.4	Confident	35 Å²	35	62.5 Å²	62.5	19%	0.187	31%	0.305	C	S	.	.			trans	-100.4	104.6	164.4	178.6	-11.4	0	0	0	108.2	L842 R843 S844 N1005	D840-L842 VanDerWaalsContact C-N 3.31Å; D840-L842 PolarHBondContact O-N 2.88Å; D840-L842 PolarHBondContact OD1-N 3.2Å; D840-R843 HydrophobicContact CB-CB 3.82Å; D840-R843 PolarHBondContact O-N 3.22Å; D840-R843 PolarHBondContact OD1-N 2.91Å; D840-R843 VanDerWaalsContact OD2-CB 3.22Å; D840-R843 WeakPolarHBondContact OD2-CB 3.42Å; D840-S844 VanDerWaalsContact O-CB 3.27Å; D840-S844 WeakPolarHBondContact O-CB 3.4Å; D840-S844 PolarHBondContact O-N 3.48Å; D840-N1005 PolarHBondContact OD2-ND2 2.7Å
841	K	88.8	Confident	88.3	Confident	89 Å²	89	65.8 Å²	65.8	39%	0.387	32%	0.324	S	S	.	.	H	α-helix	trans	-63.8	-35.5	-179.1	-71.8	-161.5	175.9	-163.2	0	112.8	Y762 S844 F845	Y762-K841 HydrophobicContact CD1-CB 4.46Å; Y762-K841 HydrophobicContact CD1-CD 4.19Å; Y762-K841 HydrophobicContact CD2-CD 3.89Å; Y762-K841 HydrophobicContact CE1-CB 4.23Å; Y762-K841 HydrophobicContact CE1-CD 4.1Å; Y762-K841 HydrophobicContact CE1-CG 4.31Å; Y762-K841 HydrophobicContact CE2-CD 3.82Å; Y762-K841 HydrophobicContact CG-CD 4.08Å; K841-S844 PolarHBondContact O-N 2.67Å; K841-F845 WeakPolarHBondContact O-CB 3.41Å; K841-F845 PolarHBondContact O-N 2.69Å
842	L	90.3	Very high	88.5	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-72.5	-41.8	-178.3	-81	73.1	0	0	0	110	Y762 D840 F845 A846 N1005 F1007 Y1013	Y762-L842 HydrophobicContact CD1-CD1 4.29Å; D840-L842 VanDerWaalsContact C-N 3.31Å; D840-L842 PolarHBondContact O-N 2.88Å; D840-L842 PolarHBondContact OD1-N 3.2Å; L842-F845 PolarHBondContact O-N 3.43Å; L842-A846 PolarHBondContact O-N 3.16Å; L842-N1005 HydrophobicContact CB-CB 3.84Å; L842-N1005 HydrophobicContact CD2-CB 3.99Å; L842-F1007 HydrophobicContact CB-CE1 4.3Å; L842-F1007 HydrophobicContact CB-CE2 4.45Å; L842-F1007 HydrophobicContact CB-CZ 3.74Å; L842-F1007 HydrophobicContact CD2-CE2 4.25Å; L842-F1007 HydrophobicContact CD2-CZ 4.16Å; L842-F1007 HydrophobicContact CG-CE2 4.13Å; L842-F1007 HydrophobicContact CG-CZ 3.92Å; L842-Y1013 HydrophobicContact CD1-CD1 3.95Å; L842-Y1013 HydrophobicContact CD1-CD2 3.89Å; L842-Y1013 HydrophobicContact CD1-CE1 4.03Å; L842-Y1013 HydrophobicContact CD1-CE2 3.99Å; L842-Y1013 HydrophobicContact CD1-CG 3.85Å; L842-Y1013 HydrophobicContact CD2-CD1 3.48Å; L842-Y1013 VanDerWaalsContact CD2-CD1 3.48Å; L842-Y1013 HydrophobicContact CD2-CE1 3.57Å; L842-Y1013 HydrophobicContact CD2-CG 4.17Å; L842-Y1013 HydrophobicContact CG-CD1 4.39Å; L842-Y1013 HydrophobicContact CG-CE1 4.44Å
843	R	89.2	Confident	88.8	Confident	157 Å²	157	60 Å²	60	59%	0.592	29%	0.292	S	S	*	.	H	α-helix	trans	-65.1	-42.3	172.8	-172.3	173.6	-171.9	149.9	6.4	111.9	D840 F845 A846 D847 N1005	D840-R843 HydrophobicContact CB-CB 3.82Å; D840-R843 PolarHBondContact O-N 3.22Å; D840-R843 PolarHBondContact OD1-N 2.91Å; D840-R843 VanDerWaalsContact OD2-CB 3.22Å; D840-R843 WeakPolarHBondContact OD2-CB 3.42Å; R843-F845 VanDerWaalsContact C-N 3.26Å; R843-F845 PolarHBondContact O-N 2.72Å; R843-A846 PolarHBondContact O-N 2.84Å; R843-A846 VanDerWaalsContact O-N 3.15Å; R843-D847 WeakPolarHBondContact O-CB 3.47Å; R843-D847 PolarHBondContact O-N 3.42Å; R843-N1005 PolarHBondContact N-ND2 3.35Å
844	S	90.3	Very high	89.1	Confident	72 Å²	72	55.9 Å²	55.9	50%	0.503	27%	0.271	S	S	.	.	H	α-helix	trans	-59.3	-38	175	-171.4	0	0	0	0	111.8	D840 K841 L848	D840-S844 VanDerWaalsContact O-CB 3.27Å; D840-S844 WeakPolarHBondContact O-CB 3.4Å; D840-S844 PolarHBondContact O-N 3.48Å; K841-S844 PolarHBondContact O-N 2.67Å; S844-L848 WeakPolarHBondContact O-CB 3.15Å; S844-L848 PolarHBondContact O-N 3.42Å
845	F	93.8	Very high	89.4	Confident	6 Å²	6	51 Å²	51	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-67.1	-42.9	174.4	178.6	-101	0	0	0	112.2	V752 E755 W756 I759 K841 L842 R843 D847 L848 C849 V856 I868 F1007	V752-F845 HydrophobicContact CG1-CE2 4.1Å; V752-F845 HydrophobicContact CG1-CZ 3.99Å; E755-F845 HydrophobicContact CB-CD2 4.06Å; E755-F845 HydrophobicContact CB-CE2 4.13Å; W756-F845 HydrophobicContact CB-CE2 3.99Å; W756-F845 HydrophobicContact CB-CZ 3.98Å; W756-F845 HydrophobicContact CD2-CZ 4.44Å; W756-F845 HydrophobicContact CE3-CD1 4.49Å; W756-F845 AromaticContact CE3-CE1 3.64Å; W756-F845 HydrophobicContact CE3-CE1 3.64Å; W756-F845 HydrophobicContact CE3-CE2 4.46Å; W756-F845 AromaticContact CE3-CZ 3.64Å; W756-F845 HydrophobicContact CE3-CZ 3.64Å; W756-F845 HydrophobicContact CZ3-CE1 4.11Å; I759-F845 HydrophobicContact CD1-CB 4.14Å; I759-F845 HydrophobicContact CD1-CD1 3.96Å; I759-F845 HydrophobicContact CD1-CD2 4.02Å; I759-F845 HydrophobicContact CD1-CE1 4.41Å; I759-F845 HydrophobicContact CD1-CE2 4.47Å; I759-F845 HydrophobicContact CD1-CG 3.75Å; K841-F845 WeakPolarHBondContact O-CB 3.41Å; K841-F845 PolarHBondContact O-N 2.69Å; L842-F845 PolarHBondContact O-N 3.43Å; R843-F845 VanDerWaalsContact C-N 3.26Å; R843-F845 PolarHBondContact O-N 2.72Å; F845-D847 VanDerWaalsContact C-N 3.34Å; F845-D847 PolarHBondContact O-N 3.13Å; F845-L848 WeakPolarHBondContact O-CB 3.46Å; F845-L848 PolarHBondContact O-N 2.7Å; F845-C849 PolarHBondContact O-N 3.18Å; F845-C849 PolarHBondContact O-SG 2.98Å; F845-V856 HydrophobicContact CE1-CG2 4.04Å; F845-V856 HydrophobicContact CZ-CG2 4.03Å; F845-I868 HydrophobicContact CD1-CD1 3.95Å; F845-I868 HydrophobicContact CE1-CD1 3.66Å; F845-F1007 HydrophobicContact CD1-CE2 4.13Å; F845-F1007 HydrophobicContact CD1-CZ 4.07Å
846	A	91.2	Very high	89.8	Confident	4 Å²	4	49.3 Å²	49.3	3%	0.033	24%	0.244	C	C	.	.	H	α-helix	trans	-63.4	-40.1	175	0	0	0	0	0	112.1	L842 R843 C849 S850 I868 T909	L842-A846 PolarHBondContact O-N 3.16Å; R843-A846 PolarHBondContact O-N 2.84Å; R843-A846 VanDerWaalsContact O-N 3.15Å; A846-C849 WeakPolarHBondContact O-CB 3.16Å; A846-C849 PolarHBondContact O-N 3.47Å; A846-S850 PolarHBondContact O-N 3.12Å; A846-I868 HydrophobicContact CB-CG2 3.97Å; A846-T909 HydrophobicContact CB-CG2 4.23Å
847	D	89.5	Confident	90.4	Very high	49 Å²	49	39 Å²	39	26%	0.262	21%	0.205	S	C	.	.	H	α-helix	trans	-64.9	-42.7	174.7	-76	-30.5	0	0	0	111.3	R843 F845 C849 S850 V851 R899	R843-D847 WeakPolarHBondContact O-CB 3.47Å; R843-D847 PolarHBondContact O-N 3.42Å; F845-D847 VanDerWaalsContact C-N 3.34Å; F845-D847 PolarHBondContact O-N 3.13Å; D847-C849 VanDerWaalsContact C-N 3.28Å; D847-C849 PolarHBondContact O-N 3.5Å; D847-S850 PolarHBondContact O-N 3.35Å; D847-S850 VanDerWaalsContact O-N 3.1Å; D847-S850 PolarHBondContact O-OG 2.99Å; D847-V851 PolarHBondContact O-N 2.87Å; D847-V851 VanDerWaalsContact O-N 3.11Å; D847-R899 IonicContact OD1-NH1 3.08Å; D847-R899 PolarHBondContact OD1-NH1 2.91Å
848	L	91.9	Very high	90.8	Very high	31 Å²	31	34.8 Å²	34.8	16%	0.162	18%	0.177	C	C	.	.	H	α-helix	trans	-56	-43.4	173.8	171.1	62.3	0	0	0	111.8	Y751 V752 E755 S844 F845 S850 V851 A852	Y751-L848 HydrophobicContact CD1-CD1 3.8Å; Y751-L848 HydrophobicContact CD1-CD2 4.19Å; Y751-L848 HydrophobicContact CE1-CD1 3.35Å; Y751-L848 HydrophobicContact CE1-CD2 3.82Å; Y751-L848 HydrophobicContact CE1-CG 4.21Å; V752-L848 HydrophobicContact CG2-CG 4.46Å; E755-L848 HydrophobicContact CB-CD2 3.79Å; E755-L848 HydrophobicContact CG-CD2 3.56Å; S844-L848 WeakPolarHBondContact O-CB 3.15Å; S844-L848 PolarHBondContact O-N 3.42Å; F845-L848 WeakPolarHBondContact O-CB 3.46Å; F845-L848 PolarHBondContact O-N 2.7Å; L848-S850 VanDerWaalsContact C-N 3.26Å; L848-S850 PolarHBondContact O-N 3.43Å; L848-V851 PolarHBondContact O-N 2.89Å; L848-A852 VanDerWaalsContact O-CB 3.26Å; L848-A852 WeakPolarHBondContact O-CB 3.31Å; L848-A852 PolarHBondContact O-N 3.38Å
849	C	93.2	Very high	91.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-56.7	-41.7	177.5	-68.8	0	0	0	0	111.7	F845 A846 D847 N853 V854 I868 G870	F845-C849 PolarHBondContact O-N 3.18Å; F845-C849 PolarHBondContact O-SG 2.98Å; A846-C849 WeakPolarHBondContact O-CB 3.16Å; A846-C849 PolarHBondContact O-N 3.47Å; D847-C849 VanDerWaalsContact C-N 3.28Å; D847-C849 PolarHBondContact O-N 3.5Å; C849-N853 PolarHBondContact O-N 2.56Å; C849-V854 CarbonylContact C-O 3.37Å; C849-V854 WeakPolarHBondContact CA-O 3.22Å; C849-V854 VanDerWaalsContact CB-O 3.23Å; C849-V854 WeakPolarHBondContact CB-O 3.31Å; C849-V854 PolarHBondContact O-N 3.31Å; C849-V854 VanDerWaalsContact O-O 3.09Å; C849-I868 HydrophobicContact CB-CG2 3.98Å; C849-G870 VanDerWaalsContact C-CA 3.5Å; C849-G870 WeakPolarHBondContact O-CA 2.97Å; C849-G870 VanDerWaalsContact O-O 3.05Å
850	S	89.1	Confident	91.9	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.014	14%	0.136	C	C	.	.	H	α-helix	trans	-68.2	-37.9	178.2	73.8	0	0	0	0	113.5	A846 D847 L848 N853 S872	A846-S850 PolarHBondContact O-N 3.12Å; D847-S850 PolarHBondContact O-N 3.35Å; D847-S850 VanDerWaalsContact O-N 3.1Å; D847-S850 PolarHBondContact O-OG 2.99Å; L848-S850 VanDerWaalsContact C-N 3.26Å; L848-S850 PolarHBondContact O-N 3.43Å; S850-N853 PolarHBondContact O-N 2.85Å; S850-S872 VanDerWaalsContact O-CA 3.3Å; S850-S872 WeakPolarHBondContact O-CA 3.36Å; S850-S872 WeakPolarHBondContact O-CB 3.48Å
851	V	88.8	Confident	92.2	Very high	74 Å²	74	26.4 Å²	26.4	45%	0.448	14%	0.136	S	C	.	.	H	α-helix	trans	-72.4	-39	177.2	177.2	0	0	0	0	111.1	D847 L848 N853 S877	D847-V851 PolarHBondContact O-N 2.87Å; D847-V851 VanDerWaalsContact O-N 3.11Å; L848-V851 PolarHBondContact O-N 2.89Å; V851-N853 PolarHBondContact O-N 2.75Å; V851-S877 VanDerWaalsContact O-CB 3.26Å; V851-S877 WeakPolarHBondContact O-CB 3.39Å
852	A	91	Very high	92.3	Very high	10 Å²	10	23.8 Å²	23.8	8%	0.083	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-7	178.2	0	0	0	0	0	113.5	R748 V752 L848 V854 S877	R748-A852 WeakPolarHBondContact CD-O 3.24Å; R748-A852 PolarHBondContact NH1-O 2.9Å; V752-A852 HydrophobicContact CG2-CB 3.84Å; L848-A852 VanDerWaalsContact O-CB 3.26Å; L848-A852 WeakPolarHBondContact O-CB 3.31Å; L848-A852 PolarHBondContact O-N 3.38Å; A852-V854 HydrophobicContact CB-CB 4.48Å; A852-V854 HydrophobicContact CB-CG2 4.43Å; A852-V854 PolarHBondContact O-N 2.89Å; A852-S877 PolarHBondContact O-OG 3.12Å
853	N	93.3	Very high	92.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	35.6	-173.8	-157.4	31.7	0	0	0	112.7	W675 E676 C849 S850 V851 G870 S872 G875 S877	W675-N853 WeakPolarHBondContact CB-O 3.23Å; W675-N853 WeakPolarHBondContact CB-OD1 3.48Å; W675-N853 PolarHBondContact N-O 2.69Å; E676-N853 PolarHBondContact N-ND2 2.99Å; E676-N853 PolarHBondContact OE2-ND2 3.09Å; C849-N853 PolarHBondContact O-N 2.56Å; S850-N853 PolarHBondContact O-N 2.85Å; V851-N853 PolarHBondContact O-N 2.75Å; N853-G870 CarbonylContact C-O 3.46Å; N853-G870 WeakPolarHBondContact CA-O 3.37Å; N853-S872 PolarHBondContact OD1-N 2.94Å; N853-S872 PolarHBondContact OD1-OG 3.4Å; N853-G875 PolarHBondContact ND2-O 3.46Å; N853-S877 WeakPolarHBondContact CB-OG 3.49Å
854	V	94.5	Very high	92.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.1	-178.2	174.8	0	0	0	0	109.1	L672 I673 R748 I749 V752 C849 A852 G870	L672-V854 HydrophobicContact CB-CG1 3.94Å; L672-V854 HydrophobicContact CD2-CG1 4.45Å; I673-V854 CarbonylContact O-C 3.18Å; I673-V854 WeakPolarHBondContact O-CA 3.46Å; R748-V854 HydrophobicContact CB-CG2 4.26Å; I749-V854 HydrophobicContact CG1-CG2 4.22Å; V752-V854 HydrophobicContact CG1-CG1 4.37Å; V752-V854 HydrophobicContact CG2-CB 4.24Å; V752-V854 HydrophobicContact CG2-CG1 4.43Å; C849-V854 CarbonylContact C-O 3.37Å; C849-V854 WeakPolarHBondContact CA-O 3.22Å; C849-V854 VanDerWaalsContact CB-O 3.23Å; C849-V854 WeakPolarHBondContact CB-O 3.31Å; C849-V854 PolarHBondContact O-N 3.31Å; C849-V854 VanDerWaalsContact O-O 3.09Å; A852-V854 HydrophobicContact CB-CB 4.48Å; A852-V854 HydrophobicContact CB-CG2 4.43Å; A852-V854 PolarHBondContact O-N 2.89Å; V854-G870 PolarHBondContact N-O 2.88Å; V854-G870 WeakPolarHBondContact O-CA 3.29Å
855	S	95.3	Very high	92.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	150.9	172.1	-60.5	0	0	0	0	112.1	L672 I673 W675 Y867 I868 G870	L672-S855 CarbonylContact C-O 3.58Å; L672-S855 WeakPolarHBondContact CA-O 3.29Å; I673-S855 PolarHBondContact N-O 3.01Å; I673-S855 PolarHBondContact O-N 3.06Å; W675-S855 PolarHBondContact NE1-OG 3.24Å; S855-Y867 PolarHBondContact OG-OH 2.89Å; S855-I868 CarbonylContact C-O 3.51Å; S855-I868 WeakPolarHBondContact CA-O 3.23Å; S855-I868 WeakPolarHBondContact CB-O 3.33Å; S855-G870 PolarHBondContact OG-N 3.42Å
856	V	95.5	Very high	92.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.1	175.3	-170.7	0	0	0	0	109	I670 L672 V752 F845 L858 Y867 I868	I670-V856 HydrophobicContact CD1-CG1 3.9Å; I670-V856 HydrophobicContact CG1-CG1 4.03Å; L672-V856 HydrophobicContact CD2-CB 4.3Å; L672-V856 HydrophobicContact CD2-CG1 4.08Å; L672-V856 HydrophobicContact CD2-CG2 3.8Å; V752-V856 HydrophobicContact CG1-CG2 4.23Å; F845-V856 HydrophobicContact CE1-CG2 4.04Å; F845-V856 HydrophobicContact CZ-CG2 4.03Å; V856-L858 HydrophobicContact CG1-CD1 4.41Å; V856-L858 HydrophobicContact CG1-CD2 3.58Å; V856-L858 HydrophobicContact CG1-CG 3.84Å; V856-Y867 WeakPolarHBondContact O-CA 3.32Å; V856-Y867 WeakPolarHBondContact O-CD2 3.32Å; V856-I868 HydrophobicContact CB-CB 4.02Å; V856-I868 HydrophobicContact CB-CD1 4.09Å; V856-I868 HydrophobicContact CB-CG1 4.27Å; V856-I868 HydrophobicContact CG2-CB 4.36Å; V856-I868 HydrophobicContact CG2-CD1 4.27Å; V856-I868 PolarHBondContact N-O 3.27Å; V856-I868 PolarHBondContact O-N 2.86Å
857	F	96.1	Very high	93.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	110.5	175.4	-160.2	-72.8	0	0	0	109.3	F671 I673 F859 Y867 M912 L914 L918 L960 I964	F671-F857 PolarHBondContact N-O 3.35Å; F671-F857 PolarHBondContact O-N 2.94Å; I673-F857 HydrophobicContact CD1-CB 4.03Å; I673-F857 HydrophobicContact CD1-CD2 4.15Å; I673-F857 HydrophobicContact CG1-CB 4.44Å; F857-F859 HydrophobicContact CD1-CD2 4.05Å; F857-F859 AromaticContact CD1-CE2 3.68Å; F857-F859 HydrophobicContact CD1-CE2 3.68Å; F857-F859 AromaticContact CD1-CZ 4Å; F857-F859 HydrophobicContact CD1-CZ 4Å; F857-F859 HydrophobicContact CE1-CD1 4.26Å; F857-F859 HydrophobicContact CE1-CD2 4.12Å; F857-F859 AromaticContact CE1-CE1 3.77Å; F857-F859 HydrophobicContact CE1-CE1 3.77Å; F857-F859 AromaticContact CE1-CE2 3.61Å; F857-F859 HydrophobicContact CE1-CE2 3.61Å; F857-F859 HydrophobicContact CE1-CG 4.43Å; F857-F859 AromaticContact CE1-CZ 3.41Å; F857-F859 HydrophobicContact CE1-CZ 3.41Å; F857-F859 VanDerWaalsContact CE1-CZ 3.41Å; F857-F859 HydrophobicContact CZ-CZ 4.33Å; F857-Y867 HydrophobicContact CB-CD2 4.37Å; F857-Y867 AromaticContact CD2-CD2 3.64Å; F857-Y867 HydrophobicContact CD2-CD2 3.64Å; F857-Y867 HydrophobicContact CD2-CE2 4.16Å; F857-Y867 HydrophobicContact CE2-CD2 4.35Å; F857-Y867 HydrophobicContact CG-CD2 4.36Å; F857-M912 HydrophobicContact CD1-CE 3.99Å; F857-M912 HydrophobicContact CD2-CE 4.1Å; F857-M912 HydrophobicContact CD2-SD 4.27Å; F857-M912 HydrophobicContact CE1-CE 3.57Å; F857-M912 HydrophobicContact CE1-SD 4.31Å; F857-M912 HydrophobicContact CE2-CE 3.72Å; F857-M912 HydrophobicContact CE2-SD 3.53Å; F857-M912 VanDerWaalsContact CE2-SD 3.53Å; F857-M912 HydrophobicContact CG-CE 4.23Å; F857-M912 HydrophobicContact CZ-CE 3.44Å; F857-M912 VanDerWaalsContact CZ-CE 3.44Å; F857-M912 HydrophobicContact CZ-SD 3.55Å; F857-M912 VanDerWaalsContact CZ-SD 3.55Å; F857-L914 HydrophobicContact CE1-CD1 3.97Å; F857-L914 HydrophobicContact CZ-CD1 3.95Å; F857-L914 HydrophobicContact CZ-CD2 4.11Å; F857-L918 HydrophobicContact CE1-CD2 4.45Å; F857-L918 HydrophobicContact CZ-CD2 3.86Å; F857-L960 HydrophobicContact CB-CD1 4.39Å; F857-L960 HydrophobicContact CD2-CD2 4.43Å; F857-L960 HydrophobicContact CE2-CD2 4.38Å; F857-L960 HydrophobicContact CG-CD1 4.38Å; F857-I964 HydrophobicContact CE2-CD1 4.24Å
858	L	95.1	Very high	93.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	120.4	-176	-56.6	176.2	0	0	0	110.1	M668 I670 W756 V856 G865 Y866 F1007	M668-L858 HydrophobicContact CE-CB 4.28Å; M668-L858 HydrophobicContact CE-CD1 4.3Å; M668-L858 HydrophobicContact CE-CD2 3.74Å; M668-L858 HydrophobicContact CE-CG 4.33Å; I670-L858 HydrophobicContact CB-CD2 3.59Å; I670-L858 HydrophobicContact CD1-CD2 3.59Å; I670-L858 HydrophobicContact CG1-CD2 3.45Å; I670-L858 VanDerWaalsContact CG1-CD2 3.45Å; W756-L858 HydrophobicContact CH2-CD1 3.5Å; W756-L858 VanDerWaalsContact CH2-CD1 3.5Å; W756-L858 HydrophobicContact CH2-CD2 3.96Å; W756-L858 HydrophobicContact CH2-CG 4.41Å; W756-L858 HydrophobicContact CZ2-CD1 4.36Å; W756-L858 HydrophobicContact CZ2-CD2 4.11Å; W756-L858 HydrophobicContact CZ3-CD1 3.99Å; V856-L858 HydrophobicContact CG1-CD1 4.41Å; V856-L858 HydrophobicContact CG1-CD2 3.58Å; V856-L858 HydrophobicContact CG1-CG 3.84Å; L858-G865 CarbonylContact O-C 3.59Å; L858-G865 WeakPolarHBondContact O-CA 3.13Å; L858-Y866 WeakPolarHBondContact CB-O 3.23Å; L858-Y866 PolarHBondContact N-O 3.38Å; L858-Y866 PolarHBondContact O-N 3.34Å; L858-F1007 HydrophobicContact CD1-CB 4.1Å
859	F	94.7	Very high	93.4	Very high	3 Å²	3	11.1 Å²	11.1	1%	0.013	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	94.1	162.3	-66.2	-85.4	0	0	0	109	D669 F857 Q861 L914 L918 R919 F922	D669-F859 HydrophobicContact CB-CB 4.09Å; D669-F859 HydrophobicContact CB-CD2 4.19Å; D669-F859 PolarHBondContact N-O 3.41Å; D669-F859 PolarHBondContact O-N 3.43Å; F857-F859 HydrophobicContact CD1-CD2 4.05Å; F857-F859 AromaticContact CD1-CE2 3.68Å; F857-F859 HydrophobicContact CD1-CE2 3.68Å; F857-F859 AromaticContact CD1-CZ 4Å; F857-F859 HydrophobicContact CD1-CZ 4Å; F857-F859 HydrophobicContact CE1-CD1 4.26Å; F857-F859 HydrophobicContact CE1-CD2 4.12Å; F857-F859 AromaticContact CE1-CE1 3.77Å; F857-F859 HydrophobicContact CE1-CE1 3.77Å; F857-F859 AromaticContact CE1-CE2 3.61Å; F857-F859 HydrophobicContact CE1-CE2 3.61Å; F857-F859 HydrophobicContact CE1-CG 4.43Å; F857-F859 AromaticContact CE1-CZ 3.41Å; F857-F859 HydrophobicContact CE1-CZ 3.41Å; F857-F859 VanDerWaalsContact CE1-CZ 3.41Å; F857-F859 HydrophobicContact CZ-CZ 4.33Å; F859-Q861 VanDerWaalsContact C-N 3.29Å; F859-L914 HydrophobicContact CD1-CD1 3.89Å; F859-L914 HydrophobicContact CE1-CD1 3.62Å; F859-L918 HydrophobicContact CE1-CD2 4.39Å; F859-L918 HydrophobicContact CZ-CD2 4.38Å; F859-R919 VanDerWaalsContact CB-NH1 3.34Å; F859-R919 VanDerWaalsContact CG-NH1 3.25Å; F859-F922 HydrophobicContact CE2-CD1 4.22Å; F859-F922 AromaticContact CE2-CD2 3.86Å; F859-F922 HydrophobicContact CE2-CD2 3.86Å; F859-F922 HydrophobicContact CE2-CE1 4.28Å; F859-F922 AromaticContact CE2-CE2 3.9Å; F859-F922 HydrophobicContact CE2-CE2 3.9Å; F859-F922 HydrophobicContact CE2-CG 4.02Å; F859-F922 HydrophobicContact CE2-CZ 4.12Å; F859-F922 HydrophobicContact CZ-CB 4.43Å; F859-F922 HydrophobicContact CZ-CD2 4.22Å; F859-F922 HydrophobicContact CZ-CG 4.18Å
860	A	92.7	Very high	93.4	Very high	17 Å²	17	11.1 Å²	11.1	14%	0.14	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	-32.6	170.6	0	0	0	0	0	111.1	F864 Y866 T1010	A860-F864 HydrophobicContact CB-CD1 4.03Å; A860-F864 HydrophobicContact CB-CE1 4.16Å; A860-F864 PolarHBondContact N-O 3.15Å; A860-F864 VanDerWaalsContact N-O 3.15Å; A860-Y866 HydrophobicContact CB-CD2 4.27Å; A860-Y866 HydrophobicContact CB-CE2 3.97Å; A860-T1010 HydrophobicContact CB-CG2 4.16Å
861	Q	92.2	Very high	93.4	Very high	40 Å²	40	14 Å²	14	19%	0.187	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	-179.9	165.1	-63.9	89.2	45.3	0	0	109.9	R585 F859 N863 F864	R585-Q861 HydrophobicContact CB-CB 4.3Å; R585-Q861 HydrophobicContact CB-CG 4.35Å; F859-Q861 VanDerWaalsContact C-N 3.29Å; Q861-N863 PolarHBondContact O-N 2.92Å; Q861-F864 CarbonylContact C-O 3.56Å; Q861-F864 HydrophobicContact CB-CB 4.38Å; Q861-F864 PolarHBondContact N-O 2.9Å
862	S	90.6	Very high	93.3	Very high	34 Å²	34	10.7 Å²	10.7	24%	0.238	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-43.1	-177.1	45.4	0	0	0	0	113.6	A586 R919	A586-S862 WeakPolarHBondContact CA-OG 3.49Å; A586-S862 PolarHBondContact O-OG 3.37Å; S862-R919 VanDerWaalsContact O-CB 3.32Å; S862-R919 WeakPolarHBondContact O-CB 3.47Å; S862-R919 WeakPolarHBondContact O-CG 3.35Å
863	N	92.7	Very high	92.8	Very high	26 Å²	26	11.2 Å²	11.2	14%	0.139	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	18	-177.5	-61	-8.7	0	0	0	112	R585 G587 Q861 L914	R585-N863 CarbonylContact O-C 3.5Å; R585-N863 WeakPolarHBondContact O-CA 3.26Å; R585-N863 WeakPolarHBondContact O-CB 3.37Å; R585-N863 PolarHBondContact O-N 3.38Å; G587-N863 WeakPolarHBondContact CA-ND2 3.25Å; Q861-N863 PolarHBondContact O-N 2.92Å; N863-L914 PolarHBondContact O-N 3.41Å
864	F	94	Very high	92.3	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.009	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	144.7	-178	172.6	-85.1	0	0	0	111.3	R585 A860 Q861 Y866 R911 M912	R585-F864 HydrophobicContact CB-CB 3.62Å; R585-F864 HydrophobicContact CB-CG 4.1Å; R585-F864 HydrophobicContact CG-CB 3.7Å; R585-F864 HydrophobicContact CG-CD1 4.38Å; R585-F864 HydrophobicContact CG-CD2 3.83Å; R585-F864 HydrophobicContact CG-CG 3.71Å; A860-F864 HydrophobicContact CB-CD1 4.03Å; A860-F864 HydrophobicContact CB-CE1 4.16Å; A860-F864 PolarHBondContact N-O 3.15Å; A860-F864 VanDerWaalsContact N-O 3.15Å; Q861-F864 CarbonylContact C-O 3.56Å; Q861-F864 HydrophobicContact CB-CB 4.38Å; Q861-F864 PolarHBondContact N-O 2.9Å; F864-Y866 AromaticContact CE1-CE2 3.95Å; F864-Y866 HydrophobicContact CE1-CE2 3.95Å; F864-Y866 AromaticContact CE1-CZ 3.96Å; F864-Y866 HydrophobicContact CZ-CE1 4.45Å; F864-Y866 HydrophobicContact CZ-CE2 4.45Å; F864-R911 HydrophobicContact CE2-CG 3.62Å; F864-R911 VanDerWaalsContact CE2-NE 3.32Å; F864-R911 HydrophobicContact CZ-CG 3.86Å; F864-R911 VanDerWaalsContact CZ-CZ 3.47Å; F864-M912 VanDerWaalsContact CA-O 3.3Å; F864-M912 WeakPolarHBondContact CA-O 3.47Å; F864-M912 WeakPolarHBondContact CD2-O 3.15Å
865	G	94.4	Very high	91.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	-168.6	-173.2	0	0	0	0	0	114.6	L858 M912	L858-G865 CarbonylContact O-C 3.59Å; L858-G865 WeakPolarHBondContact O-CA 3.13Å; G865-M912 PolarHBondContact N-O 2.83Å; G865-M912 PolarHBondContact O-N 2.94Å
866	Y	95.4	Very high	91.2	Very high	9 Å²	9	21.3 Å²	21.3	4%	0.035	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	143.9	177.2	-54.2	-90	0	0	0	109.2	L858 A860 F864 Y910 R911 M912 S1006 F1007 D1009 T1010	L858-Y866 WeakPolarHBondContact CB-O 3.23Å; L858-Y866 PolarHBondContact N-O 3.38Å; L858-Y866 PolarHBondContact O-N 3.34Å; A860-Y866 HydrophobicContact CB-CD2 4.27Å; A860-Y866 HydrophobicContact CB-CE2 3.97Å; F864-Y866 AromaticContact CE1-CE2 3.95Å; F864-Y866 HydrophobicContact CE1-CE2 3.95Å; F864-Y866 AromaticContact CE1-CZ 3.96Å; F864-Y866 HydrophobicContact CZ-CE1 4.45Å; F864-Y866 HydrophobicContact CZ-CE2 4.45Å; Y866-Y910 CarbonylContact C-O 3.58Å; Y866-Y910 WeakPolarHBondContact CA-O 3.4Å; Y866-R911 HydrophobicContact CD1-CB 4.35Å; Y866-R911 HydrophobicContact CD1-CG 4.41Å; Y866-R911 HydrophobicContact CE1-CG 4.25Å; Y866-M912 VanDerWaalsContact C-CE 3.41Å; Y866-M912 VanDerWaalsContact O-CE 3.24Å; Y866-M912 WeakPolarHBondContact O-CE 3.37Å; Y866-S1006 WeakPolarHBondContact CD1-OG 3.42Å; Y866-S1006 VanDerWaalsContact CE1-C 3.44Å; Y866-S1006 VanDerWaalsContact CE1-O 3.23Å; Y866-S1006 WeakPolarHBondContact CE1-O 3.34Å; Y866-S1006 VanDerWaalsContact CE1-OG 3.24Å; Y866-S1006 WeakPolarHBondContact CE1-OG 3.29Å; Y866-F1007 HydrophobicContact CD1-CB 4.14Å; Y866-F1007 HydrophobicContact CD2-CB 4.44Å; Y866-F1007 HydrophobicContact CG-CB 3.86Å; Y866-D1009 VanDerWaalsContact OH-CB 3.31Å; Y866-D1009 WeakPolarHBondContact OH-CB 3.45Å; Y866-D1009 PolarHBondContact OH-OD2 3.46Å; Y866-T1010 HydrophobicContact CD2-CG2 3.82Å; Y866-T1010 HydrophobicContact CE2-CG2 3.65Å
867	Y	95.3	Very high	90.8	Very high	1 Å²	1	22 Å²	22	0%	0.004	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.1	-179.9	176.3	-109	0	0	0	110.1	I673 S855 V856 F857 H869 I901 Y910 M912 I964 F999	I673-Y867 HydrophobicContact CD1-CE2 4.12Å; S855-Y867 PolarHBondContact OG-OH 2.89Å; V856-Y867 WeakPolarHBondContact O-CA 3.32Å; V856-Y867 WeakPolarHBondContact O-CD2 3.32Å; F857-Y867 HydrophobicContact CB-CD2 4.37Å; F857-Y867 AromaticContact CD2-CD2 3.64Å; F857-Y867 HydrophobicContact CD2-CD2 3.64Å; F857-Y867 HydrophobicContact CD2-CE2 4.16Å; F857-Y867 HydrophobicContact CE2-CD2 4.35Å; F857-Y867 HydrophobicContact CG-CD2 4.36Å; Y867-H869 HydrophobicContact CD1-CB 4.35Å; Y867-H869 HydrophobicContact CE1-CB 3.63Å; Y867-H869 AromaticContact CE1-ND1 3.61Å; Y867-H869 AromaticContact CZ-ND1 3.65Å; Y867-H869 PolarHBondContact OH-ND1 3.19Å; Y867-I901 HydrophobicContact CD1-CD1 3.76Å; Y867-I901 HydrophobicContact CD1-CG1 4.38Å; Y867-I901 HydrophobicContact CE1-CD1 3.6Å; Y867-I901 HydrophobicContact CE1-CG1 3.8Å; Y867-Y910 AromaticContact CD1-CD2 3.94Å; Y867-Y910 HydrophobicContact CD1-CD2 3.94Å; Y867-Y910 PolarHBondContact N-O 2.82Å; Y867-Y910 PolarHBondContact O-N 2.92Å; Y867-M912 WeakPolarHBondContact CB-SD 3.28Å; Y867-M912 HydrophobicContact CG-SD 4.24Å; Y867-I964 HydrophobicContact CD1-CD1 4.42Å; Y867-I964 HydrophobicContact CD2-CD1 4.33Å; Y867-I964 HydrophobicContact CE1-CD1 4.08Å; Y867-I964 HydrophobicContact CE1-CG2 4.37Å; Y867-I964 HydrophobicContact CE2-CD1 4.02Å; Y867-I964 HydrophobicContact CE2-CG1 4.15Å; Y867-F999 HydrophobicContact CD1-CD1 4.43Å; Y867-F999 AromaticContact CD1-CE1 3.92Å; Y867-F999 HydrophobicContact CD1-CE1 3.92Å; Y867-F999 HydrophobicContact CG-CE1 4.18Å
868	I	94.8	Very high	90.2	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	108.1	174.5	-54.1	174.6	0	0	0	105.9	F845 A846 C849 S855 V856 G870 H908 T909 F1007	F845-I868 HydrophobicContact CD1-CD1 3.95Å; F845-I868 HydrophobicContact CE1-CD1 3.66Å; A846-I868 HydrophobicContact CB-CG2 3.97Å; C849-I868 HydrophobicContact CB-CG2 3.98Å; S855-I868 CarbonylContact C-O 3.51Å; S855-I868 WeakPolarHBondContact CA-O 3.23Å; S855-I868 WeakPolarHBondContact CB-O 3.33Å; V856-I868 HydrophobicContact CB-CB 4.02Å; V856-I868 HydrophobicContact CB-CD1 4.09Å; V856-I868 HydrophobicContact CB-CG1 4.27Å; V856-I868 HydrophobicContact CG2-CB 4.36Å; V856-I868 HydrophobicContact CG2-CD1 4.27Å; V856-I868 PolarHBondContact N-O 3.27Å; V856-I868 PolarHBondContact O-N 2.86Å; I868-G870 PolarHBondContact O-N 3.4Å; I868-H908 CarbonylContact C-O 3.59Å; I868-H908 WeakPolarHBondContact CA-O 3.24Å; I868-T909 HydrophobicContact CG1-CG2 4.35Å; I868-F1007 HydrophobicContact CD1-CD1 3.87Å; I868-F1007 HydrophobicContact CD1-CD2 4.1Å; I868-F1007 HydrophobicContact CD1-CE1 3.89Å; I868-F1007 HydrophobicContact CD1-CE2 4.13Å; I868-F1007 HydrophobicContact CD1-CG 3.97Å; I868-F1007 HydrophobicContact CD1-CZ 4.02Å; I868-F1007 HydrophobicContact CG1-CD1 4.18Å; I868-F1007 HydrophobicContact CG1-CE1 4.46Å; I868-F1007 HydrophobicContact CG1-CG 4.49Å
869	H	92.9	Very high	89.6	Confident	15 Å²	15	25.8 Å²	25.8	7%	0.069	14%	0.138	C	C	.	.			trans	-73.3	105.5	175.7	-166.2	62.6	0	0	0	109.4	Y867 H871 R899 G900 I901 H908 Y910	Y867-H869 HydrophobicContact CD1-CB 4.35Å; Y867-H869 HydrophobicContact CE1-CB 3.63Å; Y867-H869 AromaticContact CE1-ND1 3.61Å; Y867-H869 AromaticContact CZ-ND1 3.65Å; Y867-H869 PolarHBondContact OH-ND1 3.19Å; H869-H871 VanDerWaalsContact CE1-CB 3.44Å; H869-H871 WeakPolarHBondContact CE1-CB 3.47Å; H869-H871 WeakPolarHBondContact NE2-CB 3.15Å; H869-R899 PolarHBondContact CD2-O 3.18Å; H869-R899 VanDerWaalsContact CD2-O 3.28Å; H869-G900 PolarHBondContact CD2-O 3.31Å; H869-G900 PolarHBondContact NE2-O 3.13Å; H869-I901 HydrophobicContact CB-CG1 4Å; H869-H908 PolarHBondContact N-O 2.98Å; H869-Y910 HydrophobicContact CB-CE2 4.17Å
870	G	92.1	Very high	89.1	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.			trans	-111.5	28.9	176	0	0	0	0	0	112.8	C849 N853 V854 S855 I868 S872	C849-G870 VanDerWaalsContact C-CA 3.5Å; C849-G870 WeakPolarHBondContact O-CA 2.97Å; C849-G870 VanDerWaalsContact O-O 3.05Å; N853-G870 CarbonylContact C-O 3.46Å; N853-G870 WeakPolarHBondContact CA-O 3.37Å; V854-G870 PolarHBondContact N-O 2.88Å; V854-G870 WeakPolarHBondContact O-CA 3.29Å; S855-G870 PolarHBondContact OG-N 3.42Å; I868-G870 PolarHBondContact O-N 3.4Å; G870-S872 PolarHBondContact O-N 3.42Å
871	H	90	Very high	88.7	Confident	63 Å²	63	37.1 Å²	37.1	29%	0.292	20%	0.195	S	C	.	.			trans	-74.6	118.3	170.6	-175.1	-88	0	0	0	108.3	W675 H869	W675-H871 HydrophobicContact CD2-CB 4.32Å; W675-H871 AromaticContact CD2-CD2 3.55Å; W675-H871 AromaticContact CE3-CD2 3.55Å; W675-H871 HydrophobicContact CG-CB 4.2Å; W675-H871 AromaticContact CG-CD2 3.6Å; H869-H871 VanDerWaalsContact CE1-CB 3.44Å; H869-H871 WeakPolarHBondContact CE1-CB 3.47Å; H869-H871 WeakPolarHBondContact NE2-CB 3.15Å
872	S	86.5	Confident	88.5	Confident	4 Å²	4	37.2 Å²	37.2	3%	0.028	21%	0.207	C	C	.	.			trans	-59.1	139.8	178.1	60.1	0	0	0	0	110.1	S850 N853 G870 T874 G875 R876	S850-S872 VanDerWaalsContact O-CA 3.3Å; S850-S872 WeakPolarHBondContact O-CA 3.36Å; S850-S872 WeakPolarHBondContact O-CB 3.48Å; N853-S872 PolarHBondContact OD1-N 2.94Å; N853-S872 PolarHBondContact OD1-OG 3.4Å; G870-S872 PolarHBondContact O-N 3.42Å; S872-T874 PolarHBondContact O-N 3.25Å; S872-T874 VanDerWaalsContact O-N 3.08Å; S872-G875 PolarHBondContact O-N 3.36Å; S872-G875 VanDerWaalsContact OG-C 3.24Å; S872-G875 VanDerWaalsContact OG-CA 3.29Å; S872-G875 WeakPolarHBondContact OG-CA 3.41Å; S872-G875 PolarHBondContact OG-N 2.9Å; S872-G875 VanDerWaalsContact OG-N 3.14Å; S872-R876 PolarHBondContact OG-N 2.97Å; S872-R876 PolarHBondContact OG-O 3.3Å
873	P	81.6	Confident	88.2	Confident	21 Å²	21	36.1 Å²	36.1	14%	0.136	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-30.8	178.1	-32.7	38.7	0	0	0	114.6	A896 P897 R899	P873-A896 HydrophobicContact CB-CB 3.67Å; P873-P897 HydrophobicContact CB-CG 4.41Å; P873-P897 WeakPolarHBondContact CB-O 3.36Å; P873-P897 WeakPolarHBondContact O-CD 3.3Å; P873-P897 WeakPolarHBondContact O-CG 3.26Å; P873-R899 HydrophobicContact CG-CG 3.64Å
874	T	81.2	Confident	87.7	Confident	55 Å²	55	37.8 Å²	37.8	34%	0.337	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-4.5	179.2	56.7	0	0	0	0	113.3	S872 R876 M887	S872-T874 PolarHBondContact O-N 3.25Å; S872-T874 VanDerWaalsContact O-N 3.08Å; T874-R876 PolarHBondContact O-N 3.39Å; T874-R876 PolarHBondContact OG1-O 2.73Å; T874-M887 HydrophobicContact CG2-CB 3.9Å; T874-M887 HydrophobicContact CG2-CG 3.79Å; T874-M887 PolarHBondContact OG1-SD 2.96Å; T874-M887 VanDerWaalsContact OG1-SD 3.33Å
875	G	83.1	Confident	87.4	Confident	16 Å²	16	41.8 Å²	41.8	17%	0.165	23%	0.234	C	C	.	.	S	Bend	trans	71.1	9.1	-179.1	0	0	0	0	0	115.2	P677 N853 S872	P677-G875 WeakPolarHBondContact CD-O 3.26Å; N853-G875 PolarHBondContact ND2-O 3.46Å; S872-G875 PolarHBondContact O-N 3.36Å; S872-G875 VanDerWaalsContact OG-C 3.24Å; S872-G875 VanDerWaalsContact OG-CA 3.29Å; S872-G875 WeakPolarHBondContact OG-CA 3.41Å; S872-G875 PolarHBondContact OG-N 2.9Å; S872-G875 VanDerWaalsContact OG-N 3.14Å
876	R	85.2	Confident	86.9	Confident	141 Å²	141	47.9 Å²	47.9	53%	0.532	26%	0.263	S	S	.	.			trans	-143.2	146.6	179.3	-68.7	-170.2	177.2	176.5	-1.5	111.6	P677 S872 T874 M887	P677-R876 HydrophobicContact CG-CG 4.09Å; S872-R876 PolarHBondContact OG-N 2.97Å; S872-R876 PolarHBondContact OG-O 3.3Å; T874-R876 PolarHBondContact O-N 3.39Å; T874-R876 PolarHBondContact OG1-O 2.73Å; R876-M887 HydrophobicContact CB-CE 3.77Å; R876-M887 WeakPolarHBondContact O-CE 3.3Å
877	S	85.9	Confident	86.4	Confident	15 Å²	15	49.2 Å²	49.2	11%	0.105	27%	0.27	C	S	.	.			trans	-133.5	-24.8	175.3	56.2	0	0	0	0	113.8	E676 R748 V851 A852 N853 V879	E676-S877 PolarHBondContact OE1-N 2.65Å; E676-S877 PolarHBondContact OE2-N 2.67Å; E676-S877 PolarHBondContact OE2-OG 3.11Å; R748-S877 WeakPolarHBondContact CD-OG 3.2Å; R748-S877 PolarHBondContact NE-OG 3.34Å; R748-S877 PolarHBondContact NH1-OG 3.31Å; R748-S877 VanDerWaalsContact NH1-OG 3.12Å; V851-S877 VanDerWaalsContact O-CB 3.26Å; V851-S877 WeakPolarHBondContact O-CB 3.39Å; A852-S877 PolarHBondContact O-OG 3.12Å; N853-S877 WeakPolarHBondContact CB-OG 3.49Å; S877-V879 PolarHBondContact O-N 3.1Å
878	D	83.4	Confident	85.8	Confident	32 Å²	32	53.3 Å²	53.3	17%	0.171	29%	0.291	C	S	.	.			trans	-79.7	64.5	178.9	-87.2	-19.9	0	0	0	111.2	E676 S745 R748	E676-D878 HydrophobicContact CG-CB 4.3Å; E676-D878 PolarHBondContact OE1-N 3.03Å; S745-D878 VanDerWaalsContact CB-OD1 3.22Å; S745-D878 WeakPolarHBondContact CB-OD1 3.11Å; S745-D878 WeakPolarHBondContact CB-OD2 3.37Å; S745-D878 PolarHBondContact N-OD2 3.5Å; R748-D878 WeakPolarHBondContact CD-OD1 3.24Å; R748-D878 IonicContact CZ-OD2 2.97Å; R748-D878 IonicContact NE-OD1 3.95Å; R748-D878 PolarHBondContact NE-OD1 3.32Å; R748-D878 IonicContact NE-OD2 3.74Å; R748-D878 PolarHBondContact NE-OD2 3.35Å; R748-D878 IonicContact NH2-OD2 3.97Å
879	V	83.5	Confident	85.4	Confident	47 Å²	47	55.8 Å²	55.8	29%	0.285	31%	0.308	S	S	.	.			trans	-122.4	164.4	177.4	-62.8	0	0	0	0	111	S877 I884 M887	S877-V879 PolarHBondContact O-N 3.1Å; V879-I884 HydrophobicContact CG2-CG1 3.64Å; V879-M887 HydrophobicContact CB-CE 4.25Å; V879-M887 HydrophobicContact CG1-CE 3.55Å; V879-M887 HydrophobicContact CG2-CE 3.7Å; V879-M887 HydrophobicContact CG2-SD 3.88Å
880	D	84.6	Confident	85	Confident	118 Å²	118	57.4 Å²	57.4	63%	0.631	32%	0.317	S	S	*	.			trans	-72.2	171.4	173.6	67	-26.3	0	0	0	111.5	G882 G883 I884	D880-G882 PolarHBondContact O-N 3.19Å; D880-G882 VanDerWaalsContact O-N 3.13Å; D880-G883 WeakPolarHBondContact O-CA 3.38Å; D880-G883 PolarHBondContact O-N 3.04Å; D880-G883 PolarHBondContact OD1-N 3.18Å; D880-I884 PolarHBondContact O-N 2.9Å
881	L	83.5	Confident	84.6	Confident	139 Å²	139	60.1 Å²	60.1	73%	0.728	33%	0.33	S	S	*	.	H	α-helix	trans	-54.5	-35.1	179.3	-178.8	63.5	0	0	0	112.4	T885	L881-T885 WeakPolarHBondContact O-CB 3.44Å; L881-T885 PolarHBondContact O-N 3Å; L881-T885 PolarHBondContact O-OG1 3.42Å
882	G	86.9	Confident	84.3	Confident	43 Å²	43	64.1 Å²	64.1	44%	0.443	35%	0.353	S	S	.	.	H	α-helix	trans	-62.7	-48.6	174.1	0	0	0	0	0	112.1	D880 T885 Q886	D880-G882 PolarHBondContact O-N 3.19Å; D880-G882 VanDerWaalsContact O-N 3.13Å; G882-T885 PolarHBondContact O-N 3.26Å; G882-Q886 PolarHBondContact O-N 2.97Å
883	G	84.2	Confident	84.3	Confident	11 Å²	11	70 Å²	70	11%	0.113	38%	0.38	C	S	.	.	H	α-helix	trans	-58.2	-46.6	174.1	0	0	0	0	0	113.1	D880 T885 Q886 M887	D880-G883 WeakPolarHBondContact O-CA 3.38Å; D880-G883 PolarHBondContact O-N 3.04Å; D880-G883 PolarHBondContact OD1-N 3.18Å; G883-T885 PolarHBondContact O-N 3.24Å; G883-Q886 WeakPolarHBondContact O-CB 3.12Å; G883-Q886 PolarHBondContact O-N 2.94Å; G883-M887 VanDerWaalsContact O-CG 3.25Å; G883-M887 WeakPolarHBondContact O-CG 3.35Å; G883-M887 PolarHBondContact O-N 3Å
884	I	83.4	Confident	84.2	Confident	61 Å²	61	72 Å²	72	31%	0.313	41%	0.405	S	S	.	.	H	α-helix	trans	-60	-47.5	178	-62.1	-175.7	0	0	0	110.5	V879 D880 Q886 M887 L888	V879-I884 HydrophobicContact CG2-CG1 3.64Å; D880-I884 PolarHBondContact O-N 2.9Å; I884-Q886 VanDerWaalsContact C-N 3.27Å; I884-Q886 PolarHBondContact O-N 3.22Å; I884-M887 PolarHBondContact O-N 2.92Å; I884-M887 VanDerWaalsContact O-N 3.14Å; I884-L888 HydrophobicContact CG2-CD1 3.84Å; I884-L888 HydrophobicContact CG2-CG 4.25Å; I884-L888 WeakPolarHBondContact O-CG 3.46Å; I884-L888 PolarHBondContact O-N 3.09Å
885	T	86.6	Confident	84.3	Confident	85 Å²	85	75 Å²	75	52%	0.521	42%	0.418	S	S	.	.	H	α-helix	trans	-60.3	-39.8	179.9	-54.1	0	0	0	0	111.3	L881 G882 G883 S889	L881-T885 WeakPolarHBondContact O-CB 3.44Å; L881-T885 PolarHBondContact O-N 3Å; L881-T885 PolarHBondContact O-OG1 3.42Å; G882-T885 PolarHBondContact O-N 3.26Å; G883-T885 PolarHBondContact O-N 3.24Å; T885-S889 WeakPolarHBondContact O-CB 3.35Å; T885-S889 PolarHBondContact O-N 3.28Å
886	Q	85.7	Confident	84.1	Confident	128 Å²	128	74.9 Å²	74.9	60%	0.598	42%	0.416	S	S	*	.	H	α-helix	trans	-64	-44.8	175.3	-175.4	-179.3	2.4	0	0	111.8	G882 G883 I884 S889 I890	G882-Q886 PolarHBondContact O-N 2.97Å; G883-Q886 WeakPolarHBondContact O-CB 3.12Å; G883-Q886 PolarHBondContact O-N 2.94Å; I884-Q886 VanDerWaalsContact C-N 3.27Å; I884-Q886 PolarHBondContact O-N 3.22Å; Q886-S889 WeakPolarHBondContact O-CB 3.19Å; Q886-S889 PolarHBondContact O-N 2.84Å; Q886-I890 HydrophobicContact CG-CD1 4.08Å; Q886-I890 VanDerWaalsContact O-CG1 3.28Å; Q886-I890 WeakPolarHBondContact O-CG1 3.5Å; Q886-I890 PolarHBondContact O-N 3.45Å
887	M	83.7	Confident	83.8	Confident	38 Å²	38	71.2 Å²	71.2	19%	0.187	41%	0.41	C	S	.	.	H	α-helix	trans	-61.9	-45.2	178.6	-66.2	173.4	177.1	0	0	111.7	T874 R876 V879 G883 I884 S889 I890 E891	T874-M887 HydrophobicContact CG2-CB 3.9Å; T874-M887 HydrophobicContact CG2-CG 3.79Å; T874-M887 PolarHBondContact OG1-SD 2.96Å; T874-M887 VanDerWaalsContact OG1-SD 3.33Å; R876-M887 HydrophobicContact CB-CE 3.77Å; R876-M887 WeakPolarHBondContact O-CE 3.3Å; V879-M887 HydrophobicContact CB-CE 4.25Å; V879-M887 HydrophobicContact CG1-CE 3.55Å; V879-M887 HydrophobicContact CG2-CE 3.7Å; V879-M887 HydrophobicContact CG2-SD 3.88Å; G883-M887 VanDerWaalsContact O-CG 3.25Å; G883-M887 WeakPolarHBondContact O-CG 3.35Å; G883-M887 PolarHBondContact O-N 3Å; I884-M887 PolarHBondContact O-N 2.92Å; I884-M887 VanDerWaalsContact O-N 3.14Å; M887-S889 VanDerWaalsContact C-N 3.29Å; M887-S889 PolarHBondContact O-N 2.81Å; M887-I890 PolarHBondContact O-N 3.41Å; M887-E891 PolarHBondContact O-N 3.13Å
888	L	83.1	Confident	83.6	Confident	86 Å²	86	75.1 Å²	75.1	45%	0.45	43%	0.425	S	S	.	.	H	α-helix	trans	-63.8	-34.9	176.3	-67.2	173.9	0	0	0	112.1	I884 E891 N892	I884-L888 HydrophobicContact CG2-CD1 3.84Å; I884-L888 HydrophobicContact CG2-CG 4.25Å; I884-L888 WeakPolarHBondContact O-CG 3.46Å; I884-L888 PolarHBondContact O-N 3.09Å; L888-E891 PolarHBondContact O-N 3.27Å; L888-N892 WeakPolarHBondContact O-CB 3.25Å; L888-N892 PolarHBondContact O-N 2.85Å
889	S	85.9	Confident	83.6	Confident	53 Å²	53	76 Å²	76	37%	0.371	43%	0.426	S	S	.	.	H	α-helix	trans	-65.2	-45.7	173.7	-168.3	0	0	0	0	111.9	T885 Q886 M887 E891 N892 E893	T885-S889 WeakPolarHBondContact O-CB 3.35Å; T885-S889 PolarHBondContact O-N 3.28Å; Q886-S889 WeakPolarHBondContact O-CB 3.19Å; Q886-S889 PolarHBondContact O-N 2.84Å; M887-S889 VanDerWaalsContact C-N 3.29Å; M887-S889 PolarHBondContact O-N 2.81Å; S889-E891 VanDerWaalsContact C-N 3.25Å; S889-E891 PolarHBondContact O-N 3.48Å; S889-N892 PolarHBondContact O-N 2.88Å; S889-E893 WeakPolarHBondContact O-CG 3.44Å; S889-E893 PolarHBondContact O-N 3.34Å
890	I	85.4	Confident	83.7	Confident	49 Å²	49	74 Å²	74	25%	0.251	42%	0.415	S	S	.	.	H	α-helix	trans	-62.1	-37.5	177.8	-66	166.7	0	0	0	110.5	Q886 M887 G894 I895 A896	Q886-I890 HydrophobicContact CG-CD1 4.08Å; Q886-I890 VanDerWaalsContact O-CG1 3.28Å; Q886-I890 WeakPolarHBondContact O-CG1 3.5Å; Q886-I890 PolarHBondContact O-N 3.45Å; M887-I890 PolarHBondContact O-N 3.41Å; I890-G894 PolarHBondContact O-N 2.77Å; I890-I895 HydrophobicContact CG2-CB 3.8Å; I890-I895 HydrophobicContact CG2-CG2 3.93Å; I890-I895 PolarHBondContact O-N 3.01Å; I890-A896 HydrophobicContact CG2-CB 4.02Å; I890-A896 PolarHBondContact O-N 3.04Å
891	E	83.5	Confident	83.7	Confident	58 Å²	58	69.8 Å²	69.8	27%	0.271	39%	0.392	S	S	.	.	H	α-helix	trans	-67.3	-46.4	174.8	-167.9	-173.2	170.2	0	0	112.2	M887 L888 S889 E893 G894 A896 R899	M887-E891 PolarHBondContact O-N 3.13Å; L888-E891 PolarHBondContact O-N 3.27Å; S889-E891 VanDerWaalsContact C-N 3.25Å; S889-E891 PolarHBondContact O-N 3.48Å; E891-E893 VanDerWaalsContact C-N 3.27Å; E891-E893 PolarHBondContact O-N 3Å; E891-G894 WeakPolarHBondContact O-CA 3.28Å; E891-G894 PolarHBondContact O-N 3.37Å; E891-A896 HydrophobicContact CB-CB 4.46Å; E891-R899 IonicContact OE1-CZ 2.83Å; E891-R899 IonicContact OE1-NE 3.43Å; E891-R899 PolarHBondContact OE1-NE 2.92Å; E891-R899 IonicContact OE1-NH2 3.26Å; E891-R899 PolarHBondContact OE1-NH2 3.04Å; E891-R899 IonicContact OE2-NE 2.77Å; E891-R899 IonicContact OE2-NH2 2.67Å; E891-R899 PolarHBondContact OE2-NH2 3.48Å
892	N	83.3	Confident	83.6	Confident	146 Å²	146	65.1 Å²	65.1	78%	0.781	37%	0.369	S	S	*	.	H	α-helix	trans	-62.5	-33.5	177.6	-178	63.9	0	0	0	112.7	L888 S889 G894	L888-N892 WeakPolarHBondContact O-CB 3.25Å; L888-N892 PolarHBondContact O-N 2.85Å; S889-N892 PolarHBondContact O-N 2.88Å; N892-G894 PolarHBondContact O-N 3.46Å
893	E	86.6	Confident	83.1	Confident	128 Å²	128	67.5 Å²	67.5	60%	0.598	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-7.4	172.9	-71.2	177.4	-175.7	0	0	113.2	S889 E891 I895	S889-E893 WeakPolarHBondContact O-CG 3.44Å; S889-E893 PolarHBondContact O-N 3.34Å; E891-E893 VanDerWaalsContact C-N 3.27Å; E891-E893 PolarHBondContact O-N 3Å; E893-I895 VanDerWaalsContact C-N 3.25Å; E893-I895 HydrophobicContact CB-CD1 3.89Å; E893-I895 HydrophobicContact CB-CG1 3.93Å; E893-I895 PolarHBondContact O-N 3.25Å; E893-I895 WeakPolarHBondContact OE2-CD1 3.43Å
894	G	80.3	Confident	82.9	Confident	64 Å²	64	72.4 Å²	72.4	66%	0.66	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	19.5	-178.1	0	0	0	0	0	114	I890 E891 N892	I890-G894 PolarHBondContact O-N 2.77Å; E891-G894 WeakPolarHBondContact O-CA 3.28Å; E891-G894 PolarHBondContact O-N 3.37Å; N892-G894 PolarHBondContact O-N 3.46Å
895	I	81.8	Confident	83	Confident	116 Å²	116	70.2 Å²	70.2	60%	0.595	39%	0.391	S	S	*	.			trans	-82.7	-34.2	179.3	-62.5	173.9	0	0	0	110.7	I890 E893	I890-I895 HydrophobicContact CG2-CB 3.8Å; I890-I895 HydrophobicContact CG2-CG2 3.93Å; I890-I895 PolarHBondContact O-N 3.01Å; E893-I895 VanDerWaalsContact C-N 3.25Å; E893-I895 HydrophobicContact CB-CD1 3.89Å; E893-I895 HydrophobicContact CB-CG1 3.93Å; E893-I895 PolarHBondContact O-N 3.25Å; E893-I895 WeakPolarHBondContact OE2-CD1 3.43Å
896	A	78.8	Confident	82.7	Confident	15 Å²	15	71 Å²	71	12%	0.124	39%	0.392	C	S	.	.	S	Bend	trans	-69.3	149.5	177.1	0	0	0	0	0	110.9	P873 I890 E891	P873-A896 HydrophobicContact CB-CB 3.67Å; I890-A896 HydrophobicContact CG2-CB 4.02Å; I890-A896 PolarHBondContact O-N 3.04Å; E891-A896 HydrophobicContact CB-CB 4.46Å
897	P	79.5	Confident	82.7	Confident	63 Å²	63	66.7 Å²	66.7	41%	0.409	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-57.4	152.5	167.4	26.8	-34	0	0	0	109.8	P873 P903	P873-P897 HydrophobicContact CB-CG 4.41Å; P873-P897 WeakPolarHBondContact CB-O 3.36Å; P873-P897 WeakPolarHBondContact O-CD 3.3Å; P873-P897 WeakPolarHBondContact O-CG 3.26Å; P897-P903 HydrophobicContact CB-CB 4.05Å
898	K	82.8	Confident	82.7	Confident	98 Å²	98	66 Å²	66	43%	0.426	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-68.4	156.6	176.3	-66.7	170.5	167.2	-174.6	0	110.3	G900 P903 D904 S905 N906	K898-G900 PolarHBondContact O-N 2.9Å; K898-P903 WeakPolarHBondContact CB-O 3.32Å; K898-P903 PolarHBondContact N-O 3.13Å; K898-D904 WeakPolarHBondContact CD-O 3.36Å; K898-D904 PolarHBondContact NZ-O 3.24Å; K898-S905 WeakPolarHBondContact CB-O 3.21Å; K898-N906 VanDerWaalsContact CB-OD1 3.32Å; K898-N906 WeakPolarHBondContact CB-OD1 3.46Å; K898-N906 WeakPolarHBondContact CD-OD1 3.34Å; K898-N906 WeakPolarHBondContact CG-OD1 3.42Å
899	R	83.5	Confident	83.2	Confident	49 Å²	49	62.3 Å²	62.3	19%	0.185	35%	0.35	C	S	.	.	S	Bend	trans	-73.1	1.3	-171.6	-76	175.5	-170.2	-173.1	5.5	114.4	D847 H869 P873 E891 H908	D847-R899 IonicContact OD1-NH1 3.08Å; D847-R899 PolarHBondContact OD1-NH1 2.91Å; H869-R899 PolarHBondContact CD2-O 3.18Å; H869-R899 VanDerWaalsContact CD2-O 3.28Å; P873-R899 HydrophobicContact CG-CG 3.64Å; E891-R899 IonicContact OE1-CZ 2.83Å; E891-R899 IonicContact OE1-NE 3.43Å; E891-R899 PolarHBondContact OE1-NE 2.92Å; E891-R899 IonicContact OE1-NH2 3.26Å; E891-R899 PolarHBondContact OE1-NH2 3.04Å; E891-R899 IonicContact OE2-NE 2.77Å; E891-R899 IonicContact OE2-NH2 2.67Å; E891-R899 PolarHBondContact OE2-NH2 3.48Å; R899-H908 WeakPolarHBondContact CB-CD2 3.34Å; R899-H908 WeakPolarHBondContact CB-CE1 3.49Å; R899-H908 WeakPolarHBondContact CB-NE2 3.33Å; R899-H908 WeakPolarHBondContact CD-CE1 3.46Å; R899-H908 PolarHBondContact O-CD2 3.28Å
900	G	84.7	Confident	83.6	Confident	5 Å²	5	60 Å²	60	5%	0.052	33%	0.333	C	S	.	.	S	Bend	trans	-84.5	172.7	176.3	0	0	0	0	0	114	H869 K898 T902 S905 D907	H869-G900 PolarHBondContact CD2-O 3.31Å; H869-G900 PolarHBondContact NE2-O 3.13Å; K898-G900 PolarHBondContact O-N 2.9Å; G900-T902 VanDerWaalsContact C-N 3.26Å; G900-T902 PolarHBondContact O-N 3.34Å; G900-S905 WeakPolarHBondContact CA-O 3.18Å; G900-S905 PolarHBondContact N-O 3.49Å; G900-D907 WeakPolarHBondContact CA-O 3.38Å
901	I	84.4	Confident	83.9	Confident	30 Å²	30	57.9 Å²	57.9	15%	0.154	32%	0.322	C	S	.	.	S	Bend	trans	-60.3	-41	176.3	-65.7	171.7	0	0	0	110.5	Y867 H869 Y910 Y974 I976 F999	Y867-I901 HydrophobicContact CD1-CD1 3.76Å; Y867-I901 HydrophobicContact CD1-CG1 4.38Å; Y867-I901 HydrophobicContact CE1-CD1 3.6Å; Y867-I901 HydrophobicContact CE1-CG1 3.8Å; H869-I901 HydrophobicContact CB-CG1 4Å; I901-Y910 HydrophobicContact CB-CE2 4.3Å; I901-Y910 HydrophobicContact CD1-CD1 4.09Å; I901-Y910 HydrophobicContact CD1-CD2 3.61Å; I901-Y910 HydrophobicContact CD1-CE1 3.9Å; I901-Y910 HydrophobicContact CD1-CE2 3.46Å; I901-Y910 VanDerWaalsContact CD1-CE2 3.46Å; I901-Y910 HydrophobicContact CD1-CG 3.94Å; I901-Y910 HydrophobicContact CG1-CD2 4.12Å; I901-Y910 HydrophobicContact CG1-CE1 4.42Å; I901-Y910 HydrophobicContact CG1-CE2 3.5Å; I901-Y910 VanDerWaalsContact CG1-CE2 3.5Å; I901-Y910 PolarHBondContact N-OH 2.86Å; I901-Y910 VanDerWaalsContact N-OH 3.1Å; I901-Y974 WeakPolarHBondContact CG2-OH 3.41Å; I901-I976 HydrophobicContact CB-CD1 4.13Å; I901-I976 HydrophobicContact CG2-CD1 3.9Å; I901-F999 HydrophobicContact CD1-CD1 3.75Å; I901-F999 HydrophobicContact CD1-CE1 4.07Å
902	T	82.1	Confident	84.4	Confident	41 Å²	41	55.1 Å²	55.1	25%	0.252	31%	0.31	S	S	.	.	S	Bend	trans	-89.2	134.4	170.7	64.9	0	0	0	0	108.9	G900 D904 S905 I976	G900-T902 VanDerWaalsContact C-N 3.26Å; G900-T902 PolarHBondContact O-N 3.34Å; T902-D904 WeakPolarHBondContact CB-OD1 3.45Å; T902-D904 PolarHBondContact O-N 2.87Å; T902-D904 PolarHBondContact OG1-OD1 3.44Å; T902-S905 PolarHBondContact O-N 2.95Å; T902-S905 VanDerWaalsContact OG1-CB 3.32Å; T902-S905 WeakPolarHBondContact OG1-CB 3.32Å; T902-I976 HydrophobicContact CG2-CD1 3.57Å
903	P	76	Confident	84.8	Confident	94 Å²	94	48.4 Å²	48.4	61%	0.61	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-11.4	-172.8	23.4	-32.8	0	0	0	114	P897 K898	P897-P903 HydrophobicContact CB-CB 4.05Å; K898-P903 WeakPolarHBondContact CB-O 3.32Å; K898-P903 PolarHBondContact N-O 3.13Å
904	D	80.9	Confident	85.1	Confident	114 Å²	114	42.3 Å²	42.3	61%	0.61	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-9.8	178.1	65	-31.9	0	0	0	114.4	K898 T902	K898-D904 WeakPolarHBondContact CD-O 3.36Å; K898-D904 PolarHBondContact NZ-O 3.24Å; T902-D904 WeakPolarHBondContact CB-OD1 3.45Å; T902-D904 PolarHBondContact O-N 2.87Å; T902-D904 PolarHBondContact OG1-OD1 3.44Å
905	S	83.6	Confident	85.7	Confident	15 Å²	15	39.3 Å²	39.3	11%	0.105	21%	0.214	C	C	.	.			trans	-105.8	141.7	-177.4	171.9	0	0	0	0	112.9	K898 G900 T902 D907	K898-S905 WeakPolarHBondContact CB-O 3.21Å; G900-S905 WeakPolarHBondContact CA-O 3.18Å; G900-S905 PolarHBondContact N-O 3.49Å; T902-S905 PolarHBondContact O-N 2.95Å; T902-S905 VanDerWaalsContact OG1-CB 3.32Å; T902-S905 WeakPolarHBondContact OG1-CB 3.32Å; S905-D907 VanDerWaalsContact C-N 3.3Å; S905-D907 VanDerWaalsContact OG-CB 3.23Å; S905-D907 WeakPolarHBondContact OG-CB 3.37Å; S905-D907 PolarHBondContact OG-N 3.4Å; S905-D907 PolarHBondContact OG-OD2 3.32Å
906	N	82	Confident	86	Confident	101 Å²	101	35.5 Å²	35.5	54%	0.54	20%	0.198	S	C	.	.			trans	-93.1	14.8	170.3	-71.2	-21.5	0	0	0	111.9	K898 H908	K898-N906 VanDerWaalsContact CB-OD1 3.32Å; K898-N906 WeakPolarHBondContact CB-OD1 3.46Å; K898-N906 WeakPolarHBondContact CD-OD1 3.34Å; K898-N906 WeakPolarHBondContact CG-OD1 3.42Å; N906-H908 VanDerWaalsContact C-CD2 3.4Å; N906-H908 PolarHBondContact O-CD2 3.2Å; N906-H908 PolarHBondContact O-NE2 2.89Å
907	D	84	Confident	86.5	Confident	38 Å²	38	35.6 Å²	35.6	20%	0.203	20%	0.201	C	C	.	.			trans	-93.3	111.9	-176.5	-49.2	-41.4	0	0	0	108.2	G900 S905 Y910 I1001	G900-D907 WeakPolarHBondContact CA-O 3.38Å; S905-D907 VanDerWaalsContact C-N 3.3Å; S905-D907 VanDerWaalsContact OG-CB 3.23Å; S905-D907 WeakPolarHBondContact OG-CB 3.37Å; S905-D907 PolarHBondContact OG-N 3.4Å; S905-D907 PolarHBondContact OG-OD2 3.32Å; D907-Y910 WeakPolarHBondContact O-CE2 3.42Å; D907-Y910 PolarHBondContact O-OH 3.36Å; D907-I1001 HydrophobicContact CB-CG2 3.76Å; D907-I1001 VanDerWaalsContact CG-CG2 3.46Å; D907-I1001 VanDerWaalsContact OD2-CG2 3.31Å; D907-I1001 WeakPolarHBondContact OD2-CG2 3.46Å
908	H	85.6	Confident	87.1	Confident	22 Å²	22	32.6 Å²	32.6	10%	0.102	18%	0.181	C	C	.	.			trans	-103.6	-14.3	-176.3	-40.4	153.9	0	0	0	111.4	I868 H869 R899 N906	I868-H908 CarbonylContact C-O 3.59Å; I868-H908 WeakPolarHBondContact CA-O 3.24Å; H869-H908 PolarHBondContact N-O 2.98Å; R899-H908 WeakPolarHBondContact CB-CD2 3.34Å; R899-H908 WeakPolarHBondContact CB-CE1 3.49Å; R899-H908 WeakPolarHBondContact CB-NE2 3.33Å; R899-H908 WeakPolarHBondContact CD-CE1 3.46Å; R899-H908 PolarHBondContact O-CD2 3.28Å; N906-H908 VanDerWaalsContact C-CD2 3.4Å; N906-H908 PolarHBondContact O-CD2 3.2Å; N906-H908 PolarHBondContact O-NE2 2.89Å
909	T	92.3	Very high	87.5	Confident	10 Å²	10	29.7 Å²	29.7	6%	0.061	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	134.4	179.2	38.8	0	0	0	0	110.5	A846 I868 D1002 F1007	A846-T909 HydrophobicContact CB-CG2 4.23Å; I868-T909 HydrophobicContact CG1-CG2 4.35Å; T909-D1002 WeakPolarHBondContact O-CB 3.43Å; T909-D1002 PolarHBondContact O-N 2.92Å; T909-D1002 PolarHBondContact OG1-O 3.4Å; T909-F1007 HydrophobicContact CG2-CD1 4.01Å; T909-F1007 HydrophobicContact CG2-CE1 4.01Å
910	Y	93.9	Very high	87.9	Confident	3 Å²	3	33.6 Å²	33.6	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	137.1	-178.7	-60.3	-94.6	0	0	0	110.4	Y866 Y867 H869 I901 D907 I976 F999 Y1000 I1001	Y866-Y910 CarbonylContact C-O 3.58Å; Y866-Y910 WeakPolarHBondContact CA-O 3.4Å; Y867-Y910 AromaticContact CD1-CD2 3.94Å; Y867-Y910 HydrophobicContact CD1-CD2 3.94Å; Y867-Y910 PolarHBondContact N-O 2.82Å; Y867-Y910 PolarHBondContact O-N 2.92Å; H869-Y910 HydrophobicContact CB-CE2 4.17Å; I901-Y910 HydrophobicContact CB-CE2 4.3Å; I901-Y910 HydrophobicContact CD1-CD1 4.09Å; I901-Y910 HydrophobicContact CD1-CD2 3.61Å; I901-Y910 HydrophobicContact CD1-CE1 3.9Å; I901-Y910 HydrophobicContact CD1-CE2 3.46Å; I901-Y910 VanDerWaalsContact CD1-CE2 3.46Å; I901-Y910 HydrophobicContact CD1-CG 3.94Å; I901-Y910 HydrophobicContact CG1-CD2 4.12Å; I901-Y910 HydrophobicContact CG1-CE1 4.42Å; I901-Y910 HydrophobicContact CG1-CE2 3.5Å; I901-Y910 VanDerWaalsContact CG1-CE2 3.5Å; I901-Y910 PolarHBondContact N-OH 2.86Å; I901-Y910 VanDerWaalsContact N-OH 3.1Å; D907-Y910 WeakPolarHBondContact O-CE2 3.42Å; D907-Y910 PolarHBondContact O-OH 3.36Å; Y910-I976 HydrophobicContact CE1-CG2 4.12Å; Y910-F999 HydrophobicContact CD1-CB 4.16Å; Y910-F999 HydrophobicContact CD1-CD1 4.36Å; Y910-F999 HydrophobicContact CG-CD1 4.18Å; Y910-Y1000 CarbonylContact C-O 3.46Å; Y910-Y1000 VanDerWaalsContact CA-O 3.28Å; Y910-Y1000 WeakPolarHBondContact CA-O 3.47Å; Y910-I1001 HydrophobicContact CE1-CG1 4.25Å
911	R	92.8	Very high	88.2	Confident	6 Å²	6	35 Å²	35	2%	0.023	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	130.6	164.1	179.2	-173.9	-125.4	-157.4	6.6	109.1	R585 F864 Y866 R979 D987 E989 Y1000	R585-R911 VanDerWaalsContact NH2-CZ 3.32Å; F864-R911 HydrophobicContact CE2-CG 3.62Å; F864-R911 VanDerWaalsContact CE2-NE 3.32Å; F864-R911 HydrophobicContact CZ-CG 3.86Å; F864-R911 VanDerWaalsContact CZ-CZ 3.47Å; Y866-R911 HydrophobicContact CD1-CB 4.35Å; Y866-R911 HydrophobicContact CD1-CG 4.41Å; Y866-R911 HydrophobicContact CE1-CG 4.25Å; R911-R979 VanDerWaalsContact NH1-CZ 3.33Å; R911-R979 VanDerWaalsContact NH1-NH2 3.17Å; R911-D987 IonicContact CZ-OD1 3.27Å; R911-D987 IonicContact NH1-OD1 3.12Å; R911-D987 PolarHBondContact NH1-OD1 3.08Å; R911-D987 VanDerWaalsContact NH2-CG 3.31Å; R911-D987 IonicContact NH2-OD1 2.85Å; R911-D987 PolarHBondContact NH2-OD1 2.89Å; R911-D987 IonicContact NH2-OD2 3.64Å; R911-D987 PolarHBondContact NH2-OD2 2.85Å; R911-D987 VanDerWaalsContact NH2-OD2 3.13Å; R911-E989 IonicContact CZ-OE1 3.99Å; R911-E989 IonicContact NH1-OE1 3.98Å; R911-E989 PolarHBondContact NH1-OE1 3.35Å; R911-Y1000 PolarHBondContact N-O 3.28Å; R911-Y1000 PolarHBondContact O-N 3.34Å
912	M	93	Very high	88.6	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.9	-173.8	-60.5	-175.3	-69.2	0	0	111.8	F857 F864 G865 Y866 Y867 L914 L998 F999	F857-M912 HydrophobicContact CD1-CE 3.99Å; F857-M912 HydrophobicContact CD2-CE 4.1Å; F857-M912 HydrophobicContact CD2-SD 4.27Å; F857-M912 HydrophobicContact CE1-CE 3.57Å; F857-M912 HydrophobicContact CE1-SD 4.31Å; F857-M912 HydrophobicContact CE2-CE 3.72Å; F857-M912 HydrophobicContact CE2-SD 3.53Å; F857-M912 VanDerWaalsContact CE2-SD 3.53Å; F857-M912 HydrophobicContact CG-CE 4.23Å; F857-M912 HydrophobicContact CZ-CE 3.44Å; F857-M912 VanDerWaalsContact CZ-CE 3.44Å; F857-M912 HydrophobicContact CZ-SD 3.55Å; F857-M912 VanDerWaalsContact CZ-SD 3.55Å; F864-M912 VanDerWaalsContact CA-O 3.3Å; F864-M912 WeakPolarHBondContact CA-O 3.47Å; F864-M912 WeakPolarHBondContact CD2-O 3.15Å; G865-M912 PolarHBondContact N-O 2.83Å; G865-M912 PolarHBondContact O-N 2.94Å; Y866-M912 VanDerWaalsContact C-CE 3.41Å; Y866-M912 VanDerWaalsContact O-CE 3.24Å; Y866-M912 WeakPolarHBondContact O-CE 3.37Å; Y867-M912 WeakPolarHBondContact CB-SD 3.28Å; Y867-M912 HydrophobicContact CG-SD 4.24Å; M912-L914 HydrophobicContact CB-CD1 4.43Å; M912-L914 HydrophobicContact CB-CD2 3.7Å; M912-L914 HydrophobicContact CB-CG 3.89Å; M912-L914 HydrophobicContact CE-CD1 4.33Å; M912-L914 HydrophobicContact CG-CD2 4.28Å; M912-L914 HydrophobicContact SD-CD2 3.81Å; M912-L998 CarbonylContact C-O 3.58Å; M912-L998 WeakPolarHBondContact CA-O 2.99Å; M912-F999 HydrophobicContact CB-CE2 4.41Å; M912-F999 HydrophobicContact CG-CD1 3.98Å; M912-F999 HydrophobicContact CG-CD2 4.13Å; M912-F999 HydrophobicContact CG-CE1 3.73Å; M912-F999 HydrophobicContact CG-CE2 3.89Å; M912-F999 HydrophobicContact CG-CG 4.18Å; M912-F999 HydrophobicContact CG-CZ 3.69Å; M912-F999 HydrophobicContact SD-CD1 4.37Å; M912-F999 HydrophobicContact SD-CE1 3.53Å; M912-F999 VanDerWaalsContact SD-CE1 3.53Å; M912-F999 HydrophobicContact SD-CE2 3.89Å; M912-F999 HydrophobicContact SD-CZ 3.24Å; M912-F999 WeakPolarHBondContact SD-CZ 3.38Å
913	A	92.8	Very high	89	Confident	4 Å²	4	35.4 Å²	35.4	3%	0.033	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	113.9	157.4	0	0	0	0	0	108.1	E989 T993 G997 L998 Y1000	A913-E989 HydrophobicContact CB-CG 4.22Å; A913-T993 HydrophobicContact CB-CG2 3.64Å; A913-G997 CarbonylContact O-C 3.46Å; A913-G997 WeakPolarHBondContact O-CA 3.37Å; A913-L998 HydrophobicContact CB-CB 4.3Å; A913-L998 PolarHBondContact N-O 3.03Å; A913-L998 PolarHBondContact O-N 3.29Å; A913-Y1000 HydrophobicContact CB-CE2 4.31Å
914	L	93.1	Very high	89.9	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.198	C	C	.	.			trans	-102.5	147.9	-162.2	-62.2	170.4	0	0	0	111.6	F857 F859 N863 M912 L918 F963 F999	F857-L914 HydrophobicContact CE1-CD1 3.97Å; F857-L914 HydrophobicContact CZ-CD1 3.95Å; F857-L914 HydrophobicContact CZ-CD2 4.11Å; F859-L914 HydrophobicContact CD1-CD1 3.89Å; F859-L914 HydrophobicContact CE1-CD1 3.62Å; N863-L914 PolarHBondContact O-N 3.41Å; M912-L914 HydrophobicContact CB-CD1 4.43Å; M912-L914 HydrophobicContact CB-CD2 3.7Å; M912-L914 HydrophobicContact CB-CG 3.89Å; M912-L914 HydrophobicContact CE-CD1 4.33Å; M912-L914 HydrophobicContact CG-CD2 4.28Å; M912-L914 HydrophobicContact SD-CD2 3.81Å; L914-L918 HydrophobicContact CB-CD2 4.3Å; L914-L918 HydrophobicContact CD1-CD2 3.99Å; L914-L918 HydrophobicContact CD2-CD2 3.82Å; L914-L918 HydrophobicContact CG-CD2 4.25Å; L914-F963 HydrophobicContact CD2-CE1 4.48Å; L914-F999 HydrophobicContact CD2-CE2 4.07Å; L914-F999 HydrophobicContact CD2-CZ 4.48Å
915	P	92.1	Very high	90.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.			trans	-70	138.4	170.9	30.1	-31.6	0	0	0	110.4	G917 L918 L972 T993	P915-G917 PolarHBondContact O-N 3.46Å; P915-G917 VanDerWaalsContact O-N 3.09Å; P915-L918 HydrophobicContact CG-CB 4.27Å; P915-L918 WeakPolarHBondContact O-CB 3.45Å; P915-L918 PolarHBondContact O-N 2.97Å; P915-L972 HydrophobicContact CB-CD2 4.22Å; P915-L972 HydrophobicContact CG-CB 4.23Å; P915-L972 HydrophobicContact CG-CD1 4.39Å; P915-L972 HydrophobicContact CG-CD2 4.19Å; P915-T993 WeakPolarHBondContact CA-O 2.97Å
916	S	87.7	Confident	90.6	Very high	37 Å²	37	36.5 Å²	36.5	26%	0.259	18%	0.18	S	C	.	.	H	α-helix	trans	-56.8	-30.9	-176.1	62.9	0	0	0	0	113.3	L918 R919 Q920	S916-L918 VanDerWaalsContact C-N 3.26Å; S916-L918 PolarHBondContact O-N 3.48Å; S916-R919 PolarHBondContact O-N 3.23Å; S916-Q920 WeakPolarHBondContact O-CG 3.38Å; S916-Q920 PolarHBondContact O-N 3.33Å; S916-Q920 VanDerWaalsContact O-N 3.17Å
917	G	89.8	Confident	90.9	Very high	17 Å²	17	34.4 Å²	34.4	18%	0.175	17%	0.171	C	C	.	.	H	α-helix	trans	-61.8	-29.5	176	0	0	0	0	0	114	P915 T921 L972	P915-G917 PolarHBondContact O-N 3.46Å; P915-G917 VanDerWaalsContact O-N 3.09Å; G917-T921 WeakPolarHBondContact O-CB 3.41Å; G917-T921 PolarHBondContact O-N 2.79Å; G917-T921 VanDerWaalsContact O-N 3.07Å; G917-T921 PolarHBondContact O-OG1 3.04Å; G917-L972 VanDerWaalsContact C-CD1 3.47Å
918	L	92.3	Very high	91	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.1	-48.1	178.6	-174.1	85.6	0	0	0	109.4	F857 F859 L914 P915 S916 Q920 T921 F922 Y959 F963 L972	F857-L918 HydrophobicContact CE1-CD2 4.45Å; F857-L918 HydrophobicContact CZ-CD2 3.86Å; F859-L918 HydrophobicContact CE1-CD2 4.39Å; F859-L918 HydrophobicContact CZ-CD2 4.38Å; L914-L918 HydrophobicContact CB-CD2 4.3Å; L914-L918 HydrophobicContact CD1-CD2 3.99Å; L914-L918 HydrophobicContact CD2-CD2 3.82Å; L914-L918 HydrophobicContact CG-CD2 4.25Å; P915-L918 HydrophobicContact CG-CB 4.27Å; P915-L918 WeakPolarHBondContact O-CB 3.45Å; P915-L918 PolarHBondContact O-N 2.97Å; S916-L918 VanDerWaalsContact C-N 3.26Å; S916-L918 PolarHBondContact O-N 3.48Å; L918-Q920 PolarHBondContact O-N 3.27Å; L918-T921 PolarHBondContact O-N 3.02Å; L918-F922 WeakPolarHBondContact O-CB 3.07Å; L918-F922 PolarHBondContact O-N 2.93Å; L918-Y959 WeakPolarHBondContact CA-OH 3.34Å; L918-Y959 HydrophobicContact CD1-CE1 3.8Å; L918-Y959 WeakPolarHBondContact CD1-OH 3.24Å; L918-Y959 HydrophobicContact CG-CE1 4.37Å; L918-F963 HydrophobicContact CD1-CB 4.2Å; L918-F963 HydrophobicContact CD1-CD1 3.7Å; L918-F963 HydrophobicContact CD1-CD2 3.66Å; L918-F963 HydrophobicContact CD1-CE1 3.91Å; L918-F963 HydrophobicContact CD1-CE2 3.88Å; L918-F963 HydrophobicContact CD1-CG 3.55Å; L918-F963 HydrophobicContact CD1-CZ 4Å; L918-F963 HydrophobicContact CD2-CD1 4.37Å; L918-F963 HydrophobicContact CD2-CE1 3.97Å; L918-F963 HydrophobicContact CD2-CZ 4.24Å; L918-L972 VanDerWaalsContact CA-CD1 3.46Å; L918-L972 HydrophobicContact CB-CD1 3.84Å; L918-L972 HydrophobicContact CD1-CD1 4.31Å
919	R	91.1	Very high	90.9	Very high	36 Å²	36	34.9 Å²	34.9	14%	0.136	18%	0.177	C	C	.	.	H	α-helix	trans	-67	-38.4	-179.4	-175.5	63.8	-162.8	-147.5	-2.2	112.7	D669 F859 S862 S916 T921 F922 N923	D669-R919 IonicContact OD2-CZ 2.63Å; D669-R919 IonicContact OD2-NH1 2.91Å; D669-R919 PolarHBondContact OD2-NH1 2.85Å; D669-R919 IonicContact OD2-NH2 3.33Å; D669-R919 PolarHBondContact OD2-NH2 2.63Å; F859-R919 VanDerWaalsContact CB-NH1 3.34Å; F859-R919 VanDerWaalsContact CG-NH1 3.25Å; S862-R919 VanDerWaalsContact O-CB 3.32Å; S862-R919 WeakPolarHBondContact O-CB 3.47Å; S862-R919 WeakPolarHBondContact O-CG 3.35Å; S916-R919 PolarHBondContact O-N 3.23Å; R919-T921 VanDerWaalsContact C-N 3.32Å; R919-T921 PolarHBondContact O-N 2.94Å; R919-F922 PolarHBondContact O-N 3.4Å; R919-N923 PolarHBondContact NE-OD1 2.94Å; R919-N923 PolarHBondContact NH2-OD1 2.79Å; R919-N923 WeakPolarHBondContact O-CB 3.06Å; R919-N923 VanDerWaalsContact O-CG 3.31Å; R919-N923 PolarHBondContact O-N 3.43Å
920	Q	91.1	Very high	90.3	Very high	131 Å²	131	38.6 Å²	38.6	61%	0.612	20%	0.196	S	C	*	.	H	α-helix	trans	-61.1	-43.6	175.5	-69.9	173.1	11.8	0	0	111.3	S916 L918 R924	S916-Q920 WeakPolarHBondContact O-CG 3.38Å; S916-Q920 PolarHBondContact O-N 3.33Å; S916-Q920 VanDerWaalsContact O-N 3.17Å; L918-Q920 PolarHBondContact O-N 3.27Å; Q920-R924 WeakPolarHBondContact O-CB 3.36Å; Q920-R924 PolarHBondContact O-N 2.99Å
921	T	91.8	Very high	89.7	Confident	34 Å²	34	41.6 Å²	41.6	21%	0.209	21%	0.212	C	C	.	.	H	α-helix	trans	-67.9	-43.4	178.2	-55.3	0	0	0	0	111.3	G917 L918 R919 R924 L925 Y959	G917-T921 WeakPolarHBondContact O-CB 3.41Å; G917-T921 PolarHBondContact O-N 2.79Å; G917-T921 VanDerWaalsContact O-N 3.07Å; G917-T921 PolarHBondContact O-OG1 3.04Å; L918-T921 PolarHBondContact O-N 3.02Å; R919-T921 VanDerWaalsContact C-N 3.32Å; R919-T921 PolarHBondContact O-N 2.94Å; T921-R924 WeakPolarHBondContact O-CB 3.11Å; T921-R924 PolarHBondContact O-N 2.97Å; T921-L925 HydrophobicContact CG2-CD1 4.41Å; T921-L925 WeakPolarHBondContact O-CG 3.21Å; T921-L925 PolarHBondContact O-N 3.06Å; T921-Y959 VanDerWaalsContact CB-OH 3.29Å; T921-Y959 WeakPolarHBondContact CB-OH 3.26Å; T921-Y959 HydrophobicContact CG2-CD1 4.47Å; T921-Y959 HydrophobicContact CG2-CD2 4.09Å; T921-Y959 HydrophobicContact CG2-CE1 3.97Å; T921-Y959 HydrophobicContact CG2-CE2 3.56Å; T921-Y959 VanDerWaalsContact CG2-CZ 3.47Å
922	F	92.5	Very high	88.9	Confident	9 Å²	9	42.9 Å²	42.9	4%	0.039	22%	0.22	C	C	.	.	H	α-helix	trans	-56.9	-51	174.3	-177	-88	0	0	0	111.9	F859 L918 R919 R924 L925 Y926 I956 L960	F859-F922 HydrophobicContact CE2-CD1 4.22Å; F859-F922 AromaticContact CE2-CD2 3.86Å; F859-F922 HydrophobicContact CE2-CD2 3.86Å; F859-F922 HydrophobicContact CE2-CE1 4.28Å; F859-F922 AromaticContact CE2-CE2 3.9Å; F859-F922 HydrophobicContact CE2-CE2 3.9Å; F859-F922 HydrophobicContact CE2-CG 4.02Å; F859-F922 HydrophobicContact CE2-CZ 4.12Å; F859-F922 HydrophobicContact CZ-CB 4.43Å; F859-F922 HydrophobicContact CZ-CD2 4.22Å; F859-F922 HydrophobicContact CZ-CG 4.18Å; L918-F922 WeakPolarHBondContact O-CB 3.07Å; L918-F922 PolarHBondContact O-N 2.93Å; R919-F922 PolarHBondContact O-N 3.4Å; F922-R924 VanDerWaalsContact C-N 3.29Å; F922-R924 PolarHBondContact O-N 2.98Å; F922-L925 PolarHBondContact O-N 3.01Å; F922-L925 VanDerWaalsContact O-N 3.15Å; F922-Y926 PolarHBondContact O-N 2.62Å; F922-I956 HydrophobicContact CD2-CG2 3.93Å; F922-I956 HydrophobicContact CE2-CD1 4.34Å; F922-I956 HydrophobicContact CE2-CG2 3.52Å; F922-I956 HydrophobicContact CZ-CG2 4.5Å; F922-L960 HydrophobicContact CE2-CD1 4.41Å
923	N	91.5	Very high	87.8	Confident	72 Å²	72	48.3 Å²	48.3	39%	0.385	25%	0.253	S	S	.	.	H	α-helix	trans	-60.3	-38.6	177.2	-73.2	-14.7	0	0	0	111.8	R919 Y926 T927	R919-N923 PolarHBondContact NE-OD1 2.94Å; R919-N923 PolarHBondContact NH2-OD1 2.79Å; R919-N923 WeakPolarHBondContact O-CB 3.06Å; R919-N923 VanDerWaalsContact O-CG 3.31Å; R919-N923 PolarHBondContact O-N 3.43Å; N923-Y926 PolarHBondContact O-N 3.1Å; N923-T927 PolarHBondContact O-N 2.82Å; N923-T927 PolarHBondContact O-OG1 2.79Å
924	R	93.4	Very high	86.8	Confident	173 Å²	173	54.6 Å²	54.6	65%	0.653	29%	0.285	S	S	*	.	H	α-helix	trans	-62.1	-43.6	175.6	-174.6	-178.3	70.5	164.6	1	111.6	Q920 T921 F922 Y926 T927	Q920-R924 WeakPolarHBondContact O-CB 3.36Å; Q920-R924 PolarHBondContact O-N 2.99Å; T921-R924 WeakPolarHBondContact O-CB 3.11Å; T921-R924 PolarHBondContact O-N 2.97Å; F922-R924 VanDerWaalsContact C-N 3.29Å; F922-R924 PolarHBondContact O-N 2.98Å; R924-Y926 VanDerWaalsContact C-N 3.3Å; R924-Y926 PolarHBondContact O-N 3.19Å; R924-T927 WeakPolarHBondContact O-CB 3.37Å; R924-T927 PolarHBondContact O-N 3.19Å; R924-T927 PolarHBondContact O-OG1 3.05Å
925	L	91.6	Very high	85.7	Confident	39 Å²	39	57.2 Å²	57.2	20%	0.204	30%	0.299	C	S	.	.	H	α-helix	trans	-67.7	-31.1	176.7	-67	176.2	0	0	0	112.3	T921 F922 P928 V952 N955 I956 Y959	T921-L925 HydrophobicContact CG2-CD1 4.41Å; T921-L925 WeakPolarHBondContact O-CG 3.21Å; T921-L925 PolarHBondContact O-N 3.06Å; F922-L925 PolarHBondContact O-N 3.01Å; F922-L925 VanDerWaalsContact O-N 3.15Å; L925-P928 VanDerWaalsContact O-CD 3.25Å; L925-P928 WeakPolarHBondContact O-CD 3.44Å; L925-V952 WeakPolarHBondContact O-CG1 3.13Å; L925-N955 HydrophobicContact CD2-CB 4.36Å; L925-I956 HydrophobicContact CB-CD1 4.49Å; L925-I956 HydrophobicContact CB-CG1 3.79Å; L925-I956 HydrophobicContact CD1-CG1 4.29Å; L925-Y959 HydrophobicContact CD1-CD1 4.03Å; L925-Y959 HydrophobicContact CD1-CG 3.85Å
926	Y	89	Confident	84.3	Confident	34 Å²	34	60.4 Å²	60.4	13%	0.133	33%	0.325	C	S	.	.	H	α-helix	trans	-79.9	-15.8	177.3	-161.6	-89.1	0	0	0	113.8	F922 N923 R924 L929 L930 I956 R1065 L1068	F922-Y926 PolarHBondContact O-N 2.62Å; N923-Y926 PolarHBondContact O-N 3.1Å; R924-Y926 VanDerWaalsContact C-N 3.3Å; R924-Y926 PolarHBondContact O-N 3.19Å; Y926-L929 HydrophobicContact CD2-CD1 4.25Å; Y926-L929 HydrophobicContact CE1-CB 4.33Å; Y926-L929 HydrophobicContact CE2-CD1 3.94Å; Y926-L929 WeakPolarHBondContact O-CB 3.21Å; Y926-L929 PolarHBondContact O-N 3.28Å; Y926-L929 VanDerWaalsContact O-N 3.15Å; Y926-L930 HydrophobicContact CD1-CD1 3.67Å; Y926-L930 HydrophobicContact CD1-CG 4.01Å; Y926-L930 HydrophobicContact CE1-CD1 4.21Å; Y926-L930 HydrophobicContact CE1-CG 4.1Å; Y926-L930 PolarHBondContact O-N 2.74Å; Y926-I956 HydrophobicContact CD2-CD1 4.05Å; Y926-R1065 PolarHBondContact OH-O 3.1Å; Y926-L1068 HydrophobicContact CE2-CD2 4.27Å
927	T	88	Confident	83.2	Confident	57 Å²	57	66.8 Å²	66.8	35%	0.35	36%	0.357	S	S	.	.	H	α-helix	trans	-55	-38.5	-176	-60.4	0	0	0	0	115.3	N923 R924 L929 L930 N931	N923-T927 PolarHBondContact O-N 2.82Å; N923-T927 PolarHBondContact O-OG1 2.79Å; R924-T927 WeakPolarHBondContact O-CB 3.37Å; R924-T927 PolarHBondContact O-N 3.19Å; R924-T927 PolarHBondContact O-OG1 3.05Å; T927-L929 VanDerWaalsContact C-N 3.26Å; T927-L929 PolarHBondContact O-N 2.97Å; T927-L930 WeakPolarHBondContact O-CB 3.39Å; T927-L930 PolarHBondContact O-N 2.9Å; T927-N931 PolarHBondContact O-N 2.84Å
928	P	86.4	Confident	81.5	Confident	56 Å²	56	74.2 Å²	74.2	36%	0.364	38%	0.384	S	S	.	.	H	α-helix	trans	-57.9	-37.3	177.4	-24.7	35.2	0	0	0	113.3	L925 N931 L932 I948 V952	L925-P928 VanDerWaalsContact O-CD 3.25Å; L925-P928 WeakPolarHBondContact O-CD 3.44Å; P928-N931 PolarHBondContact O-N 3.24Å; P928-L932 PolarHBondContact O-N 3.44Å; P928-L932 VanDerWaalsContact O-N 3.09Å; P928-I948 HydrophobicContact CB-CG2 4.1Å; P928-V952 HydrophobicContact CB-CG2 3.92Å; P928-V952 HydrophobicContact CG-CG2 4.06Å
929	L	82.6	Confident	79.7	Confident	14 Å²	14	79.1 Å²	79.1	7%	0.073	40%	0.404	C	S	.	.	H	α-helix	trans	-68.3	-43.5	176.3	-78.5	173.9	0	0	0	112.2	Y926 T927 N931 L932 T933 I948 T949 V952 L1068	Y926-L929 HydrophobicContact CD2-CD1 4.25Å; Y926-L929 HydrophobicContact CE1-CB 4.33Å; Y926-L929 HydrophobicContact CE2-CD1 3.94Å; Y926-L929 WeakPolarHBondContact O-CB 3.21Å; Y926-L929 PolarHBondContact O-N 3.28Å; Y926-L929 VanDerWaalsContact O-N 3.15Å; T927-L929 VanDerWaalsContact C-N 3.26Å; T927-L929 PolarHBondContact O-N 2.97Å; L929-N931 VanDerWaalsContact C-N 3.3Å; L929-N931 PolarHBondContact O-N 3.34Å; L929-L932 WeakPolarHBondContact O-CB 3.4Å; L929-L932 PolarHBondContact O-N 3.28Å; L929-T933 PolarHBondContact O-N 3.25Å; L929-T933 VanDerWaalsContact O-N 3.17Å; L929-T933 PolarHBondContact O-OG1 2.66Å; L929-T933 VanDerWaalsContact O-OG1 3.09Å; L929-I948 HydrophobicContact CD2-CG2 4.36Å; L929-T949 HydrophobicContact CD2-CG2 4.35Å; L929-T949 WeakPolarHBondContact CD2-OG1 3.37Å; L929-V952 HydrophobicContact CD1-CB 3.97Å; L929-V952 HydrophobicContact CD1-CG1 3.57Å; L929-V952 HydrophobicContact CD1-CG2 4.47Å; L929-V952 HydrophobicContact CG-CB 4.11Å; L929-V952 HydrophobicContact CG-CG1 4.07Å; L929-V952 HydrophobicContact CG-CG2 4.09Å; L929-L1068 HydrophobicContact CD1-CD1 3.93Å; L929-L1068 HydrophobicContact CD1-CD2 3.46Å; L929-L1068 VanDerWaalsContact CD1-CD2 3.46Å; L929-L1068 HydrophobicContact CD1-CG 4.37Å
930	L	80.6	Confident	77.8	Confident	88 Å²	88	79.6 Å²	79.6	46%	0.461	42%	0.419	S	S	.	.	H	α-helix	trans	-58.3	-43.1	174.6	-85.3	148.9	0	0	0	111.7	Y926 T927 L932 T933 L934	Y926-L930 HydrophobicContact CD1-CD1 3.67Å; Y926-L930 HydrophobicContact CD1-CG 4.01Å; Y926-L930 HydrophobicContact CE1-CD1 4.21Å; Y926-L930 HydrophobicContact CE1-CG 4.1Å; Y926-L930 PolarHBondContact O-N 2.74Å; T927-L930 WeakPolarHBondContact O-CB 3.39Å; T927-L930 PolarHBondContact O-N 2.9Å; L930-L932 VanDerWaalsContact C-N 3.33Å; L930-L932 PolarHBondContact O-N 3.41Å; L930-T933 PolarHBondContact O-N 3.36Å; L930-L934 WeakPolarHBondContact O-CG 3.38Å; L930-L934 PolarHBondContact O-N 3.03Å; L930-L934 VanDerWaalsContact O-N 3.1Å
931	N	81.3	Confident	76.1	Confident	65 Å²	65	83.8 Å²	83.8	35%	0.348	44%	0.435	S	S	.	.	H	α-helix	trans	-66.5	-34.2	178.7	-75.8	-19	0	0	0	112.7	T927 P928 L929 L934 N935	T927-N931 PolarHBondContact O-N 2.84Å; P928-N931 PolarHBondContact O-N 3.24Å; L929-N931 VanDerWaalsContact C-N 3.3Å; L929-N931 PolarHBondContact O-N 3.34Å; N931-L934 PolarHBondContact O-N 3.46Å; N931-N935 VanDerWaalsContact O-CB 3.27Å; N931-N935 WeakPolarHBondContact O-CB 3.23Å; N931-N935 PolarHBondContact O-N 3.32Å; N931-N935 PolarHBondContact O-ND2 3.32Å; N931-N935 VanDerWaalsContact O-ND2 3.1Å
932	L	75.3	Confident	74.1	Confident	33 Å²	33	91.2 Å²	91.2	17%	0.173	47%	0.467	C	S	.	.	H	α-helix	trans	-61.9	-45.3	174	-171.9	105.8	0	0	0	110.9	P928 L929 L930 A936 A945 I948	P928-L932 PolarHBondContact O-N 3.44Å; P928-L932 VanDerWaalsContact O-N 3.09Å; L929-L932 WeakPolarHBondContact O-CB 3.4Å; L929-L932 PolarHBondContact O-N 3.28Å; L930-L932 VanDerWaalsContact C-N 3.33Å; L930-L932 PolarHBondContact O-N 3.41Å; L932-A936 PolarHBondContact O-N 2.96Å; L932-A936 VanDerWaalsContact O-N 3.16Å; L932-A945 HydrophobicContact CD1-CB 4.24Å; L932-A945 HydrophobicContact CD2-CB 3.73Å; L932-I948 HydrophobicContact CD1-CD1 3.59Å
933	T	69.8	Low	72.5	Confident	114 Å²	114	94.1 Å²	94.1	70%	0.699	49%	0.486	S	S	*	.	H	α-helix	trans	-65.2	-40.8	178.7	-39.1	0	0	0	0	112.3	L929 L930	L929-T933 PolarHBondContact O-N 3.25Å; L929-T933 VanDerWaalsContact O-N 3.17Å; L929-T933 PolarHBondContact O-OG1 2.66Å; L929-T933 VanDerWaalsContact O-OG1 3.09Å; L930-T933 PolarHBondContact O-N 3.36Å
934	L	72.4	Confident	71.4	Confident	136 Å²	136	93.6 Å²	93.6	71%	0.712	49%	0.488	S	S	*	.	H	α-helix	trans	-76.4	-27.2	-178.5	-69.1	170.9	0	0	0	113.7	L930 N931	L930-L934 WeakPolarHBondContact O-CG 3.38Å; L930-L934 PolarHBondContact O-N 3.03Å; L930-L934 VanDerWaalsContact O-N 3.1Å; N931-L934 PolarHBondContact O-N 3.46Å
935	N	70.4	Confident	70.4	Confident	57 Å²	57	87.3 Å²	87.3	31%	0.305	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	31.3	-175	-63.3	-72.5	0	0	0	112.3	N931 D937 K938 Y939	N931-N935 VanDerWaalsContact O-CB 3.27Å; N931-N935 WeakPolarHBondContact O-CB 3.23Å; N931-N935 PolarHBondContact O-N 3.32Å; N931-N935 PolarHBondContact O-ND2 3.32Å; N931-N935 VanDerWaalsContact O-ND2 3.1Å; N935-D937 PolarHBondContact O-N 2.82Å; N935-D937 VanDerWaalsContact O-N 3.1Å; N935-K938 HydrophobicContact CB-CB 4.17Å; N935-K938 PolarHBondContact O-N 3.05Å; N935-Y939 HydrophobicContact CB-CD2 4Å; N935-Y939 HydrophobicContact CB-CE2 4.08Å; N935-Y939 WeakPolarHBondContact O-CD2 3.21Å; N935-Y939 PolarHBondContact O-N 3.19Å; N935-Y939 VanDerWaalsContact O-N 3.08Å
936	A	61.9	Low	69.7	Low	66 Å²	66	92.1 Å²	92.1	55%	0.545	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-35.1	179.8	0	0	0	0	0	112.4	L932	L932-A936 PolarHBondContact O-N 2.96Å; L932-A936 VanDerWaalsContact O-N 3.16Å
937	D	64.3	Low	69.3	Low	172 Å²	172	92.9 Å²	92.9	92%	0.92	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-26	177.6	-62.5	-29.7	0	0	0	114	N935	N935-D937 PolarHBondContact O-N 2.82Å; N935-D937 VanDerWaalsContact O-N 3.1Å
938	K	55.2	Low	69	Low	173 Å²	173	91.2 Å²	91.2	75%	0.752	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-32	-178.6	-93.7	-178.2	179.7	173.7	0	112.9	N935 G940	N935-K938 HydrophobicContact CB-CB 4.17Å; N935-K938 PolarHBondContact O-N 3.05Å; K938-G940 VanDerWaalsContact C-N 3.26Å; K938-G940 PolarHBondContact O-N 3.14Å
939	Y	53.1	Low	68.9	Low	103 Å²	103	90 Å²	90	40%	0.404	49%	0.488	S	S	.	.	S	Bend	trans	-77.1	84.9	171.6	-77	-84.5	0	0	0	108.1	N935 V943	N935-Y939 HydrophobicContact CB-CD2 4Å; N935-Y939 HydrophobicContact CB-CE2 4.08Å; N935-Y939 WeakPolarHBondContact O-CD2 3.21Å; N935-Y939 PolarHBondContact O-N 3.19Å; N935-Y939 VanDerWaalsContact O-N 3.08Å; Y939-V943 HydrophobicContact CD1-CB 4.22Å; Y939-V943 HydrophobicContact CD1-CG1 4.46Å; Y939-V943 HydrophobicContact CD1-CG2 4.21Å
940	G	52.1	Low	69	Low	45 Å²	45	92.5 Å²	92.5	46%	0.464	50%	0.501	S	S	.	.			trans	-53.3	160.9	172.1	0	0	0	0	0	111.7	K938 H942 V943	K938-G940 VanDerWaalsContact C-N 3.26Å; K938-G940 PolarHBondContact O-N 3.14Å; G940-H942 PolarHBondContact O-N 3.33Å; G940-V943 PolarHBondContact O-N 3.37Å
941	K	56.3	Low	69.4	Low	219 Å²	219	94.1 Å²	94.1	95%	0.952	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.6	-5.6	-177.6	-74.8	178.8	174.4	177.5	0	117.8
942	H	49.5	Very low	69.7	Low	190 Å²	190	91.2 Å²	91.2	88%	0.88	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-16.1	-175.8	-71.6	-73.3	0	0	0	115.5	G940	G940-H942 PolarHBondContact O-N 3.33Å
943	V	58	Low	70.4	Confident	70 Å²	70	91 Å²	91	42%	0.424	49%	0.488	S	S	.	.	S	Bend	trans	-105.7	113	174.4	-175.5	0	0	0	0	108.5	Y939 G940 A945 I948	Y939-V943 HydrophobicContact CD1-CB 4.22Å; Y939-V943 HydrophobicContact CD1-CG1 4.46Å; Y939-V943 HydrophobicContact CD1-CG2 4.21Å; G940-V943 PolarHBondContact O-N 3.37Å; V943-A945 PolarHBondContact O-N 3.4Å; V943-I948 HydrophobicContact CG1-CD1 3.46Å; V943-I948 VanDerWaalsContact CG1-CD1 3.46Å; V943-I948 HydrophobicContact CG1-CG1 4.05Å
944	S	68.2	Low	71.4	Confident	61 Å²	61	90.4 Å²	90.4	43%	0.427	48%	0.477	S	S	.	.			trans	-68.9	117.1	176.8	61	0	0	0	0	109.2	Q946 A947 I948	S944-Q946 PolarHBondContact O-N 3.31Å; S944-Q946 VanDerWaalsContact O-N 3.09Å; S944-A947 PolarHBondContact O-N 3.14Å; S944-A947 WeakPolarHBondContact OG-CB 3.3Å; S944-A947 PolarHBondContact OG-N 2.91Å; S944-I948 PolarHBondContact O-N 3.26Å
945	A	73.7	Confident	72.4	Confident	42 Å²	42	86.7 Å²	86.7	35%	0.347	46%	0.458	S	S	.	.	H	α-helix	trans	-50	-33.2	172.2	0	0	0	0	0	112	L932 V943 T949	L932-A945 HydrophobicContact CD1-CB 4.24Å; L932-A945 HydrophobicContact CD2-CB 3.73Å; V943-A945 PolarHBondContact O-N 3.4Å; A945-T949 WeakPolarHBondContact O-CB 3.34Å; A945-T949 PolarHBondContact O-N 2.86Å; A945-T949 VanDerWaalsContact O-N 3.07Å; A945-T949 PolarHBondContact O-OG1 3.35Å
946	Q	76.8	Confident	73.4	Confident	140 Å²	140	84 Å²	84	65%	0.654	44%	0.444	S	S	*	.	H	α-helix	trans	-65.8	-39.8	176.1	-67	117.4	-8.4	0	0	113.3	S944 T949 N950	S944-Q946 PolarHBondContact O-N 3.31Å; S944-Q946 VanDerWaalsContact O-N 3.09Å; Q946-T949 PolarHBondContact O-N 3.37Å; Q946-N950 WeakPolarHBondContact O-CB 3.47Å; Q946-N950 VanDerWaalsContact O-CG 3.23Å; Q946-N950 PolarHBondContact O-N 3.07Å; Q946-N950 PolarHBondContact O-OD1 3.1Å
947	A	79.5	Confident	74.9	Confident	49 Å²	49	81.5 Å²	81.5	41%	0.405	42%	0.421	S	S	.	.	H	α-helix	trans	-64.9	-43.2	179.2	0	0	0	0	0	111.6	S944 T949 N950 E951	S944-A947 PolarHBondContact O-N 3.14Å; S944-A947 WeakPolarHBondContact OG-CB 3.3Å; S944-A947 PolarHBondContact OG-N 2.91Å; A947-T949 VanDerWaalsContact C-N 3.3Å; A947-T949 PolarHBondContact O-N 3.34Å; A947-N950 PolarHBondContact O-N 2.9Å; A947-E951 WeakPolarHBondContact O-CB 3.09Å; A947-E951 PolarHBondContact O-N 3.22Å
948	I	82.8	Confident	76.3	Confident	23 Å²	23	80.7 Å²	80.7	12%	0.118	41%	0.405	C	S	.	.	H	α-helix	trans	-61.2	-42.4	174.6	-67.1	171.9	0	0	0	110.4	P928 L929 L932 V943 S944 N950 E951 V952	P928-I948 HydrophobicContact CB-CG2 4.1Å; L929-I948 HydrophobicContact CD2-CG2 4.36Å; L932-I948 HydrophobicContact CD1-CD1 3.59Å; V943-I948 HydrophobicContact CG1-CD1 3.46Å; V943-I948 VanDerWaalsContact CG1-CD1 3.46Å; V943-I948 HydrophobicContact CG1-CG1 4.05Å; S944-I948 PolarHBondContact O-N 3.26Å; I948-N950 PolarHBondContact O-N 3.48Å; I948-E951 PolarHBondContact O-N 2.84Å; I948-V952 HydrophobicContact CG2-CG2 4.35Å; I948-V952 WeakPolarHBondContact O-CB 3.23Å; I948-V952 WeakPolarHBondContact O-CG2 3.45Å; I948-V952 PolarHBondContact O-N 3.1Å
949	T	83.9	Confident	78.1	Confident	31 Å²	31	74.7 Å²	74.7	19%	0.19	38%	0.378	C	S	.	.	H	α-helix	trans	-61.4	-45.6	179	-55.2	0	0	0	0	111.7	L929 A945 Q946 A947 V952 Y953 L1068	L929-T949 HydrophobicContact CD2-CG2 4.35Å; L929-T949 WeakPolarHBondContact CD2-OG1 3.37Å; A945-T949 WeakPolarHBondContact O-CB 3.34Å; A945-T949 PolarHBondContact O-N 2.86Å; A945-T949 VanDerWaalsContact O-N 3.07Å; A945-T949 PolarHBondContact O-OG1 3.35Å; Q946-T949 PolarHBondContact O-N 3.37Å; A947-T949 VanDerWaalsContact C-N 3.3Å; A947-T949 PolarHBondContact O-N 3.34Å; T949-V952 PolarHBondContact O-N 3.43Å; T949-Y953 WeakPolarHBondContact O-CB 3.34Å; T949-Y953 PolarHBondContact O-N 3.06Å; T949-L1068 HydrophobicContact CG2-CB 3.97Å; T949-L1068 HydrophobicContact CG2-CD1 4.32Å; T949-L1068 HydrophobicContact CG2-CD2 4.21Å; T949-L1068 HydrophobicContact CG2-CG 4.4Å
950	N	84.8	Confident	80	Confident	65 Å²	65	69.8 Å²	69.8	35%	0.348	36%	0.359	S	S	.	.	H	α-helix	trans	-63.9	-44.7	177.4	-68.3	-11	0	0	0	111.7	Q946 A947 I948 V952 Y953 H954	Q946-N950 WeakPolarHBondContact O-CB 3.47Å; Q946-N950 VanDerWaalsContact O-CG 3.23Å; Q946-N950 PolarHBondContact O-N 3.07Å; Q946-N950 PolarHBondContact O-OD1 3.1Å; A947-N950 PolarHBondContact O-N 2.9Å; I948-N950 PolarHBondContact O-N 3.48Å; N950-V952 PolarHBondContact O-N 3.07Å; N950-Y953 PolarHBondContact O-N 2.96Å; N950-H954 PolarHBondContact O-CD2 3.41Å; N950-H954 PolarHBondContact O-N 2.85Å
951	E	87.4	Confident	81.9	Confident	122 Å²	122	69.9 Å²	69.9	57%	0.57	35%	0.347	S	S	*	.	H	α-helix	trans	-60.3	-45.6	177.5	-170.5	-171.5	163.2	0	0	111.4	A947 I948 H954 N955	A947-E951 WeakPolarHBondContact O-CB 3.09Å; A947-E951 PolarHBondContact O-N 3.22Å; I948-E951 PolarHBondContact O-N 2.84Å; E951-H954 PolarHBondContact O-N 3.48Å; E951-N955 WeakPolarHBondContact O-CB 3.36Å; E951-N955 VanDerWaalsContact O-CG 3.27Å; E951-N955 PolarHBondContact O-N 2.83Å; E951-N955 PolarHBondContact O-ND2 3.38Å
952	V	88.7	Confident	83.6	Confident	4 Å²	4	65.7 Å²	65.7	2%	0.024	33%	0.325	C	S	.	.	H	α-helix	trans	-64.3	-43	177.5	171.6	0	0	0	0	111.2	L925 P928 L929 I948 T949 N950 H954 N955 I956 L1068	L925-V952 WeakPolarHBondContact O-CG1 3.13Å; P928-V952 HydrophobicContact CB-CG2 3.92Å; P928-V952 HydrophobicContact CG-CG2 4.06Å; L929-V952 HydrophobicContact CD1-CB 3.97Å; L929-V952 HydrophobicContact CD1-CG1 3.57Å; L929-V952 HydrophobicContact CD1-CG2 4.47Å; L929-V952 HydrophobicContact CG-CB 4.11Å; L929-V952 HydrophobicContact CG-CG1 4.07Å; L929-V952 HydrophobicContact CG-CG2 4.09Å; I948-V952 HydrophobicContact CG2-CG2 4.35Å; I948-V952 WeakPolarHBondContact O-CB 3.23Å; I948-V952 WeakPolarHBondContact O-CG2 3.45Å; I948-V952 PolarHBondContact O-N 3.1Å; T949-V952 PolarHBondContact O-N 3.43Å; N950-V952 PolarHBondContact O-N 3.07Å; V952-H954 PolarHBondContact O-N 3.14Å; V952-N955 PolarHBondContact O-N 3.42Å; V952-I956 HydrophobicContact CG1-CD1 3.64Å; V952-I956 HydrophobicContact CG1-CG1 4.29Å; V952-I956 VanDerWaalsContact O-CG1 3.31Å; V952-I956 WeakPolarHBondContact O-CG1 3.49Å; V952-I956 PolarHBondContact O-N 3.03Å; V952-L1068 HydrophobicContact CG1-CD1 4.5Å
953	Y	90.6	Very high	85.6	Confident	29 Å²	29	57.3 Å²	57.3	11%	0.114	29%	0.286	C	S	.	.	H	α-helix	trans	-56.2	-51.4	174.4	174.1	-99	0	0	0	111.6	F671 I749 T949 N950 N955 I956 N957 L1068	F671-Y953 HydrophobicContact CE1-CE2 4.44Å; F671-Y953 AromaticContact CE2-CD2 3.87Å; F671-Y953 HydrophobicContact CE2-CD2 3.87Å; F671-Y953 HydrophobicContact CE2-CE2 4.17Å; F671-Y953 AromaticContact CZ-CD2 3.71Å; F671-Y953 HydrophobicContact CZ-CD2 3.71Å; F671-Y953 AromaticContact CZ-CE2 3.72Å; F671-Y953 HydrophobicContact CZ-CE2 3.72Å; I749-Y953 WeakPolarHBondContact CD1-OH 3.44Å; T949-Y953 WeakPolarHBondContact O-CB 3.34Å; T949-Y953 PolarHBondContact O-N 3.06Å; N950-Y953 PolarHBondContact O-N 2.96Å; Y953-N955 VanDerWaalsContact C-N 3.35Å; Y953-N955 PolarHBondContact O-N 3.15Å; Y953-I956 PolarHBondContact O-N 2.99Å; Y953-N957 VanDerWaalsContact O-CB 3.3Å; Y953-N957 WeakPolarHBondContact O-CB 3.25Å; Y953-N957 PolarHBondContact O-N 3.38Å; Y953-L1068 HydrophobicContact CD2-CD1 4.45Å
954	H	90.3	Very high	87.2	Confident	101 Å²	101	54.2 Å²	54.2	47%	0.468	27%	0.267	S	S	.	.	H	α-helix	trans	-63.6	-39.2	-179.4	-71.1	-55.7	0	0	0	112.7	N950 E951 V952 R958	N950-H954 PolarHBondContact O-CD2 3.41Å; N950-H954 PolarHBondContact O-N 2.85Å; E951-H954 PolarHBondContact O-N 3.48Å; V952-H954 PolarHBondContact O-N 3.14Å; H954-R958 VanDerWaalsContact O-CB 3.25Å; H954-R958 WeakPolarHBondContact O-CB 3.43Å; H954-R958 PolarHBondContact O-N 2.97Å
955	N	92.7	Very high	88.2	Confident	59 Å²	59	53.6 Å²	53.6	32%	0.316	26%	0.263	S	S	.	.	H	α-helix	trans	-65.6	-43.2	177.5	-76.3	-29.7	0	0	0	112.1	L925 E951 V952 Y953 Y959	L925-N955 HydrophobicContact CD2-CB 4.36Å; E951-N955 WeakPolarHBondContact O-CB 3.36Å; E951-N955 VanDerWaalsContact O-CG 3.27Å; E951-N955 PolarHBondContact O-N 2.83Å; E951-N955 PolarHBondContact O-ND2 3.38Å; V952-N955 PolarHBondContact O-N 3.42Å; Y953-N955 VanDerWaalsContact C-N 3.35Å; Y953-N955 PolarHBondContact O-N 3.15Å; N955-Y959 WeakPolarHBondContact O-CB 3.26Å; N955-Y959 PolarHBondContact O-N 2.99Å
956	I	92.7	Very high	88.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-68.1	-45	176.4	-65.9	172.6	0	0	0	110.6	F671 F922 L925 Y926 V952 Y953 R958 Y959 L960	F671-I956 HydrophobicContact CD1-CG2 4.01Å; F671-I956 HydrophobicContact CD2-CG2 3.8Å; F671-I956 HydrophobicContact CE1-CB 4.45Å; F671-I956 HydrophobicContact CE1-CG2 3.74Å; F671-I956 HydrophobicContact CE2-CB 3.91Å; F671-I956 HydrophobicContact CE2-CD1 4.47Å; F671-I956 HydrophobicContact CE2-CG2 3.51Å; F671-I956 HydrophobicContact CG-CG2 4.04Å; F671-I956 HydrophobicContact CZ-CB 3.8Å; F671-I956 HydrophobicContact CZ-CG2 3.47Å; F671-I956 VanDerWaalsContact CZ-CG2 3.47Å; F922-I956 HydrophobicContact CD2-CG2 3.93Å; F922-I956 HydrophobicContact CE2-CD1 4.34Å; F922-I956 HydrophobicContact CE2-CG2 3.52Å; F922-I956 HydrophobicContact CZ-CG2 4.5Å; L925-I956 HydrophobicContact CB-CD1 4.49Å; L925-I956 HydrophobicContact CB-CG1 3.79Å; L925-I956 HydrophobicContact CD1-CG1 4.29Å; Y926-I956 HydrophobicContact CD2-CD1 4.05Å; V952-I956 HydrophobicContact CG1-CD1 3.64Å; V952-I956 HydrophobicContact CG1-CG1 4.29Å; V952-I956 VanDerWaalsContact O-CG1 3.31Å; V952-I956 WeakPolarHBondContact O-CG1 3.49Å; V952-I956 PolarHBondContact O-N 3.03Å; Y953-I956 PolarHBondContact O-N 2.99Å; I956-R958 PolarHBondContact O-N 3.25Å; I956-Y959 WeakPolarHBondContact O-CB 3.38Å; I956-Y959 PolarHBondContact O-N 2.75Å; I956-L960 HydrophobicContact CG2-CD1 3.86Å; I956-L960 HydrophobicContact CG2-CG 4.26Å; I956-L960 PolarHBondContact O-N 3.24Å
957	N	93.2	Very high	88.9	Confident	14 Å²	14	56.4 Å²	56.4	8%	0.075	27%	0.266	C	S	.	.	H	α-helix	trans	-58.8	-47.7	178	-170.5	28.1	0	0	0	110.8	F671 I673 D674 Y953 Y959 L960 K961	F671-N957 HydrophobicContact CE1-CB 4.18Å; F671-N957 HydrophobicContact CZ-CB 4.18Å; I673-N957 WeakPolarHBondContact CA-OD1 3.33Å; I673-N957 VanDerWaalsContact CG2-OD1 3.23Å; I673-N957 WeakPolarHBondContact CG2-OD1 3.49Å; D674-N957 PolarHBondContact N-OD1 2.93Å; D674-N957 PolarHBondContact O-ND2 3.05Å; Y953-N957 VanDerWaalsContact O-CB 3.3Å; Y953-N957 WeakPolarHBondContact O-CB 3.25Å; Y953-N957 PolarHBondContact O-N 3.38Å; N957-Y959 VanDerWaalsContact C-N 3.33Å; N957-Y959 PolarHBondContact O-N 3.01Å; N957-L960 PolarHBondContact O-N 3.02Å; N957-K961 WeakPolarHBondContact O-CB 3.29Å; N957-K961 VanDerWaalsContact O-CG 3.3Å; N957-K961 WeakPolarHBondContact O-CG 3.45Å; N957-K961 PolarHBondContact O-N 2.94Å
958	R	92.3	Very high	88.9	Confident	154 Å²	154	58.2 Å²	58.2	58%	0.581	27%	0.269	S	S	*	.	H	α-helix	trans	-60.2	-42.1	175.9	-175.9	-177.5	-70.7	176.6	-2.4	112	H954 I956 R962	H954-R958 VanDerWaalsContact O-CB 3.25Å; H954-R958 WeakPolarHBondContact O-CB 3.43Å; H954-R958 PolarHBondContact O-N 2.97Å; I956-R958 PolarHBondContact O-N 3.25Å; R958-R962 WeakPolarHBondContact O-CG 3.03Å; R958-R962 PolarHBondContact O-N 2.9Å; R958-R962 VanDerWaalsContact O-N 3.17Å
959	Y	93.2	Very high	88.7	Confident	48 Å²	48	61.3 Å²	61.3	19%	0.188	29%	0.291	C	S	.	.	H	α-helix	trans	-63.5	-50.1	178.9	174.7	-113.3	0	0	0	112.2	L918 T921 L925 N955 I956 N957 R962 F963	L918-Y959 WeakPolarHBondContact CA-OH 3.34Å; L918-Y959 HydrophobicContact CD1-CE1 3.8Å; L918-Y959 WeakPolarHBondContact CD1-OH 3.24Å; L918-Y959 HydrophobicContact CG-CE1 4.37Å; T921-Y959 VanDerWaalsContact CB-OH 3.29Å; T921-Y959 WeakPolarHBondContact CB-OH 3.26Å; T921-Y959 HydrophobicContact CG2-CD1 4.47Å; T921-Y959 HydrophobicContact CG2-CD2 4.09Å; T921-Y959 HydrophobicContact CG2-CE1 3.97Å; T921-Y959 HydrophobicContact CG2-CE2 3.56Å; T921-Y959 VanDerWaalsContact CG2-CZ 3.47Å; L925-Y959 HydrophobicContact CD1-CD1 4.03Å; L925-Y959 HydrophobicContact CD1-CG 3.85Å; N955-Y959 WeakPolarHBondContact O-CB 3.26Å; N955-Y959 PolarHBondContact O-N 2.99Å; I956-Y959 WeakPolarHBondContact O-CB 3.38Å; I956-Y959 PolarHBondContact O-N 2.75Å; N957-Y959 VanDerWaalsContact C-N 3.33Å; N957-Y959 PolarHBondContact O-N 3.01Å; Y959-R962 PolarHBondContact O-N 3.01Å; Y959-F963 PolarHBondContact O-N 3.26Å
960	L	93.2	Very high	88.5	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-68.9	-37.3	-178.9	-66.8	176.7	0	0	0	112.2	F671 I673 F857 F922 I956 N957 F963 I964	F671-L960 HydrophobicContact CB-CD1 4.36Å; F671-L960 HydrophobicContact CD1-CD1 3.44Å; F671-L960 VanDerWaalsContact CD1-CD1 3.44Å; F671-L960 HydrophobicContact CE1-CD1 4Å; F671-L960 HydrophobicContact CG-CD1 4.06Å; I673-L960 HydrophobicContact CD1-CB 3.61Å; I673-L960 HydrophobicContact CD1-CD1 4.08Å; I673-L960 HydrophobicContact CD1-CG 4.45Å; I673-L960 HydrophobicContact CG1-CB 4.02Å; I673-L960 HydrophobicContact CG1-CD1 4.03Å; F857-L960 HydrophobicContact CB-CD1 4.39Å; F857-L960 HydrophobicContact CD2-CD2 4.43Å; F857-L960 HydrophobicContact CE2-CD2 4.38Å; F857-L960 HydrophobicContact CG-CD1 4.38Å; F922-L960 HydrophobicContact CE2-CD1 4.41Å; I956-L960 HydrophobicContact CG2-CD1 3.86Å; I956-L960 HydrophobicContact CG2-CG 4.26Å; I956-L960 PolarHBondContact O-N 3.24Å; N957-L960 PolarHBondContact O-N 3.02Å; L960-F963 PolarHBondContact O-N 2.99Å; L960-I964 WeakPolarHBondContact O-CG1 3.44Å; L960-I964 PolarHBondContact O-N 3.01Å
961	K	92.4	Very high	88.4	Confident	47 Å²	47	65.5 Å²	65.5	20%	0.204	32%	0.318	C	S	.	.	H	α-helix	trans	-53.5	-55.4	171	-79.8	-173	-177.7	-170.3	0	111.1	I673 D674 W675 N957 F963 I964 S965	I673-K961 HydrophobicContact CG2-CG 3.68Å; D674-K961 WeakPolarHBondContact O-CE 3.18Å; D674-K961 PolarHBondContact O-NZ 3.15Å; W675-K961 HydrophobicContact CD2-CG 4.37Å; W675-K961 HydrophobicContact CE3-CD 4.18Å; W675-K961 HydrophobicContact CE3-CG 3.98Å; W675-K961 HydrophobicContact CH2-CB 4.27Å; W675-K961 HydrophobicContact CH2-CG 4.16Å; W675-K961 HydrophobicContact CZ3-CB 4.1Å; W675-K961 HydrophobicContact CZ3-CD 4.39Å; W675-K961 HydrophobicContact CZ3-CG 3.87Å; N957-K961 WeakPolarHBondContact O-CB 3.29Å; N957-K961 VanDerWaalsContact O-CG 3.3Å; N957-K961 WeakPolarHBondContact O-CG 3.45Å; N957-K961 PolarHBondContact O-N 2.94Å; K961-F963 VanDerWaalsContact C-N 3.29Å; K961-F963 PolarHBondContact O-N 2.86Å; K961-I964 PolarHBondContact O-N 3.28Å; K961-I964 VanDerWaalsContact O-N 3.15Å; K961-S965 WeakPolarHBondContact O-CB 3.48Å; K961-S965 PolarHBondContact O-N 3.41Å; K961-S965 PolarHBondContact O-OG 3.33Å
962	R	91.4	Very high	88.4	Confident	131 Å²	131	62.6 Å²	62.6	49%	0.494	31%	0.306	S	S	.	.	H	α-helix	trans	-59.2	-38.6	-179.6	-74.9	179.6	176.3	-169.2	-2.8	112.9	R958 Y959 S965 R966 D967	R958-R962 WeakPolarHBondContact O-CG 3.03Å; R958-R962 PolarHBondContact O-N 2.9Å; R958-R962 VanDerWaalsContact O-N 3.17Å; Y959-R962 PolarHBondContact O-N 3.01Å; R962-S965 WeakPolarHBondContact CA-OG 3.36Å; R962-S965 PolarHBondContact O-OG 3.39Å; R962-R966 PolarHBondContact O-N 2.95Å; R962-R966 VanDerWaalsContact O-N 3.12Å; R962-D967 HydrophobicContact CG-CB 4.5Å; R962-D967 PolarHBondContact O-N 3.34Å
963	F	91.7	Very high	88.4	Confident	13 Å²	13	69.8 Å²	69.8	6%	0.057	33%	0.333	C	S	.	.	H	α-helix	trans	-64	-47.6	176	174.3	-110.3	0	0	0	111.4	L914 L918 Y959 L960 K961 R966 L972 Y974 F999	L914-F963 HydrophobicContact CD2-CE1 4.48Å; L918-F963 HydrophobicContact CD1-CB 4.2Å; L918-F963 HydrophobicContact CD1-CD1 3.7Å; L918-F963 HydrophobicContact CD1-CD2 3.66Å; L918-F963 HydrophobicContact CD1-CE1 3.91Å; L918-F963 HydrophobicContact CD1-CE2 3.88Å; L918-F963 HydrophobicContact CD1-CG 3.55Å; L918-F963 HydrophobicContact CD1-CZ 4Å; L918-F963 HydrophobicContact CD2-CD1 4.37Å; L918-F963 HydrophobicContact CD2-CE1 3.97Å; L918-F963 HydrophobicContact CD2-CZ 4.24Å; Y959-F963 PolarHBondContact O-N 3.26Å; L960-F963 PolarHBondContact O-N 2.99Å; K961-F963 VanDerWaalsContact C-N 3.29Å; K961-F963 PolarHBondContact O-N 2.86Å; F963-R966 PolarHBondContact O-N 3.1Å; F963-L972 HydrophobicContact CD2-CB 4.15Å; F963-L972 WeakPolarHBondContact CD2-O 3.24Å; F963-L972 HydrophobicContact CE2-CB 3.95Å; F963-L972 WeakPolarHBondContact CE2-O 3.42Å; F963-Y974 HydrophobicContact CE1-CD1 4.19Å; F963-Y974 HydrophobicContact CE2-CD1 4.06Å; F963-Y974 AromaticContact CZ-CD1 3.78Å; F963-Y974 HydrophobicContact CZ-CD1 3.78Å; F963-Y974 HydrophobicContact CZ-CG 4.38Å; F963-Y974 WeakPolarHBondContact O-CE1 3.27Å; F963-F999 HydrophobicContact CE1-CE2 4.13Å; F963-F999 AromaticContact CE1-CZ 3.95Å; F963-F999 HydrophobicContact CE1-CZ 3.95Å; F963-F999 HydrophobicContact CZ-CE2 4.29Å
964	I	91.6	Very high	88.4	Confident	5 Å²	5	68.7 Å²	68.7	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-68.6	-46	-179.3	-65.3	-62.4	0	0	0	111.9	W675 F857 Y867 L960 K961 R966 Y974 F999	W675-I964 HydrophobicContact CH2-CB 4.01Å; W675-I964 HydrophobicContact CH2-CG2 3.92Å; W675-I964 HydrophobicContact CZ2-CB 4.13Å; W675-I964 HydrophobicContact CZ2-CG2 3.89Å; F857-I964 HydrophobicContact CE2-CD1 4.24Å; Y867-I964 HydrophobicContact CD1-CD1 4.42Å; Y867-I964 HydrophobicContact CD2-CD1 4.33Å; Y867-I964 HydrophobicContact CE1-CD1 4.08Å; Y867-I964 HydrophobicContact CE1-CG2 4.37Å; Y867-I964 HydrophobicContact CE2-CD1 4.02Å; Y867-I964 HydrophobicContact CE2-CG1 4.15Å; L960-I964 WeakPolarHBondContact O-CG1 3.44Å; L960-I964 PolarHBondContact O-N 3.01Å; K961-I964 PolarHBondContact O-N 3.28Å; K961-I964 VanDerWaalsContact O-N 3.15Å; I964-R966 PolarHBondContact O-N 3.27Å; I964-Y974 PolarHBondContact O-OH 2.8Å; I964-F999 HydrophobicContact CD1-CE1 3.85Å; I964-F999 HydrophobicContact CD1-CZ 3.85Å
965	S	88.4	Confident	88.5	Confident	48 Å²	48	68.5 Å²	68.5	34%	0.336	32%	0.324	S	S	.	.	H	α-helix	trans	-70.2	-13.9	179.9	56	0	0	0	0	113.7	K961 R962 D967	K961-S965 WeakPolarHBondContact O-CB 3.48Å; K961-S965 PolarHBondContact O-N 3.41Å; K961-S965 PolarHBondContact O-OG 3.33Å; R962-S965 WeakPolarHBondContact CA-OG 3.36Å; R962-S965 PolarHBondContact O-OG 3.39Å; S965-D967 VanDerWaalsContact C-N 3.27Å; S965-D967 WeakPolarHBondContact CB-OD1 3.37Å; S965-D967 PolarHBondContact O-N 3.39Å; S965-D967 PolarHBondContact OG-OD1 3Å; S965-D967 PolarHBondContact OG-OD2 3.41Å
966	R	86.5	Confident	88.4	Confident	131 Å²	131	67.8 Å²	67.8	49%	0.494	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	34.2	-176.9	-52.8	174.3	174.9	170.8	-0.5	112.7	R962 F963 I964 D968 Y974	R962-R966 PolarHBondContact O-N 2.95Å; R962-R966 VanDerWaalsContact O-N 3.12Å; F963-R966 PolarHBondContact O-N 3.1Å; I964-R966 PolarHBondContact O-N 3.27Å; R966-D968 VanDerWaalsContact C-N 3.28Å; R966-D968 PolarHBondContact O-N 3.46Å; R966-Y974 HydrophobicContact CG-CE1 4.01Å; R966-Y974 VanDerWaalsContact NH2-CE2 3.27Å; R966-Y974 PolarHBondContact NH2-O 2.83Å
967	D	80.4	Confident	88.2	Confident	110 Å²	110	69.5 Å²	69.5	59%	0.588	33%	0.33	S	S	*	.			trans	-70.6	-21.4	-177.3	-66.6	-25.4	0	0	0	113.5	R962 S965 P969	R962-D967 HydrophobicContact CG-CB 4.5Å; R962-D967 PolarHBondContact O-N 3.34Å; S965-D967 VanDerWaalsContact C-N 3.27Å; S965-D967 WeakPolarHBondContact CB-OD1 3.37Å; S965-D967 PolarHBondContact O-N 3.39Å; S965-D967 PolarHBondContact OG-OD1 3Å; S965-D967 PolarHBondContact OG-OD2 3.41Å; D967-P969 WeakPolarHBondContact O-CD 3.39Å
968	D	78.9	Confident	88	Confident	87 Å²	87	77.7 Å²	77.7	47%	0.465	36%	0.359	S	S	.	.			trans	-98.9	109.6	-177.8	-172.4	2.7	0	0	0	111	R966 D970 G971	R966-D968 VanDerWaalsContact C-N 3.28Å; R966-D968 PolarHBondContact O-N 3.46Å; D968-D970 VanDerWaalsContact C-N 3.27Å; D968-D970 PolarHBondContact O-N 3.22Å; D968-D970 PolarHBondContact OD1-N 2.64Å; D968-G971 PolarHBondContact O-N 3.19Å; D968-G971 PolarHBondContact OD1-N 2.84Å; D968-G971 WeakPolarHBondContact OD2-CA 3.5Å
969	P	77.6	Confident	87.7	Confident	89 Å²	89	72.7 Å²	72.7	58%	0.578	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-34.1	-179.2	-18.9	30.3	0	0	0	113.3	D967 R973	D967-P969 WeakPolarHBondContact O-CD 3.39Å; P969-R973 PolarHBondContact O-NH2 2.95Å
970	D	80.3	Confident	87.4	Confident	160 Å²	160	76.1 Å²	76.1	86%	0.856	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	2.7	-177.9	-65.6	-30.3	0	0	0	112.3	D968	D968-D970 VanDerWaalsContact C-N 3.27Å; D968-D970 PolarHBondContact O-N 3.22Å; D968-D970 PolarHBondContact OD1-N 2.64Å
971	G	82.4	Confident	87	Confident	24 Å²	24	79.6 Å²	79.6	25%	0.247	39%	0.385	C	S	.	.	S	Bend	trans	-76.9	176.4	179.9	0	0	0	0	0	114.1	D968 R973	D968-G971 PolarHBondContact O-N 3.19Å; D968-G971 PolarHBondContact OD1-N 2.84Å; D968-G971 WeakPolarHBondContact OD2-CA 3.5Å; G971-R973 PolarHBondContact O-N 2.85Å
972	L	87.8	Confident	86.6	Confident	60 Å²	60	83.2 Å²	83.2	31%	0.314	40%	0.401	S	S	.	.			trans	-64.8	130.8	173.6	-66.4	165.9	0	0	0	110.2	P915 G917 L918 F963	P915-L972 HydrophobicContact CB-CD2 4.22Å; P915-L972 HydrophobicContact CG-CB 4.23Å; P915-L972 HydrophobicContact CG-CD1 4.39Å; P915-L972 HydrophobicContact CG-CD2 4.19Å; G917-L972 VanDerWaalsContact C-CD1 3.47Å; L918-L972 VanDerWaalsContact CA-CD1 3.46Å; L918-L972 HydrophobicContact CB-CD1 3.84Å; L918-L972 HydrophobicContact CD1-CD1 4.31Å; F963-L972 HydrophobicContact CD2-CB 4.15Å; F963-L972 WeakPolarHBondContact CD2-O 3.24Å; F963-L972 HydrophobicContact CE2-CB 3.95Å; F963-L972 WeakPolarHBondContact CE2-O 3.42Å
973	R	88.3	Confident	86.3	Confident	155 Å²	155	77.1 Å²	77.1	59%	0.585	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	158.1	-178.2	-61.8	-174.1	-178	-173.2	1.2	111.7	P969 G971 E996 G997	P969-R973 PolarHBondContact O-NH2 2.95Å; G971-R973 PolarHBondContact O-N 2.85Å; R973-E996 WeakPolarHBondContact O-CA 3.35Å; R973-G997 PolarHBondContact O-N 3.47Å
974	Y	92.1	Very high	85.9	Confident	7 Å²	7	80.6 Å²	80.6	3%	0.027	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	151.1	169.5	71	-87.3	0	0	0	110.5	I901 F963 I964 R966 I976 G997 F999	I901-Y974 WeakPolarHBondContact CG2-OH 3.41Å; F963-Y974 HydrophobicContact CE1-CD1 4.19Å; F963-Y974 HydrophobicContact CE2-CD1 4.06Å; F963-Y974 AromaticContact CZ-CD1 3.78Å; F963-Y974 HydrophobicContact CZ-CD1 3.78Å; F963-Y974 HydrophobicContact CZ-CG 4.38Å; F963-Y974 WeakPolarHBondContact O-CE1 3.27Å; I964-Y974 PolarHBondContact O-OH 2.8Å; R966-Y974 HydrophobicContact CG-CE1 4.01Å; R966-Y974 VanDerWaalsContact NH2-CE2 3.27Å; R966-Y974 PolarHBondContact NH2-O 2.83Å; Y974-I976 HydrophobicContact CD2-CG1 4.33Å; Y974-I976 HydrophobicContact CE2-CD1 4.25Å; Y974-I976 HydrophobicContact CE2-CG1 3.93Å; Y974-G997 CarbonylContact C-O 3.43Å; Y974-G997 WeakPolarHBondContact CA-O 3.44Å; Y974-G997 WeakPolarHBondContact CB-O 3.22Å; Y974-F999 HydrophobicContact CD1-CE2 4.11Å; Y974-F999 HydrophobicContact CD1-CZ 4.45Å; Y974-F999 HydrophobicContact CD2-CB 3.95Å; Y974-F999 HydrophobicContact CD2-CD1 4.09Å; Y974-F999 AromaticContact CD2-CD2 3.23Å; Y974-F999 HydrophobicContact CD2-CD2 3.23Å; Y974-F999 HydrophobicContact CD2-CE1 4.41Å; Y974-F999 AromaticContact CD2-CE2 3.64Å; Y974-F999 HydrophobicContact CD2-CE2 3.64Å; Y974-F999 AromaticContact CD2-CG 3.49Å; Y974-F999 HydrophobicContact CD2-CG 3.49Å; Y974-F999 VanDerWaalsContact CD2-CG 3.49Å; Y974-F999 HydrophobicContact CD2-CZ 4.2Å; Y974-F999 HydrophobicContact CE2-CB 4.28Å; Y974-F999 AromaticContact CE2-CD1 3.95Å; Y974-F999 HydrophobicContact CE2-CD1 3.95Å; Y974-F999 AromaticContact CE2-CD2 3.94Å; Y974-F999 HydrophobicContact CE2-CD2 3.94Å; Y974-F999 HydrophobicContact CE2-CE1 4.22Å; Y974-F999 HydrophobicContact CE2-CE2 4.22Å; Y974-F999 AromaticContact CE2-CG 3.8Å; Y974-F999 HydrophobicContact CE2-CG 3.8Å; Y974-F999 HydrophobicContact CE2-CZ 4.34Å; Y974-F999 AromaticContact CG-CD2 3.57Å; Y974-F999 HydrophobicContact CG-CD2 3.57Å; Y974-F999 AromaticContact CG-CE2 3.57Å; Y974-F999 HydrophobicContact CG-CE2 3.57Å; Y974-F999 HydrophobicContact CG-CG 4.28Å; Y974-F999 HydrophobicContact CG-CZ 4.25Å
975	R	90.9	Very high	85.5	Confident	97 Å²	97	86.9 Å²	86.9	37%	0.366	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	146.7	172.3	63.8	177.8	-168.2	-141.5	2.2	111.3	V977 D991 E996 G997 L998 F999	R975-V977 HydrophobicContact CG-CG1 4.05Å; R975-D991 IonicContact CZ-OD2 2.67Å; R975-D991 IonicContact NH2-OD2 2.69Å; R975-D991 PolarHBondContact NH2-OD2 2.96Å; R975-E996 IonicContact NH1-OE2 2.65Å; R975-G997 PolarHBondContact N-O 2.63Å; R975-L998 HydrophobicContact CG-CD2 3.39Å; R975-F999 PolarHBondContact O-N 2.87Å
976	I	90.1	Very high	85.2	Confident	43 Å²	43	87.3 Å²	87.3	22%	0.221	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	124.9	175.3	-62	166	0	0	0	107.7	I901 T902 Y910 Y974 F999 I1001	I901-I976 HydrophobicContact CB-CD1 4.13Å; I901-I976 HydrophobicContact CG2-CD1 3.9Å; T902-I976 HydrophobicContact CG2-CD1 3.57Å; Y910-I976 HydrophobicContact CE1-CG2 4.12Å; Y974-I976 HydrophobicContact CD2-CG1 4.33Å; Y974-I976 HydrophobicContact CE2-CD1 4.25Å; Y974-I976 HydrophobicContact CE2-CG1 3.93Å; I976-F999 CarbonylContact C-O 3.44Å; I976-F999 VanDerWaalsContact CA-O 3.26Å; I976-F999 WeakPolarHBondContact CA-O 3.31Å; I976-F999 HydrophobicContact CG1-CB 4Å; I976-I1001 HydrophobicContact CG2-CD1 3.95Å; I976-I1001 HydrophobicContact CG2-CG1 3.68Å
977	V	90.5	Very high	85.1	Confident	36 Å²	36	83.7 Å²	83.7	22%	0.218	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	162	-174.9	-72	0	0	0	0	110.2	R975 L998 F999 Y1000 I1001	R975-V977 HydrophobicContact CG-CG1 4.05Å; V977-L998 HydrophobicContact CG2-CB 4.29Å; V977-L998 HydrophobicContact CG2-CD2 4.22Å; V977-F999 PolarHBondContact N-O 2.98Å; V977-Y1000 HydrophobicContact CG2-CD1 3.54Å; V977-Y1000 HydrophobicContact CG2-CE1 3.61Å; V977-Y1000 HydrophobicContact CG2-CG 4.27Å; V977-Y1000 CarbonylContact O-C 3.58Å; V977-Y1000 VanDerWaalsContact O-CA 3.24Å; V977-Y1000 WeakPolarHBondContact O-CA 2.99Å; V977-I1001 PolarHBondContact O-N 3.4Å
978	R	88.3	Confident	85.3	Confident	186 Å²	186	78.6 Å²	78.6	70%	0.702	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-98.4	147.3	166	-70.1	-172	176.6	134.9	1.3	109.4	I1001	R978-I1001 HydrophobicContact CG-CB 4.36Å; R978-I1001 HydrophobicContact CG-CD1 4.03Å
979	R	86.4	Confident	85.5	Confident	49 Å²	49	75.1 Å²	75.1	19%	0.185	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-68.2	146.1	175.5	-64.4	-170.7	77.8	-155.9	9.3	110.4	R911 E983 D984 D987 G988 Y1000	R911-R979 VanDerWaalsContact NH1-CZ 3.33Å; R911-R979 VanDerWaalsContact NH1-NH2 3.17Å; R979-E983 WeakPolarHBondContact CA-OE2 3.42Å; R979-E983 HydrophobicContact CB-CB 4.41Å; R979-E983 PolarHBondContact NH2-O 3.42Å; R979-D984 WeakPolarHBondContact CB-OD1 3.18Å; R979-D984 VanDerWaalsContact CD-OD1 3.23Å; R979-D984 WeakPolarHBondContact CD-OD1 3.32Å; R979-D984 IonicContact CZ-OD1 3.3Å; R979-D984 IonicContact NE-OD1 3.89Å; R979-D984 PolarHBondContact NE-OD1 2.84Å; R979-D984 IonicContact NH1-OD1 2.73Å; R979-D984 PolarHBondContact NH1-OD1 2.78Å; R979-D987 IonicContact NH1-OD1 3.97Å; R979-D987 IonicContact NH2-OD1 2.65Å; R979-G988 PolarHBondContact NH2-O 3.48Å; R979-Y1000 HydrophobicContact CB-CD1 4.32Å; R979-Y1000 HydrophobicContact CG-CD1 3.32Å; R979-Y1000 HydrophobicContact CG-CE1 4Å; R979-Y1000 HydrophobicContact CG-CG 3.66Å
980	K	87.3	Confident	85.7	Confident	120 Å²	120	74.4 Å²	74.4	52%	0.522	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-80.3	148.4	169.2	-62.3	166	-170.6	151.7	0	108.2	F982 E983 D984 D991	K980-F982 PolarHBondContact O-N 3.15Å; K980-E983 HydrophobicContact CB-CG 4.24Å; K980-E983 PolarHBondContact N-OE2 2.91Å; K980-E983 IonicContact NZ-OE1 3.65Å; K980-E983 WeakPolarHBondContact O-CA 3.26Å; K980-E983 VanDerWaalsContact O-CB 3.3Å; K980-E983 WeakPolarHBondContact O-CB 3.32Å; K980-E983 PolarHBondContact O-N 3.48Å; K980-D984 PolarHBondContact O-N 2.87Å; K980-D984 VanDerWaalsContact O-N 3.16Å; K980-D991 IonicContact NZ-OD1 3.07Å
981	A	83.8	Confident	85.9	Confident	73 Å²	73	69 Å²	69	60%	0.603	33%	0.331	S	S	*	.	H	α-helix	trans	-52	-35	179.7	0	0	0	0	0	113.8	D984 I985	A981-D984 PolarHBondContact O-N 3.16Å; A981-I985 WeakPolarHBondContact O-CG1 3.36Å; A981-I985 PolarHBondContact O-N 2.92Å; A981-I985 VanDerWaalsContact O-N 3.1Å
982	F	83.6	Confident	86	Confident	123 Å²	123	73.3 Å²	73.3	54%	0.539	35%	0.349	S	S	.	.	H	α-helix	trans	-71.9	-32.3	177.2	-170.5	-109.3	0	0	0	113.6	K980 D984 I985 I986 F990	K980-F982 PolarHBondContact O-N 3.15Å; F982-D984 VanDerWaalsContact C-N 3.31Å; F982-I985 PolarHBondContact O-N 3.22Å; F982-I986 HydrophobicContact CD1-CD1 4.32Å; F982-I986 HydrophobicContact CD2-CD1 4.44Å; F982-I986 HydrophobicContact CE1-CD1 3.53Å; F982-I986 HydrophobicContact CE2-CD1 3.67Å; F982-I986 HydrophobicContact CE2-CG1 4.31Å; F982-I986 HydrophobicContact CZ-CD1 3.16Å; F982-I986 HydrophobicContact CZ-CG1 4.2Å; F982-I986 PolarHBondContact O-N 2.67Å; F982-F990 HydrophobicContact CD1-CD2 4.37Å; F982-F990 AromaticContact CD1-CE2 3.47Å; F982-F990 HydrophobicContact CD1-CE2 3.47Å; F982-F990 VanDerWaalsContact CD1-CE2 3.47Å; F982-F990 AromaticContact CD1-CZ 3.67Å; F982-F990 HydrophobicContact CD1-CZ 3.67Å; F982-F990 HydrophobicContact CE1-CE1 4.25Å; F982-F990 AromaticContact CE1-CE2 3.81Å; F982-F990 HydrophobicContact CE1-CE2 3.81Å; F982-F990 AromaticContact CE1-CZ 3.47Å; F982-F990 HydrophobicContact CE1-CZ 3.47Å; F982-F990 VanDerWaalsContact CE1-CZ 3.47Å
983	E	86.1	Confident	85.8	Confident	3 Å²	3	71.6 Å²	71.6	1%	0.014	34%	0.341	C	S	.	.	H	α-helix	trans	-64	-41.1	172.2	-69.2	166.8	170.8	0	0	109.8	R979 K980 D987 G988 F990	R979-E983 WeakPolarHBondContact CA-OE2 3.42Å; R979-E983 HydrophobicContact CB-CB 4.41Å; R979-E983 PolarHBondContact NH2-O 3.42Å; K980-E983 HydrophobicContact CB-CG 4.24Å; K980-E983 PolarHBondContact N-OE2 2.91Å; K980-E983 IonicContact NZ-OE1 3.65Å; K980-E983 WeakPolarHBondContact O-CA 3.26Å; K980-E983 VanDerWaalsContact O-CB 3.3Å; K980-E983 WeakPolarHBondContact O-CB 3.32Å; K980-E983 PolarHBondContact O-N 3.48Å; E983-D987 VanDerWaalsContact O-CA 3.24Å; E983-D987 WeakPolarHBondContact O-CA 3.3Å; E983-D987 PolarHBondContact O-N 2.69Å; E983-G988 WeakPolarHBondContact CB-O 3.38Å; E983-G988 WeakPolarHBondContact CG-O 3.41Å; E983-G988 PolarHBondContact O-N 2.8Å; E983-F990 HydrophobicContact CG-CD2 3.5Å; E983-F990 VanDerWaalsContact CG-CD2 3.5Å; E983-F990 HydrophobicContact CG-CE2 3.81Å
984	D	83	Confident	85.6	Confident	86 Å²	86	67.3 Å²	67.3	46%	0.46	33%	0.332	S	S	.	.	H	α-helix	trans	-64.7	-41.6	176.6	-67.5	-36.6	0	0	0	113	R979 K980 A981 F982	R979-D984 WeakPolarHBondContact CB-OD1 3.18Å; R979-D984 VanDerWaalsContact CD-OD1 3.23Å; R979-D984 WeakPolarHBondContact CD-OD1 3.32Å; R979-D984 IonicContact CZ-OD1 3.3Å; R979-D984 IonicContact NE-OD1 3.89Å; R979-D984 PolarHBondContact NE-OD1 2.84Å; R979-D984 IonicContact NH1-OD1 2.73Å; R979-D984 PolarHBondContact NH1-OD1 2.78Å; K980-D984 PolarHBondContact O-N 2.87Å; K980-D984 VanDerWaalsContact O-N 3.16Å; A981-D984 PolarHBondContact O-N 3.16Å; F982-D984 VanDerWaalsContact C-N 3.31Å
985	I	82.3	Confident	85.2	Confident	138 Å²	138	75.1 Å²	75.1	71%	0.708	37%	0.366	S	S	*	.	H	α-helix	trans	-66	-45.2	-179.9	-68.5	165	0	0	0	112.1	A981 F982 D987	A981-I985 WeakPolarHBondContact O-CG1 3.36Å; A981-I985 PolarHBondContact O-N 2.92Å; A981-I985 VanDerWaalsContact O-N 3.1Å; F982-I985 PolarHBondContact O-N 3.22Å; I985-D987 VanDerWaalsContact C-N 3.34Å
986	I	83.2	Confident	85.1	Confident	57 Å²	57	74.2 Å²	74.2	29%	0.292	37%	0.366	S	S	.	.	H	α-helix	trans	-84.4	-14.7	-176.8	-70.9	-172.2	0	0	0	112.2	I577 I581 F982 G988 F990	I577-I986 HydrophobicContact CG2-CG2 4.4Å; I581-I986 HydrophobicContact CD1-CG2 3.8Å; I581-I986 WeakPolarHBondContact CD1-O 3.24Å; F982-I986 HydrophobicContact CD1-CD1 4.32Å; F982-I986 HydrophobicContact CD2-CD1 4.44Å; F982-I986 HydrophobicContact CE1-CD1 3.53Å; F982-I986 HydrophobicContact CE2-CD1 3.67Å; F982-I986 HydrophobicContact CE2-CG1 4.31Å; F982-I986 HydrophobicContact CZ-CD1 3.16Å; F982-I986 HydrophobicContact CZ-CG1 4.2Å; F982-I986 PolarHBondContact O-N 2.67Å; I986-G988 VanDerWaalsContact C-N 3.28Å; I986-F990 HydrophobicContact CD1-CZ 4.35Å; I986-F990 HydrophobicContact CG2-CZ 4.45Å
987	D	84.1	Confident	85.1	Confident	55 Å²	55	72.2 Å²	72.2	29%	0.294	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	43.8	-164.5	-167.4	42.2	0	0	0	112.7	I581 R585 R911 R979 E983 I985	I581-D987 WeakPolarHBondContact CG2-O 3.24Å; R585-D987 IonicContact CZ-OD2 3.31Å; R585-D987 IonicContact NH1-OD2 3.83Å; R585-D987 PolarHBondContact NH1-OD2 2.87Å; R585-D987 PolarHBondContact NH2-O 2.63Å; R585-D987 IonicContact NH2-OD1 3.92Å; R585-D987 PolarHBondContact NH2-OD1 2.8Å; R585-D987 IonicContact NH2-OD2 3.13Å; R585-D987 PolarHBondContact NH2-OD2 2.74Å; R585-D987 VanDerWaalsContact NH2-OD2 3.12Å; R911-D987 IonicContact CZ-OD1 3.27Å; R911-D987 IonicContact NH1-OD1 3.12Å; R911-D987 PolarHBondContact NH1-OD1 3.08Å; R911-D987 VanDerWaalsContact NH2-CG 3.31Å; R911-D987 IonicContact NH2-OD1 2.85Å; R911-D987 PolarHBondContact NH2-OD1 2.89Å; R911-D987 IonicContact NH2-OD2 3.64Å; R911-D987 PolarHBondContact NH2-OD2 2.85Å; R911-D987 VanDerWaalsContact NH2-OD2 3.13Å; R979-D987 IonicContact NH1-OD1 3.97Å; R979-D987 IonicContact NH2-OD1 2.65Å; E983-D987 VanDerWaalsContact O-CA 3.24Å; E983-D987 WeakPolarHBondContact O-CA 3.3Å; E983-D987 PolarHBondContact O-N 2.69Å; I985-D987 VanDerWaalsContact C-N 3.34Å
988	G	83.8	Confident	85.2	Confident	2 Å²	2	70.6 Å²	70.6	2%	0.021	35%	0.346	C	S	.	.			trans	-123.5	149.3	-178.8	0	0	0	0	0	113.1	R979 E983 I986	R979-G988 PolarHBondContact NH2-O 3.48Å; E983-G988 WeakPolarHBondContact CB-O 3.38Å; E983-G988 WeakPolarHBondContact CG-O 3.41Å; E983-G988 PolarHBondContact O-N 2.8Å; I986-G988 VanDerWaalsContact C-N 3.28Å
989	E	83.9	Confident	85.4	Confident	15 Å²	15	61.8 Å²	61.8	7%	0.07	31%	0.313	C	S	.	.			trans	-99.2	120.8	170.2	-62.2	73.9	-145.4	0	0	109	R584 R585 R911 A913 Y1000	R584-E989 PolarHBondContact NH1-O 2.9Å; R584-E989 PolarHBondContact NH2-O 3.34Å; R585-E989 IonicContact CZ-OE1 2.75Å; R585-E989 IonicContact CZ-OE2 3.65Å; R585-E989 IonicContact NE-OE1 3.11Å; R585-E989 IonicContact NE-OE2 3.62Å; R585-E989 PolarHBondContact NE-OE2 3.14Å; R585-E989 IonicContact NH2-OE1 3.94Å; R585-E989 PolarHBondContact NH2-OE1 2.92Å; R585-E989 IonicContact NH2-OE2 3.56Å; R585-E989 PolarHBondContact NH2-OE2 2.91Å; R911-E989 IonicContact CZ-OE1 3.99Å; R911-E989 IonicContact NH1-OE1 3.98Å; R911-E989 PolarHBondContact NH1-OE1 3.35Å; A913-E989 HydrophobicContact CB-CG 4.22Å; E989-Y1000 HydrophobicContact CG-CE2 3.82Å
990	F	82.1	Confident	85.7	Confident	74 Å²	74	59.5 Å²	59.5	33%	0.325	30%	0.304	S	S	.	.			trans	-93	-29.5	-176.7	-65.9	-73.1	0	0	0	113.9	W580 R584 F982 E983 I986	W580-F990 HydrophobicContact CH2-CE1 4.25Å; W580-F990 HydrophobicContact CZ3-CE1 4.48Å; R584-F990 PolarHBondContact NH2-O 3.39Å; F982-F990 HydrophobicContact CD1-CD2 4.37Å; F982-F990 AromaticContact CD1-CE2 3.47Å; F982-F990 HydrophobicContact CD1-CE2 3.47Å; F982-F990 VanDerWaalsContact CD1-CE2 3.47Å; F982-F990 AromaticContact CD1-CZ 3.67Å; F982-F990 HydrophobicContact CD1-CZ 3.67Å; F982-F990 HydrophobicContact CE1-CE1 4.25Å; F982-F990 AromaticContact CE1-CE2 3.81Å; F982-F990 HydrophobicContact CE1-CE2 3.81Å; F982-F990 AromaticContact CE1-CZ 3.47Å; F982-F990 HydrophobicContact CE1-CZ 3.47Å; F982-F990 VanDerWaalsContact CE1-CZ 3.47Å; E983-F990 HydrophobicContact CG-CD2 3.5Å; E983-F990 VanDerWaalsContact CG-CD2 3.5Å; E983-F990 HydrophobicContact CG-CE2 3.81Å; I986-F990 HydrophobicContact CD1-CZ 4.35Å; I986-F990 HydrophobicContact CG2-CZ 4.45Å
991	D	84.7	Confident	85.8	Confident	45 Å²	45	55.3 Å²	55.3	24%	0.241	29%	0.287	C	S	.	.	S	Bend	trans	-67.4	151.3	179.7	-71.1	-10.5	0	0	0	112.2	R584 R975 K980 L998	R584-D991 PolarHBondContact NH2-O 2.91Å; R975-D991 IonicContact CZ-OD2 2.67Å; R975-D991 IonicContact NH2-OD2 2.69Å; R975-D991 PolarHBondContact NH2-OD2 2.96Å; K980-D991 IonicContact NZ-OD1 3.07Å; D991-L998 HydrophobicContact CB-CD1 3.51Å
992	D	82.9	Confident	85.8	Confident	116 Å²	116	52.9 Å²	52.9	62%	0.62	26%	0.264	S	S	*	.			trans	-81.1	116.7	173.4	-177.8	10.1	0	0	0	110	T994	D992-T994 VanDerWaalsContact OD1-CB 3.26Å; D992-T994 WeakPolarHBondContact OD1-CB 3.42Å; D992-T994 PolarHBondContact OD1-N 2.91Å; D992-T994 PolarHBondContact OD1-OG1 2.84Å
993	T	84.8	Confident	85.5	Confident	24 Å²	24	53.9 Å²	53.9	15%	0.147	28%	0.275	C	S	.	.			trans	-103.9	16.2	-179.2	65.6	0	0	0	0	113.3	A913 P915 F995 E996 L998	A913-T993 HydrophobicContact CB-CG2 3.64Å; P915-T993 WeakPolarHBondContact CA-O 2.97Å; T993-F995 VanDerWaalsContact C-N 3.32Å; T993-F995 PolarHBondContact O-N 3.02Å; T993-E996 CarbonylContact C-O 3.56Å; T993-E996 VanDerWaalsContact CA-O 3.23Å; T993-E996 WeakPolarHBondContact CA-O 3.2Å; T993-L998 HydrophobicContact CG2-CB 4.34Å; T993-L998 HydrophobicContact CG2-CD1 3.43Å; T993-L998 VanDerWaalsContact CG2-CD1 3.43Å; T993-L998 HydrophobicContact CG2-CG 3.66Å
994	T	82.9	Confident	85	Confident	65 Å²	65	56.4 Å²	56.4	40%	0.399	30%	0.302	S	S	.	.	S	Bend	trans	-60.1	-41.4	-174.4	-60.1	0	0	0	0	112.5	D992	D992-T994 VanDerWaalsContact OD1-CB 3.26Å; D992-T994 WeakPolarHBondContact OD1-CB 3.42Å; D992-T994 PolarHBondContact OD1-N 2.91Å; D992-T994 PolarHBondContact OD1-OG1 2.84Å
995	F	84.1	Confident	85.1	Confident	171 Å²	171	53.2 Å²	53.2	75%	0.75	29%	0.285	S	S	*	.	S	Bend	trans	-108.6	-31.1	-175.6	-58.5	-73.3	0	0	0	113.8	T993	T993-F995 VanDerWaalsContact C-N 3.32Å; T993-F995 PolarHBondContact O-N 3.02Å
996	E	88.8	Confident	85.3	Confident	78 Å²	78	47.9 Å²	47.9	36%	0.364	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.3	-179.8	-174.2	-179.1	-150.3	0	0	109.4	R973 R975 T993	R973-E996 WeakPolarHBondContact O-CA 3.35Å; R975-E996 IonicContact NH1-OE2 2.65Å; T993-E996 CarbonylContact C-O 3.56Å; T993-E996 VanDerWaalsContact CA-O 3.23Å; T993-E996 WeakPolarHBondContact CA-O 3.2Å
997	G	91	Very high	85.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	158.7	176.5	0	0	0	0	0	113.5	A913 R973 Y974 R975	A913-G997 CarbonylContact O-C 3.46Å; A913-G997 WeakPolarHBondContact O-CA 3.37Å; R973-G997 PolarHBondContact O-N 3.47Å; Y974-G997 CarbonylContact C-O 3.43Å; Y974-G997 WeakPolarHBondContact CA-O 3.44Å; Y974-G997 WeakPolarHBondContact CB-O 3.22Å; R975-G997 PolarHBondContact N-O 2.63Å
998	L	92.2	Very high	86.1	Confident	3 Å²	3	42.7 Å²	42.7	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	126.2	174	-58.3	172.8	0	0	0	109.6	M912 A913 R975 V977 D991 T993 Y1000	M912-L998 CarbonylContact C-O 3.58Å; M912-L998 WeakPolarHBondContact CA-O 2.99Å; A913-L998 HydrophobicContact CB-CB 4.3Å; A913-L998 PolarHBondContact N-O 3.03Å; A913-L998 PolarHBondContact O-N 3.29Å; R975-L998 HydrophobicContact CG-CD2 3.39Å; V977-L998 HydrophobicContact CG2-CB 4.29Å; V977-L998 HydrophobicContact CG2-CD2 4.22Å; D991-L998 HydrophobicContact CB-CD1 3.51Å; T993-L998 HydrophobicContact CG2-CB 4.34Å; T993-L998 HydrophobicContact CG2-CD1 3.43Å; T993-L998 VanDerWaalsContact CG2-CD1 3.43Å; T993-L998 HydrophobicContact CG2-CG 3.66Å; L998-Y1000 HydrophobicContact CB-CD2 4.39Å; L998-Y1000 HydrophobicContact CB-CE2 3.81Å; L998-Y1000 HydrophobicContact CD1-CE2 4.36Å; L998-Y1000 VanDerWaalsContact CD1-OH 3.24Å; L998-Y1000 WeakPolarHBondContact CD1-OH 3.35Å
999	F	93.1	Very high	86.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	101.8	172.6	-82.8	-127	0	0	0	107	Y867 I901 Y910 M912 L914 F963 I964 Y974 R975 I976 V977	Y867-F999 HydrophobicContact CD1-CD1 4.43Å; Y867-F999 AromaticContact CD1-CE1 3.92Å; Y867-F999 HydrophobicContact CD1-CE1 3.92Å; Y867-F999 HydrophobicContact CG-CE1 4.18Å; I901-F999 HydrophobicContact CD1-CD1 3.75Å; I901-F999 HydrophobicContact CD1-CE1 4.07Å; Y910-F999 HydrophobicContact CD1-CB 4.16Å; Y910-F999 HydrophobicContact CD1-CD1 4.36Å; Y910-F999 HydrophobicContact CG-CD1 4.18Å; M912-F999 HydrophobicContact CB-CE2 4.41Å; M912-F999 HydrophobicContact CG-CD1 3.98Å; M912-F999 HydrophobicContact CG-CD2 4.13Å; M912-F999 HydrophobicContact CG-CE1 3.73Å; M912-F999 HydrophobicContact CG-CE2 3.89Å; M912-F999 HydrophobicContact CG-CG 4.18Å; M912-F999 HydrophobicContact CG-CZ 3.69Å; M912-F999 HydrophobicContact SD-CD1 4.37Å; M912-F999 HydrophobicContact SD-CE1 3.53Å; M912-F999 VanDerWaalsContact SD-CE1 3.53Å; M912-F999 HydrophobicContact SD-CE2 3.89Å; M912-F999 HydrophobicContact SD-CZ 3.24Å; M912-F999 WeakPolarHBondContact SD-CZ 3.38Å; L914-F999 HydrophobicContact CD2-CE2 4.07Å; L914-F999 HydrophobicContact CD2-CZ 4.48Å; F963-F999 HydrophobicContact CE1-CE2 4.13Å; F963-F999 AromaticContact CE1-CZ 3.95Å; F963-F999 HydrophobicContact CE1-CZ 3.95Å; F963-F999 HydrophobicContact CZ-CE2 4.29Å; I964-F999 HydrophobicContact CD1-CE1 3.85Å; I964-F999 HydrophobicContact CD1-CZ 3.85Å; Y974-F999 HydrophobicContact CD1-CE2 4.11Å; Y974-F999 HydrophobicContact CD1-CZ 4.45Å; Y974-F999 HydrophobicContact CD2-CB 3.95Å; Y974-F999 HydrophobicContact CD2-CD1 4.09Å; Y974-F999 AromaticContact CD2-CD2 3.23Å; Y974-F999 HydrophobicContact CD2-CD2 3.23Å; Y974-F999 HydrophobicContact CD2-CE1 4.41Å; Y974-F999 AromaticContact CD2-CE2 3.64Å; Y974-F999 HydrophobicContact CD2-CE2 3.64Å; Y974-F999 AromaticContact CD2-CG 3.49Å; Y974-F999 HydrophobicContact CD2-CG 3.49Å; Y974-F999 VanDerWaalsContact CD2-CG 3.49Å; Y974-F999 HydrophobicContact CD2-CZ 4.2Å; Y974-F999 HydrophobicContact CE2-CB 4.28Å; Y974-F999 AromaticContact CE2-CD1 3.95Å; Y974-F999 HydrophobicContact CE2-CD1 3.95Å; Y974-F999 AromaticContact CE2-CD2 3.94Å; Y974-F999 HydrophobicContact CE2-CD2 3.94Å; Y974-F999 HydrophobicContact CE2-CE1 4.22Å; Y974-F999 HydrophobicContact CE2-CE2 4.22Å; Y974-F999 AromaticContact CE2-CG 3.8Å; Y974-F999 HydrophobicContact CE2-CG 3.8Å; Y974-F999 HydrophobicContact CE2-CZ 4.34Å; Y974-F999 AromaticContact CG-CD2 3.57Å; Y974-F999 HydrophobicContact CG-CD2 3.57Å; Y974-F999 AromaticContact CG-CE2 3.57Å; Y974-F999 HydrophobicContact CG-CE2 3.57Å; Y974-F999 HydrophobicContact CG-CG 4.28Å; Y974-F999 HydrophobicContact CG-CZ 4.25Å; R975-F999 PolarHBondContact O-N 2.87Å; I976-F999 CarbonylContact C-O 3.44Å; I976-F999 VanDerWaalsContact CA-O 3.26Å; I976-F999 WeakPolarHBondContact CA-O 3.31Å; I976-F999 HydrophobicContact CG1-CB 4Å; V977-F999 PolarHBondContact N-O 2.98Å
1000	Y	91.2	Very high	86.9	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	125.1	175.8	-61.2	-80.6	0	0	0	109.3	Y910 R911 A913 V977 R979 E989 L998 D1002	Y910-Y1000 CarbonylContact C-O 3.46Å; Y910-Y1000 VanDerWaalsContact CA-O 3.28Å; Y910-Y1000 WeakPolarHBondContact CA-O 3.47Å; R911-Y1000 PolarHBondContact N-O 3.28Å; R911-Y1000 PolarHBondContact O-N 3.34Å; A913-Y1000 HydrophobicContact CB-CE2 4.31Å; V977-Y1000 HydrophobicContact CG2-CD1 3.54Å; V977-Y1000 HydrophobicContact CG2-CE1 3.61Å; V977-Y1000 HydrophobicContact CG2-CG 4.27Å; V977-Y1000 CarbonylContact O-C 3.58Å; V977-Y1000 VanDerWaalsContact O-CA 3.24Å; V977-Y1000 WeakPolarHBondContact O-CA 2.99Å; R979-Y1000 HydrophobicContact CB-CD1 4.32Å; R979-Y1000 HydrophobicContact CG-CD1 3.32Å; R979-Y1000 HydrophobicContact CG-CE1 4Å; R979-Y1000 HydrophobicContact CG-CG 3.66Å; E989-Y1000 HydrophobicContact CG-CE2 3.82Å; L998-Y1000 HydrophobicContact CB-CD2 4.39Å; L998-Y1000 HydrophobicContact CB-CE2 3.81Å; L998-Y1000 HydrophobicContact CD1-CE2 4.36Å; L998-Y1000 VanDerWaalsContact CD1-OH 3.24Å; L998-Y1000 WeakPolarHBondContact CD1-OH 3.35Å; Y1000-D1002 PolarHBondContact O-N 3.38Å
1001	I	90.1	Very high	87.5	Confident	31 Å²	31	42 Å²	42	16%	0.159	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	128.4	170	-63.6	172.1	0	0	0	108.2	D907 Y910 I976 V977 R978	D907-I1001 HydrophobicContact CB-CG2 3.76Å; D907-I1001 VanDerWaalsContact CG-CG2 3.46Å; D907-I1001 VanDerWaalsContact OD2-CG2 3.31Å; D907-I1001 WeakPolarHBondContact OD2-CG2 3.46Å; Y910-I1001 HydrophobicContact CE1-CG1 4.25Å; I976-I1001 HydrophobicContact CG2-CD1 3.95Å; I976-I1001 HydrophobicContact CG2-CG1 3.68Å; V977-I1001 PolarHBondContact O-N 3.4Å; R978-I1001 HydrophobicContact CG-CB 4.36Å; R978-I1001 HydrophobicContact CG-CD1 4.03Å
1002	D	84.3	Confident	87.9	Confident	22 Å²	22	40.1 Å²	40.1	12%	0.118	22%	0.223	C	C	.	.			trans	-119.4	105.3	-175	171.5	25.8	0	0	0	110.8	T909 Y1000 G1004 N1005 S1006	T909-D1002 WeakPolarHBondContact O-CB 3.43Å; T909-D1002 PolarHBondContact O-N 2.92Å; T909-D1002 PolarHBondContact OG1-O 3.4Å; Y1000-D1002 PolarHBondContact O-N 3.38Å; D1002-G1004 VanDerWaalsContact C-N 3.28Å; D1002-G1004 PolarHBondContact O-N 2.81Å; D1002-G1004 PolarHBondContact OD1-N 3.39Å; D1002-N1005 PolarHBondContact OD1-N 3.34Å; D1002-S1006 WeakPolarHBondContact OD1-CB 3.21Å; D1002-S1006 PolarHBondContact OD1-N 3.33Å; D1002-S1006 PolarHBondContact OD1-OG 3.12Å; D1002-S1006 WeakPolarHBondContact OD2-CA 3.35Å; D1002-S1006 VanDerWaalsContact OD2-CB 3.22Å; D1002-S1006 WeakPolarHBondContact OD2-CB 3.46Å; D1002-S1006 PolarHBondContact OD2-N 2.82Å; D1002-S1006 PolarHBondContact OD2-OG 3.37Å
1003	D	77.1	Confident	88.4	Confident	144 Å²	144	35.5 Å²	35.5	77%	0.77	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-12.6	-179.4	-62.1	-28.3	0	0	0	113
1004	G	76.5	Confident	88.7	Confident	57 Å²	57	35.9 Å²	35.9	59%	0.588	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120	13.3	-163.6	0	0	0	0	0	115.9	D1002 S1006	D1002-G1004 VanDerWaalsContact C-N 3.28Å; D1002-G1004 PolarHBondContact O-N 2.81Å; D1002-G1004 PolarHBondContact OD1-N 3.39Å; G1004-S1006 VanDerWaalsContact C-N 3.33Å; G1004-S1006 PolarHBondContact O-N 2.77Å
1005	N	83.3	Confident	89.2	Confident	18 Å²	18	34.6 Å²	34.6	10%	0.096	20%	0.196	C	C	.	.			trans	52.9	46.8	-175.9	-60.8	-47	0	0	0	112.8	D840 L842 R843 D1002 F1007 G1008	D840-N1005 PolarHBondContact OD2-ND2 2.7Å; L842-N1005 HydrophobicContact CB-CB 3.84Å; L842-N1005 HydrophobicContact CD2-CB 3.99Å; R843-N1005 PolarHBondContact N-ND2 3.35Å; D1002-N1005 PolarHBondContact OD1-N 3.34Å; N1005-F1007 HydrophobicContact CB-CD1 4.09Å; N1005-F1007 HydrophobicContact CB-CE1 3.65Å; N1005-F1007 HydrophobicContact CB-CZ 4.41Å; N1005-F1007 PolarHBondContact O-N 3.29Å; N1005-G1008 PolarHBondContact O-N 2.97Å
1006	S	87.8	Confident	89.7	Confident	26 Å²	26	27.1 Å²	27.1	18%	0.182	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-56.4	-15.7	-178	68.2	0	0	0	0	115.1	Y866 D1002 G1004 G1008 D1009	Y866-S1006 WeakPolarHBondContact CD1-OG 3.42Å; Y866-S1006 VanDerWaalsContact CE1-C 3.44Å; Y866-S1006 VanDerWaalsContact CE1-O 3.23Å; Y866-S1006 WeakPolarHBondContact CE1-O 3.34Å; Y866-S1006 VanDerWaalsContact CE1-OG 3.24Å; Y866-S1006 WeakPolarHBondContact CE1-OG 3.29Å; D1002-S1006 WeakPolarHBondContact OD1-CB 3.21Å; D1002-S1006 PolarHBondContact OD1-N 3.33Å; D1002-S1006 PolarHBondContact OD1-OG 3.12Å; D1002-S1006 WeakPolarHBondContact OD2-CA 3.35Å; D1002-S1006 VanDerWaalsContact OD2-CB 3.22Å; D1002-S1006 WeakPolarHBondContact OD2-CB 3.46Å; D1002-S1006 PolarHBondContact OD2-N 2.82Å; D1002-S1006 PolarHBondContact OD2-OG 3.37Å; G1004-S1006 VanDerWaalsContact C-N 3.33Å; G1004-S1006 PolarHBondContact O-N 2.77Å; S1006-G1008 PolarHBondContact O-N 3.47Å; S1006-D1009 VanDerWaalsContact O-CB 3.32Å; S1006-D1009 WeakPolarHBondContact O-CB 3.45Å; S1006-D1009 PolarHBondContact O-N 2.94Å
1007	F	92.5	Very high	89.9	Confident	2 Å²	2	31.1 Å²	31.1	1%	0.009	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-57.1	-20.2	168.7	75.1	-94.8	0	0	0	112.6	W756 I759 L842 F845 L858 Y866 I868 T909 N1005 D1009 T1010 L1011	W756-F1007 HydrophobicContact CH2-CD2 4.42Å; W756-F1007 AromaticContact CZ3-CD2 3.95Å; W756-F1007 HydrophobicContact CZ3-CD2 3.95Å; W756-F1007 HydrophobicContact CZ3-CE2 4.19Å; I759-F1007 HydrophobicContact CD1-CE2 4.31Å; L842-F1007 HydrophobicContact CB-CE1 4.3Å; L842-F1007 HydrophobicContact CB-CE2 4.45Å; L842-F1007 HydrophobicContact CB-CZ 3.74Å; L842-F1007 HydrophobicContact CD2-CE2 4.25Å; L842-F1007 HydrophobicContact CD2-CZ 4.16Å; L842-F1007 HydrophobicContact CG-CE2 4.13Å; L842-F1007 HydrophobicContact CG-CZ 3.92Å; F845-F1007 HydrophobicContact CD1-CE2 4.13Å; F845-F1007 HydrophobicContact CD1-CZ 4.07Å; L858-F1007 HydrophobicContact CD1-CB 4.1Å; Y866-F1007 HydrophobicContact CD1-CB 4.14Å; Y866-F1007 HydrophobicContact CD2-CB 4.44Å; Y866-F1007 HydrophobicContact CG-CB 3.86Å; I868-F1007 HydrophobicContact CD1-CD1 3.87Å; I868-F1007 HydrophobicContact CD1-CD2 4.1Å; I868-F1007 HydrophobicContact CD1-CE1 3.89Å; I868-F1007 HydrophobicContact CD1-CE2 4.13Å; I868-F1007 HydrophobicContact CD1-CG 3.97Å; I868-F1007 HydrophobicContact CD1-CZ 4.02Å; I868-F1007 HydrophobicContact CG1-CD1 4.18Å; I868-F1007 HydrophobicContact CG1-CE1 4.46Å; I868-F1007 HydrophobicContact CG1-CG 4.49Å; T909-F1007 HydrophobicContact CG2-CD1 4.01Å; T909-F1007 HydrophobicContact CG2-CE1 4.01Å; N1005-F1007 HydrophobicContact CB-CD1 4.09Å; N1005-F1007 HydrophobicContact CB-CE1 3.65Å; N1005-F1007 HydrophobicContact CB-CZ 4.41Å; N1005-F1007 PolarHBondContact O-N 3.29Å; F1007-D1009 PolarHBondContact O-N 3.43Å; F1007-D1009 VanDerWaalsContact O-N 3.09Å; F1007-T1010 PolarHBondContact O-N 2.69Å; F1007-T1010 PolarHBondContact O-OG1 3.03Å; F1007-L1011 HydrophobicContact CD2-CD1 4.48Å; F1007-L1011 HydrophobicContact CE2-CD1 4.32Å
1008	G	91.5	Very high	90.1	Very high	2 Å²	2	32 Å²	32	2%	0.021	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-54.4	-21.2	169.9	0	0	0	0	0	114.6	N1005 S1006 T1010 L1011 G1014	N1005-G1008 PolarHBondContact O-N 2.97Å; S1006-G1008 PolarHBondContact O-N 3.47Å; G1008-T1010 PolarHBondContact O-N 2.96Å; G1008-L1011 WeakPolarHBondContact O-CA 3.18Å; G1008-L1011 WeakPolarHBondContact O-CB 3.36Å; G1008-L1011 PolarHBondContact O-N 3.39Å; G1008-G1014 WeakPolarHBondContact O-CA 3.22Å; G1008-G1014 PolarHBondContact O-N 3.3Å
1009	D	91.3	Very high	90.3	Very high	68 Å²	68	32.2 Å²	32.2	36%	0.364	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-60.4	-24.2	173.1	-67	-19.9	0	0	0	113	Y866 S1006 F1007 L1011 N1015	Y866-D1009 VanDerWaalsContact OH-CB 3.31Å; Y866-D1009 WeakPolarHBondContact OH-CB 3.45Å; Y866-D1009 PolarHBondContact OH-OD2 3.46Å; S1006-D1009 VanDerWaalsContact O-CB 3.32Å; S1006-D1009 WeakPolarHBondContact O-CB 3.45Å; S1006-D1009 PolarHBondContact O-N 2.94Å; F1007-D1009 PolarHBondContact O-N 3.43Å; F1007-D1009 VanDerWaalsContact O-N 3.09Å; D1009-L1011 VanDerWaalsContact C-N 3.26Å; D1009-N1015 PolarHBondContact O-ND2 2.85Å
1010	T	92.6	Very high	90.5	Very high	9 Å²	9	33.2 Å²	33.2	6%	0.055	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-83.3	-4	175.3	69.5	0	0	0	0	113.4	Q665 M668 A860 Y866 F1007 G1008	Q665-T1010 VanDerWaalsContact CD-O 3.26Å; Q665-T1010 WeakPolarHBondContact CG-O 3.35Å; Q665-T1010 PolarHBondContact NE2-O 3.23Å; M668-T1010 HydrophobicContact CE-CG2 3.87Å; M668-T1010 HydrophobicContact SD-CG2 4.24Å; A860-T1010 HydrophobicContact CB-CG2 4.16Å; Y866-T1010 HydrophobicContact CD2-CG2 3.82Å; Y866-T1010 HydrophobicContact CE2-CG2 3.65Å; F1007-T1010 PolarHBondContact O-N 2.69Å; F1007-T1010 PolarHBondContact O-OG1 3.03Å; G1008-T1010 PolarHBondContact O-N 2.96Å
1011	L	94.4	Very high	90.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-114.2	173.3	-177.5	-46.4	177	0	0	0	110	Q665 W756 I759 Q760 F1007 G1008 D1009 Y1013 N1015	Q665-L1011 VanDerWaalsContact NE2-C 3.31Å; Q665-L1011 PolarHBondContact NE2-O 2.61Å; W756-L1011 HydrophobicContact CH2-CD2 3.79Å; W756-L1011 HydrophobicContact CZ2-CD2 3.75Å; W756-L1011 HydrophobicContact CZ3-CD2 4.38Å; I759-L1011 HydrophobicContact CB-CD1 4.47Å; I759-L1011 HydrophobicContact CD1-CD1 3.91Å; I759-L1011 HydrophobicContact CG1-CD1 4.01Å; Q760-L1011 HydrophobicContact CG-CD2 4.41Å; F1007-L1011 HydrophobicContact CD2-CD1 4.48Å; F1007-L1011 HydrophobicContact CE2-CD1 4.32Å; G1008-L1011 WeakPolarHBondContact O-CA 3.18Å; G1008-L1011 WeakPolarHBondContact O-CB 3.36Å; G1008-L1011 PolarHBondContact O-N 3.39Å; D1009-L1011 VanDerWaalsContact C-N 3.26Å; L1011-Y1013 PolarHBondContact O-N 3.35Å; L1011-N1015 PolarHBondContact O-ND2 3.42Å
1012	Y	94.5	Very high	91.1	Very high	4 Å²	4	32 Å²	32	2%	0.016	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-31.9	170.9	-84.6	11.6	0	0	0	112.2	Q760 T761 Y762 R763 G1014 N1015 E1016 L1019 F1051 R1055	Q760-Y1012 PolarHBondContact O-N 2.97Å; Q760-Y1012 VanDerWaalsContact O-N 3.09Å; T761-Y1012 HydrophobicContact CG2-CD2 3.96Å; T761-Y1012 HydrophobicContact CG2-CE2 3.93Å; Y762-Y1012 CarbonylContact O-C 3.52Å; R763-Y1012 HydrophobicContact CG-CD2 4.28Å; Y1012-G1014 PolarHBondContact O-N 3.11Å; Y1012-N1015 CarbonylContact O-C 3.49Å; Y1012-N1015 PolarHBondContact O-N 3.04Å; Y1012-E1016 PolarHBondContact O-N 2.65Å; Y1012-L1019 HydrophobicContact CD1-CD1 4.14Å; Y1012-L1019 HydrophobicContact CD2-CD1 3.81Å; Y1012-L1019 HydrophobicContact CE1-CD2 4.4Å; Y1012-L1019 HydrophobicContact CE2-CD1 4.41Å; Y1012-L1019 HydrophobicContact CE2-CD2 4.32Å; Y1012-L1019 HydrophobicContact CG-CD1 3.64Å; Y1012-F1051 PolarHBondContact OH-O 2.91Å; Y1012-R1055 HydrophobicContact CD1-CG 4.17Å; Y1012-R1055 HydrophobicContact CE1-CB 4.11Å; Y1012-R1055 HydrophobicContact CE1-CG 3.52Å; Y1012-R1055 HydrophobicContact CE2-CB 4.33Å; Y1012-R1055 HydrophobicContact CE2-CG 4.24Å; Y1012-R1055 VanDerWaalsContact OH-CB 3.29Å; Y1012-R1055 WeakPolarHBondContact OH-CB 3.32Å
1013	Y	91.8	Very high	91.7	Very high	20 Å²	20	31.2 Å²	31.2	8%	0.078	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-51	-46	179.1	-176	-97.3	0	0	0	114.4	Y762 K764 E835 L842 L1011 N1015	Y762-Y1013 AromaticContact CD1-CD2 3.74Å; Y762-Y1013 HydrophobicContact CD1-CD2 3.74Å; Y762-Y1013 HydrophobicContact CD1-CE2 4.35Å; Y762-Y1013 AromaticContact CE1-CD2 3.81Å; Y762-Y1013 HydrophobicContact CE1-CD2 3.81Å; Y762-Y1013 AromaticContact CE1-CE2 3.97Å; Y762-Y1013 HydrophobicContact CE1-CE2 3.97Å; Y762-Y1013 WeakPolarHBondContact O-CA 3.41Å; Y762-Y1013 PolarHBondContact O-N 3.4Å; K764-Y1013 HydrophobicContact CD-CD2 4.47Å; K764-Y1013 HydrophobicContact CD-CE2 4.11Å; K764-Y1013 WeakPolarHBondContact CE-OH 3.21Å; K764-Y1013 HydrophobicContact CG-CD2 3.67Å; K764-Y1013 HydrophobicContact CG-CE2 3.47Å; K764-Y1013 VanDerWaalsContact CG-CE2 3.47Å; K764-Y1013 HydrophobicContact CG-CG 4.43Å; E835-Y1013 VanDerWaalsContact CD-OH 3.25Å; E835-Y1013 PolarHBondContact OE1-OH 3.45Å; E835-Y1013 PolarHBondContact OE2-OH 3.28Å; L842-Y1013 HydrophobicContact CD1-CD1 3.95Å; L842-Y1013 HydrophobicContact CD1-CD2 3.89Å; L842-Y1013 HydrophobicContact CD1-CE1 4.03Å; L842-Y1013 HydrophobicContact CD1-CE2 3.99Å; L842-Y1013 HydrophobicContact CD1-CG 3.85Å; L842-Y1013 HydrophobicContact CD2-CD1 3.48Å; L842-Y1013 VanDerWaalsContact CD2-CD1 3.48Å; L842-Y1013 HydrophobicContact CD2-CE1 3.57Å; L842-Y1013 HydrophobicContact CD2-CG 4.17Å; L842-Y1013 HydrophobicContact CG-CD1 4.39Å; L842-Y1013 HydrophobicContact CG-CE1 4.44Å; L1011-Y1013 PolarHBondContact O-N 3.35Å; Y1013-N1015 VanDerWaalsContact C-N 3.34Å
1014	G	91.2	Very high	92.6	Very high	32 Å²	32	24.6 Å²	24.6	33%	0.33	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-79.8	-13.3	179.1	0	0	0	0	0	114.3	G1008 Y1012	G1008-G1014 WeakPolarHBondContact O-CA 3.22Å; G1008-G1014 PolarHBondContact O-N 3.3Å; Y1012-G1014 PolarHBondContact O-N 3.11Å
1015	N	94.4	Very high	93.7	Very high	38 Å²	38	21.9 Å²	21.9	20%	0.203	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-109.4	24.8	-175.6	-65.7	-86.3	0	0	0	112.7	L661 Q665 D1009 L1011 Y1012 Y1013 W1017 L1018 L1019	L661-N1015 HydrophobicContact CD1-CB 4.2Å; L661-N1015 WeakPolarHBondContact CD1-OD1 3.26Å; L661-N1015 HydrophobicContact CD2-CB 3.65Å; Q665-N1015 PolarHBondContact NE2-ND2 2.78Å; Q665-N1015 VanDerWaalsContact NE2-ND2 3.12Å; D1009-N1015 PolarHBondContact O-ND2 2.85Å; L1011-N1015 PolarHBondContact O-ND2 3.42Å; Y1012-N1015 CarbonylContact O-C 3.49Å; Y1012-N1015 PolarHBondContact O-N 3.04Å; Y1013-N1015 VanDerWaalsContact C-N 3.34Å; N1015-W1017 VanDerWaalsContact C-N 3.29Å; N1015-W1017 PolarHBondContact O-N 2.97Å; N1015-L1018 WeakPolarHBondContact O-CB 3.26Å; N1015-L1018 PolarHBondContact O-N 3.32Å; N1015-L1019 PolarHBondContact O-N 2.92Å
1016	E	93.8	Very high	94.3	Very high	14 Å²	14	21.2 Å²	21.2	7%	0.065	11%	0.109	C	C	.	.	H	α-helix	trans	-54.9	-41.8	-175.5	-174.1	61.1	-128.4	0	0	112.8	R763 K764 T765 Y1012 L1018 L1019 F1020	R763-E1016 WeakPolarHBondContact CB-OE2 3.17Å; R763-E1016 IonicContact CZ-OE1 2.69Å; R763-E1016 IonicContact NE-OE1 3.07Å; R763-E1016 PolarHBondContact NE-OE1 2.8Å; R763-E1016 IonicContact NE-OE2 3.42Å; R763-E1016 IonicContact NH2-OE1 3.52Å; R763-E1016 PolarHBondContact NH2-OE1 3.3Å; K764-E1016 HydrophobicContact CB-CG 4.12Å; K764-E1016 PolarHBondContact N-OE2 2.86Å; T765-E1016 WeakPolarHBondContact CB-OE1 3.46Å; T765-E1016 HydrophobicContact CG2-CG 3.95Å; T765-E1016 PolarHBondContact N-OE2 3.15Å; T765-E1016 PolarHBondContact OG1-OE1 2.94Å; Y1012-E1016 PolarHBondContact O-N 2.65Å; E1016-L1018 VanDerWaalsContact C-N 3.29Å; E1016-L1018 PolarHBondContact O-N 3.18Å; E1016-L1019 PolarHBondContact O-N 3.35Å; E1016-F1020 WeakPolarHBondContact O-CB 3.23Å; E1016-F1020 PolarHBondContact O-N 3.23Å
1017	W	93.7	Very high	94.8	Very high	162 Å²	162	20 Å²	20	61%	0.614	10%	0.101	S	C	*	.	H	α-helix	trans	-59.7	-39.7	179	178.4	-104	0	0	0	112.7	N1015 T1021	N1015-W1017 VanDerWaalsContact C-N 3.29Å; N1015-W1017 PolarHBondContact O-N 2.97Å; W1017-T1021 HydrophobicContact CD2-CG2 4.02Å; W1017-T1021 HydrophobicContact CE3-CG2 4.44Å; W1017-T1021 HydrophobicContact CH2-CG2 4.19Å; W1017-T1021 HydrophobicContact CZ2-CG2 3.72Å; W1017-T1021 WeakPolarHBondContact O-CB 3.2Å; W1017-T1021 VanDerWaalsContact O-CG2 3.3Å; W1017-T1021 WeakPolarHBondContact O-CG2 3.35Å; W1017-T1021 PolarHBondContact O-N 3.34Å; W1017-T1021 PolarHBondContact O-OG1 2.85Å
1018	L	95.5	Very high	95.1	Very high	18 Å²	18	19.9 Å²	19.9	9%	0.094	10%	0.1	C	C	.	.	H	α-helix	trans	-66.5	-48.4	178.1	-178.5	158.5	0	0	0	110.3	K654 D657 L658 L661 N1015 E1016 T1021 F1022	K654-L1018 HydrophobicContact CD-CG 4.46Å; D657-L1018 HydrophobicContact CB-CD1 4.46Å; D657-L1018 WeakPolarHBondContact OD2-CD1 3.45Å; L658-L1018 HydrophobicContact CB-CD2 4.06Å; L658-L1018 HydrophobicContact CD1-CD2 3.68Å; L658-L1018 HydrophobicContact CG-CD2 4.45Å; L661-L1018 HydrophobicContact CB-CD1 4.24Å; L661-L1018 HydrophobicContact CD2-CD1 4.13Å; L661-L1018 HydrophobicContact CD2-CD2 3.98Å; N1015-L1018 WeakPolarHBondContact O-CB 3.26Å; N1015-L1018 PolarHBondContact O-N 3.32Å; E1016-L1018 VanDerWaalsContact C-N 3.29Å; E1016-L1018 PolarHBondContact O-N 3.18Å; L1018-T1021 PolarHBondContact O-N 3.17Å; L1018-T1021 PolarHBondContact O-OG1 2.87Å; L1018-T1021 VanDerWaalsContact O-OG1 3.07Å; L1018-F1022 WeakPolarHBondContact O-CB 3.42Å; L1018-F1022 PolarHBondContact O-N 2.76Å
1019	L	96.1	Very high	95.3	Very high	8 Å²	8	20.9 Å²	20.9	4%	0.042	11%	0.105	C	C	.	.	H	α-helix	trans	-64.2	-43.1	-179.3	-61.7	169.7	0	0	0	111.2	L658 R763 Y1012 N1015 E1016 F1022 D1023	L658-L1019 HydrophobicContact CD1-CD2 3.67Å; R763-L1019 HydrophobicContact CG-CD1 4.01Å; Y1012-L1019 HydrophobicContact CD1-CD1 4.14Å; Y1012-L1019 HydrophobicContact CD2-CD1 3.81Å; Y1012-L1019 HydrophobicContact CE1-CD2 4.4Å; Y1012-L1019 HydrophobicContact CE2-CD1 4.41Å; Y1012-L1019 HydrophobicContact CE2-CD2 4.32Å; Y1012-L1019 HydrophobicContact CG-CD1 3.64Å; N1015-L1019 PolarHBondContact O-N 2.92Å; E1016-L1019 PolarHBondContact O-N 3.35Å; L1019-F1022 WeakPolarHBondContact O-CB 3.13Å; L1019-F1022 PolarHBondContact O-N 3.07Å; L1019-D1023 VanDerWaalsContact O-CG 3.24Å; L1019-D1023 PolarHBondContact O-N 2.65Å
1020	F	96.3	Very high	95.6	Very high	21 Å²	21	18.5 Å²	18.5	9%	0.092	9%	0.092	C	C	.	.	H	α-helix	trans	-64.1	-45	178	-173.3	-91.6	0	0	0	112.5	T770 F819 E1016 F1022 D1023 A1024	T770-F1020 HydrophobicContact CG2-CE2 4.14Å; F819-F1020 HydrophobicContact CB-CE1 4.41Å; F819-F1020 HydrophobicContact CB-CZ 4.01Å; F819-F1020 HydrophobicContact CD1-CE1 4.43Å; F819-F1020 HydrophobicContact CD1-CE2 4.27Å; F819-F1020 AromaticContact CD1-CZ 3.82Å; F819-F1020 HydrophobicContact CD1-CZ 3.82Å; F819-F1020 HydrophobicContact CG-CZ 4.41Å; F819-F1020 WeakPolarHBondContact O-CZ 3.48Å; E1016-F1020 WeakPolarHBondContact O-CB 3.23Å; E1016-F1020 PolarHBondContact O-N 3.23Å; F1020-F1022 VanDerWaalsContact C-N 3.32Å; F1020-F1022 PolarHBondContact O-N 3.43Å; F1020-D1023 PolarHBondContact O-N 3.47Å; F1020-A1024 WeakPolarHBondContact O-CB 3.2Å; F1020-A1024 PolarHBondContact O-N 3.22Å
1021	T	96.1	Very high	95.8	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.018	9%	0.09	C	C	.	.	H	α-helix	trans	-68.5	-31.9	177.1	51.5	0	0	0	0	112.5	L612 W1017 L1018 L1025	L612-T1021 HydrophobicContact CD2-CG2 4.05Å; W1017-T1021 HydrophobicContact CD2-CG2 4.02Å; W1017-T1021 HydrophobicContact CE3-CG2 4.44Å; W1017-T1021 HydrophobicContact CH2-CG2 4.19Å; W1017-T1021 HydrophobicContact CZ2-CG2 3.72Å; W1017-T1021 WeakPolarHBondContact O-CB 3.2Å; W1017-T1021 VanDerWaalsContact O-CG2 3.3Å; W1017-T1021 WeakPolarHBondContact O-CG2 3.35Å; W1017-T1021 PolarHBondContact O-N 3.34Å; W1017-T1021 PolarHBondContact O-OG1 2.85Å; L1018-T1021 PolarHBondContact O-N 3.17Å; L1018-T1021 PolarHBondContact O-OG1 2.87Å; L1018-T1021 VanDerWaalsContact O-OG1 3.07Å; T1021-L1025 VanDerWaalsContact O-CB 3.32Å; T1021-L1025 WeakPolarHBondContact O-CB 3.42Å; T1021-L1025 WeakPolarHBondContact O-CG 3.32Å; T1021-L1025 PolarHBondContact O-N 3.27Å
1022	F	97.8	Very high	95.8	Very high	3 Å²	3	18.4 Å²	18.4	1%	0.013	9%	0.092	C	C	.	.	H	α-helix	trans	-62.3	-50.7	170.3	174.4	-92.2	0	0	0	111.6	F651 K654 L658 L1018 L1019 F1020 A1024 L1025 L1026 I1047 F1051	F651-F1022 HydrophobicContact CE2-CD2 4.35Å; F651-F1022 AromaticContact CE2-CE2 3.74Å; F651-F1022 HydrophobicContact CE2-CE2 3.74Å; F651-F1022 HydrophobicContact CE2-CZ 4.14Å; F651-F1022 HydrophobicContact CZ-CE2 4.38Å; K654-F1022 HydrophobicContact CD-CB 4.44Å; K654-F1022 HydrophobicContact CG-CB 3.82Å; K654-F1022 HydrophobicContact CG-CD2 3.99Å; K654-F1022 HydrophobicContact CG-CG 4.42Å; L658-F1022 HydrophobicContact CB-CD2 4.47Å; L658-F1022 HydrophobicContact CD2-CD1 3.94Å; L658-F1022 HydrophobicContact CD2-CD2 3.77Å; L658-F1022 HydrophobicContact CD2-CE1 3.98Å; L658-F1022 HydrophobicContact CD2-CE2 3.79Å; L658-F1022 HydrophobicContact CD2-CG 3.85Å; L658-F1022 HydrophobicContact CD2-CZ 3.91Å; L1018-F1022 WeakPolarHBondContact O-CB 3.42Å; L1018-F1022 PolarHBondContact O-N 2.76Å; L1019-F1022 WeakPolarHBondContact O-CB 3.13Å; L1019-F1022 PolarHBondContact O-N 3.07Å; F1020-F1022 VanDerWaalsContact C-N 3.32Å; F1020-F1022 PolarHBondContact O-N 3.43Å; F1022-A1024 VanDerWaalsContact C-N 3.32Å; F1022-A1024 PolarHBondContact O-N 3.17Å; F1022-L1025 PolarHBondContact O-N 3.38Å; F1022-L1026 HydrophobicContact CE1-CD2 4.16Å; F1022-L1026 HydrophobicContact CZ-CD2 4.34Å; F1022-L1026 WeakPolarHBondContact O-CB 3.18Å; F1022-L1026 PolarHBondContact O-N 3.45Å; F1022-I1047 HydrophobicContact CE1-CG2 4.17Å; F1022-I1047 HydrophobicContact CZ-CG2 3.91Å; F1022-F1051 HydrophobicContact CE1-CD2 4.15Å; F1022-F1051 HydrophobicContact CE1-CE2 4.18Å; F1022-F1051 HydrophobicContact CE2-CE2 4.25Å; F1022-F1051 HydrophobicContact CZ-CD2 4.01Å; F1022-F1051 AromaticContact CZ-CE2 3.57Å; F1022-F1051 HydrophobicContact CZ-CE2 3.57Å; F1022-F1051 HydrophobicContact CZ-CZ 4.48Å
1023	D	96.9	Very high	95.9	Very high	7 Å²	7	23.9 Å²	23.9	4%	0.037	12%	0.121	C	C	.	.	H	α-helix	trans	-58.7	-44.2	178.9	-67.2	-27.9	0	0	0	110.9	R763 L1019 F1020 F1027 V1044	R763-D1023 IonicContact CZ-OD2 2.98Å; R763-D1023 IonicContact NH1-OD2 3.13Å; R763-D1023 PolarHBondContact NH1-OD2 3.31Å; R763-D1023 IonicContact NH2-OD2 3.12Å; R763-D1023 PolarHBondContact NH2-OD2 3.33Å; L1019-D1023 VanDerWaalsContact O-CG 3.24Å; L1019-D1023 PolarHBondContact O-N 2.65Å; F1020-D1023 PolarHBondContact O-N 3.47Å; D1023-F1027 WeakPolarHBondContact O-CB 3.46Å; D1023-F1027 PolarHBondContact O-N 3.09Å; D1023-V1044 HydrophobicContact CB-CG1 4.08Å
1024	A	97.2	Very high	96	Very high	4 Å²	4	25 Å²	25	3%	0.033	13%	0.131	C	C	.	.	H	α-helix	trans	-64.5	-44.1	177.7	0	0	0	0	0	113	L816 F819 F1020 F1022 F1027 C1028	L816-A1024 HydrophobicContact CD2-CB 4.29Å; F819-A1024 HydrophobicContact CD1-CB 3.77Å; F819-A1024 HydrophobicContact CE1-CB 4.12Å; F819-A1024 HydrophobicContact CG-CB 4.21Å; F1020-A1024 WeakPolarHBondContact O-CB 3.2Å; F1020-A1024 PolarHBondContact O-N 3.22Å; F1022-A1024 VanDerWaalsContact C-N 3.32Å; F1022-A1024 PolarHBondContact O-N 3.17Å; A1024-F1027 PolarHBondContact O-N 2.94Å; A1024-C1028 WeakPolarHBondContact O-CB 2.71Å; A1024-C1028 PolarHBondContact O-N 3.46Å; A1024-C1028 PolarHBondContact O-SG 3.49Å
1025	L	98.1	Very high	95.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.2	-42.6	177.9	-82.6	167.6	0	0	0	111.8	L612 I647 A650 F651 K654 T1021 F1022 C1028 L1029	L612-L1025 HydrophobicContact CB-CD2 4.39Å; L612-L1025 HydrophobicContact CD1-CD2 3.89Å; L612-L1025 HydrophobicContact CD1-CG 4.34Å; L612-L1025 HydrophobicContact CD2-CG 4.26Å; I647-L1025 HydrophobicContact CG2-CD2 4.29Å; A650-L1025 HydrophobicContact CB-CD1 4.33Å; A650-L1025 HydrophobicContact CB-CD2 3.82Å; F651-L1025 HydrophobicContact CB-CB 4.41Å; F651-L1025 HydrophobicContact CD2-CB 4.25Å; K654-L1025 HydrophobicContact CB-CD1 3.81Å; K654-L1025 HydrophobicContact CG-CD1 3.99Å; T1021-L1025 VanDerWaalsContact O-CB 3.32Å; T1021-L1025 WeakPolarHBondContact O-CB 3.42Å; T1021-L1025 WeakPolarHBondContact O-CG 3.32Å; T1021-L1025 PolarHBondContact O-N 3.27Å; F1022-L1025 PolarHBondContact O-N 3.38Å; L1025-C1028 PolarHBondContact O-N 3.3Å; L1025-L1029 WeakPolarHBondContact O-CB 3.39Å; L1025-L1029 PolarHBondContact O-N 2.91Å
1026	L	97.7	Very high	95.9	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.026	15%	0.149	C	C	.	.	H	α-helix	trans	-62.7	-45.5	176.9	178.2	57.6	0	0	0	111.1	F651 F1022 C1028 L1029 V1030 V1044 I1047	F651-L1026 HydrophobicContact CD2-CB 4.25Å; F651-L1026 HydrophobicContact CE2-CB 3.77Å; F651-L1026 HydrophobicContact CE2-CD1 3.75Å; F651-L1026 HydrophobicContact CE2-CG 4.26Å; F651-L1026 HydrophobicContact CZ-CD1 3.75Å; F1022-L1026 HydrophobicContact CE1-CD2 4.16Å; F1022-L1026 HydrophobicContact CZ-CD2 4.34Å; F1022-L1026 WeakPolarHBondContact O-CB 3.18Å; F1022-L1026 PolarHBondContact O-N 3.45Å; L1026-C1028 VanDerWaalsContact C-N 3.34Å; L1026-C1028 PolarHBondContact O-N 3.07Å; L1026-L1029 PolarHBondContact O-N 3.5Å; L1026-V1030 HydrophobicContact CD1-CG2 4.1Å; L1026-V1030 WeakPolarHBondContact O-CG2 3.38Å; L1026-V1030 PolarHBondContact O-N 3.12Å; L1026-V1030 VanDerWaalsContact O-N 3.09Å; L1026-V1044 HydrophobicContact CB-CG2 4.07Å; L1026-V1044 HydrophobicContact CD2-CB 4.31Å; L1026-V1044 HydrophobicContact CD2-CG2 3.96Å; L1026-V1044 HydrophobicContact CG-CG2 3.74Å; L1026-I1047 HydrophobicContact CD1-CD1 3.87Å; L1026-I1047 HydrophobicContact CD2-CB 3.78Å; L1026-I1047 HydrophobicContact CD2-CD1 3.78Å; L1026-I1047 HydrophobicContact CD2-CG1 4.34Å; L1026-I1047 HydrophobicContact CD2-CG2 3.92Å; L1026-I1047 HydrophobicContact CG-CD1 4.45Å
1027	F	98	Very high	95.9	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-57.4	-49.2	176.2	-165.4	-80.5	0	0	0	110.9	V774 I815 F819 D1023 A1024 L1029 D1031 L1037 S1040 A1041 V1044	V774-F1027 HydrophobicContact CG1-CE1 4.03Å; V774-F1027 HydrophobicContact CG1-CE2 4.33Å; V774-F1027 HydrophobicContact CG1-CZ 3.71Å; I815-F1027 HydrophobicContact CD1-CD1 4.37Å; I815-F1027 HydrophobicContact CD1-CE1 4Å; I815-F1027 HydrophobicContact CG1-CE1 4.27Å; I815-F1027 HydrophobicContact CG2-CD1 3.64Å; I815-F1027 HydrophobicContact CG2-CE1 3.94Å; F819-F1027 HydrophobicContact CE2-CB 3.99Å; F819-F1027 AromaticContact CE2-CD1 3.91Å; F819-F1027 HydrophobicContact CE2-CD1 3.91Å; F819-F1027 HydrophobicContact CE2-CD2 4.09Å; F819-F1027 HydrophobicContact CE2-CE1 4.43Å; F819-F1027 AromaticContact CE2-CG 3.71Å; F819-F1027 HydrophobicContact CE2-CG 3.71Å; F819-F1027 HydrophobicContact CZ-CB 3.72Å; F819-F1027 HydrophobicContact CZ-CD1 4.41Å; F819-F1027 AromaticContact CZ-CD2 3.91Å; F819-F1027 HydrophobicContact CZ-CD2 3.91Å; F819-F1027 AromaticContact CZ-CG 3.75Å; F819-F1027 HydrophobicContact CZ-CG 3.75Å; D1023-F1027 WeakPolarHBondContact O-CB 3.46Å; D1023-F1027 PolarHBondContact O-N 3.09Å; A1024-F1027 PolarHBondContact O-N 2.94Å; F1027-L1029 PolarHBondContact O-N 2.9Å; F1027-D1031 VanDerWaalsContact O-CB 3.24Å; F1027-D1031 WeakPolarHBondContact O-CB 3.3Å; F1027-D1031 PolarHBondContact O-N 3.41Å; F1027-L1037 HydrophobicContact CE1-CD2 3.94Å; F1027-L1037 HydrophobicContact CZ-CD2 4.07Å; F1027-S1040 PolarHBondContact O-OG 3.49Å; F1027-A1041 HydrophobicContact CE2-CB 4.27Å; F1027-V1044 HydrophobicContact CB-CG2 3.79Å; F1027-V1044 HydrophobicContact CD2-CG2 4.03Å; F1027-V1044 HydrophobicContact CG-CG2 4.38Å
1028	C	97.3	Very high	96	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.7	-41.4	179.8	-71.1	0	0	0	0	112.7	I647 I812 L816 A1024 L1025 L1026 D1031 L1032	I647-C1028 HydrophobicContact CD1-CB 3.9Å; I647-C1028 HydrophobicContact CG2-CB 4.24Å; I812-C1028 HydrophobicContact CD1-CB 3.6Å; L816-C1028 VanDerWaalsContact CD2-SG 3.52Å; A1024-C1028 WeakPolarHBondContact O-CB 2.71Å; A1024-C1028 PolarHBondContact O-N 3.46Å; A1024-C1028 PolarHBondContact O-SG 3.49Å; L1025-C1028 PolarHBondContact O-N 3.3Å; L1026-C1028 VanDerWaalsContact C-N 3.34Å; L1026-C1028 PolarHBondContact O-N 3.07Å; C1028-D1031 PolarHBondContact O-N 2.63Å; C1028-L1032 WeakPolarHBondContact O-CB 3.39Å; C1028-L1032 VanDerWaalsContact O-CG 3.26Å; C1028-L1032 WeakPolarHBondContact O-CG 3.48Å; C1028-L1032 PolarHBondContact O-N 3.03Å
1029	L	97.7	Very high	96	Very high	22 Å²	22	29.2 Å²	29.2	12%	0.115	15%	0.154	C	C	.	.	H	α-helix	trans	-64.9	-47.7	-179.5	179.4	61.4	0	0	0	111.6	L644 I647 A648 F651 L1025 L1026 F1027 D1031 L1032 L1033	L644-L1029 HydrophobicContact CD1-CD1 4.09Å; I647-L1029 HydrophobicContact CG2-CB 4.14Å; A648-L1029 HydrophobicContact CB-CD1 4.02Å; F651-L1029 HydrophobicContact CB-CD2 4.04Å; F651-L1029 HydrophobicContact CD1-CD2 3.32Å; F651-L1029 HydrophobicContact CE1-CD2 3.87Å; F651-L1029 HydrophobicContact CG-CD2 3.72Å; L1025-L1029 WeakPolarHBondContact O-CB 3.39Å; L1025-L1029 PolarHBondContact O-N 2.91Å; L1026-L1029 PolarHBondContact O-N 3.5Å; F1027-L1029 PolarHBondContact O-N 2.9Å; L1029-D1031 VanDerWaalsContact C-N 3.27Å; L1029-D1031 PolarHBondContact O-N 3.2Å; L1029-L1032 PolarHBondContact O-N 3.17Å; L1029-L1033 HydrophobicContact CD1-CD1 4.14Å; L1029-L1033 HydrophobicContact CD1-CG 4.43Å; L1029-L1033 HydrophobicContact CG-CD1 4.19Å; L1029-L1033 WeakPolarHBondContact O-CG 3.3Å; L1029-L1033 PolarHBondContact O-N 3.38Å; L1029-L1033 VanDerWaalsContact O-N 3.15Å
1030	V	97.4	Very high	96	Very high	18 Å²	18	28.9 Å²	28.9	11%	0.109	15%	0.152	C	C	.	.	H	α-helix	trans	-63.9	-38.2	177.8	178.4	0	0	0	0	110.5	L1026 L1033 S1034 L1039 F1043	L1026-V1030 HydrophobicContact CD1-CG2 4.1Å; L1026-V1030 WeakPolarHBondContact O-CG2 3.38Å; L1026-V1030 PolarHBondContact O-N 3.12Å; L1026-V1030 VanDerWaalsContact O-N 3.09Å; V1030-L1033 PolarHBondContact O-N 2.89Å; V1030-S1034 WeakPolarHBondContact O-CB 3.23Å; V1030-S1034 PolarHBondContact O-N 2.91Å; V1030-S1034 PolarHBondContact O-OG 3.21Å; V1030-L1039 HydrophobicContact CG1-CD2 4.5Å; V1030-L1039 HydrophobicContact CG1-CG 4.25Å; V1030-F1043 HydrophobicContact CG1-CD2 3.92Å; V1030-F1043 HydrophobicContact CG2-CB 4.02Å; V1030-F1043 HydrophobicContact CG2-CD2 4.39Å; V1030-F1043 HydrophobicContact CG2-CG 4.39Å
1031	D	95.7	Very high	96	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.011	15%	0.15	C	C	.	.	H	α-helix	trans	-64.3	-42.1	177.3	-169	70.3	0	0	0	112.1	R811 I815 F1027 C1028 L1029 L1033 Q1035 L1037 S1040	R811-D1031 VanDerWaalsContact CD-OD2 3.3Å; R811-D1031 WeakPolarHBondContact CD-OD2 3.42Å; R811-D1031 WeakPolarHBondContact CG-OD2 3.49Å; R811-D1031 IonicContact CZ-OD1 2.75Å; R811-D1031 VanDerWaalsContact CZ-OD1 3.24Å; R811-D1031 IonicContact CZ-OD2 2.7Å; R811-D1031 VanDerWaalsContact NE-CG 3.29Å; R811-D1031 IonicContact NE-OD1 3.15Å; R811-D1031 PolarHBondContact NE-OD1 2.96Å; R811-D1031 IonicContact NE-OD2 2.78Å; R811-D1031 PolarHBondContact NE-OD2 2.87Å; R811-D1031 IonicContact NH2-OD1 3.3Å; R811-D1031 PolarHBondContact NH2-OD1 2.98Å; R811-D1031 IonicContact NH2-OD2 3.45Å; I815-D1031 HydrophobicContact CD1-CB 4.26Å; I815-D1031 VanDerWaalsContact CD1-OD2 3.25Å; I815-D1031 WeakPolarHBondContact CD1-OD2 3.43Å; F1027-D1031 VanDerWaalsContact O-CB 3.24Å; F1027-D1031 WeakPolarHBondContact O-CB 3.3Å; F1027-D1031 PolarHBondContact O-N 3.41Å; C1028-D1031 PolarHBondContact O-N 2.63Å; L1029-D1031 VanDerWaalsContact C-N 3.27Å; L1029-D1031 PolarHBondContact O-N 3.2Å; D1031-L1033 VanDerWaalsContact C-N 3.31Å; D1031-L1033 PolarHBondContact O-N 3.43Å; D1031-Q1035 WeakPolarHBondContact O-CA 3.4Å; D1031-Q1035 PolarHBondContact O-N 2.94Å; D1031-L1037 WeakPolarHBondContact OD1-CD2 3.4Å; D1031-S1040 VanDerWaalsContact CA-OG 3.29Å; D1031-S1040 WeakPolarHBondContact CA-OG 3.23Å; D1031-S1040 WeakPolarHBondContact CB-OG 3.1Å; D1031-S1040 PolarHBondContact N-OG 3.39Å
1032	L	95.3	Very high	96.1	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-66.5	-31.9	177.5	-74.7	167.4	0	0	0	113.7	I643 L644 I647 R808 I812 C1028 L1029	I643-L1032 HydrophobicContact CG2-CD1 3.83Å; I643-L1032 HydrophobicContact CG2-CD2 4.14Å; L644-L1032 HydrophobicContact CD1-CB 3.97Å; I647-L1032 HydrophobicContact CB-CD1 4.1Å; I647-L1032 HydrophobicContact CD1-CD1 3.97Å; I647-L1032 HydrophobicContact CG1-CD1 4.36Å; I647-L1032 HydrophobicContact CG2-CD1 4.17Å; R808-L1032 HydrophobicContact CB-CD2 3.86Å; R808-L1032 HydrophobicContact CG-CD2 4.28Å; I812-L1032 HydrophobicContact CD1-CD1 4.03Å; I812-L1032 HydrophobicContact CD1-CD2 4.15Å; I812-L1032 HydrophobicContact CD1-CG 3.88Å; I812-L1032 HydrophobicContact CG1-CD1 4.29Å; I812-L1032 HydrophobicContact CG1-CD2 3.81Å; I812-L1032 HydrophobicContact CG1-CG 4.12Å; C1028-L1032 WeakPolarHBondContact O-CB 3.39Å; C1028-L1032 VanDerWaalsContact O-CG 3.26Å; C1028-L1032 WeakPolarHBondContact O-CG 3.48Å; C1028-L1032 PolarHBondContact O-N 3.03Å; L1029-L1032 PolarHBondContact O-N 3.17Å
1033	L	95.4	Very high	96	Very high	119 Å²	119	36.9 Å²	36.9	62%	0.623	19%	0.188	S	C	*	.	H	α-helix	trans	-82.7	-38.4	-179.6	-69.1	173.6	0	0	0	112.5	L644 L1029 V1030 D1031	L644-L1033 HydrophobicContact CD1-CD2 3.8Å; L644-L1033 HydrophobicContact CD1-CG 4.19Å; L644-L1033 HydrophobicContact CD2-CD2 4.25Å; L1029-L1033 HydrophobicContact CD1-CD1 4.14Å; L1029-L1033 HydrophobicContact CD1-CG 4.43Å; L1029-L1033 HydrophobicContact CG-CD1 4.19Å; L1029-L1033 WeakPolarHBondContact O-CG 3.3Å; L1029-L1033 PolarHBondContact O-N 3.38Å; L1029-L1033 VanDerWaalsContact O-N 3.15Å; V1030-L1033 PolarHBondContact O-N 2.89Å; D1031-L1033 VanDerWaalsContact C-N 3.31Å; D1031-L1033 PolarHBondContact O-N 3.43Å
1034	S	93.8	Very high	96	Very high	43 Å²	43	36.6 Å²	36.6	30%	0.301	19%	0.186	S	C	.	.	H	α-helix	trans	-107	-19	-171.9	69	0	0	0	0	114.8	V1030 N1036	V1030-S1034 WeakPolarHBondContact O-CB 3.23Å; V1030-S1034 PolarHBondContact O-N 2.91Å; V1030-S1034 PolarHBondContact O-OG 3.21Å; S1034-N1036 PolarHBondContact O-N 3.04Å; S1034-N1036 PolarHBondContact OG-N 3.27Å
1035	Q	90.4	Very high	96	Very high	112 Å²	112	39.3 Å²	39.3	52%	0.523	20%	0.2	S	C	.	.			trans	51.5	29.8	-168.5	-57.8	-176.8	16.6	0	0	113.2	R811 D1031	R811-Q1035 PolarHBondContact NH1-O 3.12Å; R811-Q1035 VanDerWaalsContact NH1-O 3.11Å; R811-Q1035 PolarHBondContact NH2-O 2.98Å; D1031-Q1035 WeakPolarHBondContact O-CA 3.4Å; D1031-Q1035 PolarHBondContact O-N 2.94Å
1036	N	94.3	Very high	95.9	Very high	73 Å²	73	42.8 Å²	42.8	39%	0.39	22%	0.218	S	C	.	.			trans	-128.3	111.9	-177.1	-171.5	-36.4	0	0	0	112.2	S1034 I1038 L1039 S1040	S1034-N1036 PolarHBondContact O-N 3.04Å; S1034-N1036 PolarHBondContact OG-N 3.27Å; N1036-I1038 VanDerWaalsContact C-N 3.34Å; N1036-I1038 PolarHBondContact O-N 3.15Å; N1036-I1038 WeakPolarHBondContact OD1-CB 3.32Å; N1036-I1038 PolarHBondContact OD1-N 2.95Å; N1036-L1039 HydrophobicContact CB-CB 3.96Å; N1036-L1039 PolarHBondContact O-N 2.83Å; N1036-L1039 PolarHBondContact OD1-N 3.34Å; N1036-L1039 VanDerWaalsContact OD1-N 3.15Å; N1036-S1040 PolarHBondContact O-N 3.17Å; N1036-S1040 VanDerWaalsContact O-N 3.08Å; N1036-S1040 PolarHBondContact O-OG 3.34Å; N1036-S1040 VanDerWaalsContact O-OG 3.08Å
1037	L	93.6	Very high	95.8	Very high	6 Å²	6	44.6 Å²	44.6	3%	0.031	23%	0.227	C	C	.	.	H	α-helix	trans	-63.9	-35.6	-178.3	-63.8	170.4	0	0	0	113.2	L775 M778 Q779 I815 F1027 D1031 S1040 A1041	L775-L1037 HydrophobicContact CD2-CB 3.83Å; M778-L1037 HydrophobicContact CB-CD1 3.57Å; M778-L1037 HydrophobicContact CG-CD1 4.46Å; Q779-L1037 HydrophobicContact CB-CD1 4.39Å; I815-L1037 HydrophobicContact CD1-CD2 4.08Å; F1027-L1037 HydrophobicContact CE1-CD2 3.94Å; F1027-L1037 HydrophobicContact CZ-CD2 4.07Å; D1031-L1037 WeakPolarHBondContact OD1-CD2 3.4Å; L1037-S1040 PolarHBondContact O-N 3Å; L1037-A1041 WeakPolarHBondContact O-CB 3.49Å; L1037-A1041 PolarHBondContact O-N 2.96Å
1038	I	95.1	Very high	95.6	Very high	96 Å²	96	45.3 Å²	45.3	49%	0.492	24%	0.235	S	C	.	.	H	α-helix	trans	-69	-41.1	179.9	-60.1	172.5	0	0	0	109.7	N1036 S1040 A1041 F1042	N1036-I1038 VanDerWaalsContact C-N 3.34Å; N1036-I1038 PolarHBondContact O-N 3.15Å; N1036-I1038 WeakPolarHBondContact OD1-CB 3.32Å; N1036-I1038 PolarHBondContact OD1-N 2.95Å; I1038-S1040 VanDerWaalsContact C-N 3.35Å; I1038-A1041 PolarHBondContact O-N 3.36Å; I1038-F1042 WeakPolarHBondContact O-CB 3.4Å; I1038-F1042 PolarHBondContact O-N 3.5Å
1039	L	95.9	Very high	95.5	Very high	67 Å²	67	48 Å²	48	35%	0.351	25%	0.254	S	S	.	.	H	α-helix	trans	-64.8	-42	176.3	-167.2	65.9	0	0	0	111	V1030 N1036 F1042 F1043	V1030-L1039 HydrophobicContact CG1-CD2 4.5Å; V1030-L1039 HydrophobicContact CG1-CG 4.25Å; N1036-L1039 HydrophobicContact CB-CB 3.96Å; N1036-L1039 PolarHBondContact O-N 2.83Å; N1036-L1039 PolarHBondContact OD1-N 3.34Å; N1036-L1039 VanDerWaalsContact OD1-N 3.15Å; L1039-F1042 PolarHBondContact O-N 3.42Å; L1039-F1043 HydrophobicContact CD1-CD2 4.03Å; L1039-F1043 HydrophobicContact CD1-CE2 3.61Å; L1039-F1043 HydrophobicContact CD2-CE2 4.24Å; L1039-F1043 HydrophobicContact CG-CD2 3.86Å; L1039-F1043 HydrophobicContact CG-CE2 3.73Å; L1039-F1043 VanDerWaalsContact O-CD2 3.32Å; L1039-F1043 WeakPolarHBondContact O-CD2 3.42Å; L1039-F1043 PolarHBondContact O-N 3.41Å
1040	S	96.5	Very high	95.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.6	-47.4	173.5	-56.1	0	0	0	0	112.1	F1027 D1031 N1036 L1037 I1038 F1042 F1043 V1044	F1027-S1040 PolarHBondContact O-OG 3.49Å; D1031-S1040 VanDerWaalsContact CA-OG 3.29Å; D1031-S1040 WeakPolarHBondContact CA-OG 3.23Å; D1031-S1040 WeakPolarHBondContact CB-OG 3.1Å; D1031-S1040 PolarHBondContact N-OG 3.39Å; N1036-S1040 PolarHBondContact O-N 3.17Å; N1036-S1040 VanDerWaalsContact O-N 3.08Å; N1036-S1040 PolarHBondContact O-OG 3.34Å; N1036-S1040 VanDerWaalsContact O-OG 3.08Å; L1037-S1040 PolarHBondContact O-N 3Å; I1038-S1040 VanDerWaalsContact C-N 3.35Å; S1040-F1042 PolarHBondContact O-N 3.44Å; S1040-F1043 PolarHBondContact O-N 2.91Å; S1040-V1044 VanDerWaalsContact O-CG2 3.27Å; S1040-V1044 WeakPolarHBondContact O-CG2 3.29Å; S1040-V1044 PolarHBondContact O-N 2.84Å
1041	A	96.5	Very high	95.3	Very high	6 Å²	6	51.8 Å²	51.8	5%	0.05	27%	0.271	C	S	.	.	H	α-helix	trans	-58.1	-46.9	175.7	0	0	0	0	0	112.2	I771 L775 F1027 L1037 I1038 F1043 V1044 I1045	I771-A1041 HydrophobicContact CG2-CB 3.41Å; I771-A1041 VanDerWaalsContact CG2-CB 3.41Å; L775-A1041 HydrophobicContact CD1-CB 3.87Å; L775-A1041 HydrophobicContact CD2-CB 4.26Å; L775-A1041 HydrophobicContact CG-CB 4.34Å; F1027-A1041 HydrophobicContact CE2-CB 4.27Å; L1037-A1041 WeakPolarHBondContact O-CB 3.49Å; L1037-A1041 PolarHBondContact O-N 2.96Å; I1038-A1041 PolarHBondContact O-N 3.36Å; A1041-F1043 PolarHBondContact O-N 3.43Å; A1041-V1044 PolarHBondContact O-N 3.15Å; A1041-I1045 VanDerWaalsContact O-CG1 3.3Å; A1041-I1045 WeakPolarHBondContact O-CG1 3.45Å; A1041-I1045 PolarHBondContact O-N 2.96Å; A1041-I1045 VanDerWaalsContact O-N 3.07Å
1042	F	96.9	Very high	95.2	Very high	115 Å²	115	54 Å²	54	50%	0.504	28%	0.284	S	S	.	.	H	α-helix	trans	-57.8	-49.7	178.3	171.7	-98.9	0	0	0	112.1	I1038 L1039 S1040 I1045 L1046	I1038-F1042 WeakPolarHBondContact O-CB 3.4Å; I1038-F1042 PolarHBondContact O-N 3.5Å; L1039-F1042 PolarHBondContact O-N 3.42Å; S1040-F1042 PolarHBondContact O-N 3.44Å; F1042-I1045 PolarHBondContact O-N 2.94Å; F1042-L1046 HydrophobicContact CE1-CD2 3.93Å; F1042-L1046 HydrophobicContact CZ-CD2 4.02Å; F1042-L1046 VanDerWaalsContact O-CB 3.3Å; F1042-L1046 WeakPolarHBondContact O-CB 3.41Å; F1042-L1046 PolarHBondContact O-N 3.36Å
1043	F	96.9	Very high	95.2	Very high	75 Å²	75	59.4 Å²	59.4	33%	0.329	31%	0.313	S	S	.	.	H	α-helix	trans	-68	-36.6	-177.9	-84.3	-70	0	0	0	113.2	V1030 L1039 S1040 A1041 L1046 I1047	V1030-F1043 HydrophobicContact CG1-CD2 3.92Å; V1030-F1043 HydrophobicContact CG2-CB 4.02Å; V1030-F1043 HydrophobicContact CG2-CD2 4.39Å; V1030-F1043 HydrophobicContact CG2-CG 4.39Å; L1039-F1043 HydrophobicContact CD1-CD2 4.03Å; L1039-F1043 HydrophobicContact CD1-CE2 3.61Å; L1039-F1043 HydrophobicContact CD2-CE2 4.24Å; L1039-F1043 HydrophobicContact CG-CD2 3.86Å; L1039-F1043 HydrophobicContact CG-CE2 3.73Å; L1039-F1043 VanDerWaalsContact O-CD2 3.32Å; L1039-F1043 WeakPolarHBondContact O-CD2 3.42Å; L1039-F1043 PolarHBondContact O-N 3.41Å; S1040-F1043 PolarHBondContact O-N 2.91Å; A1041-F1043 PolarHBondContact O-N 3.43Å; F1043-L1046 PolarHBondContact O-N 3.39Å; F1043-I1047 HydrophobicContact CD1-CD1 4.37Å; F1043-I1047 VanDerWaalsContact O-CB 3.3Å; F1043-I1047 WeakPolarHBondContact O-CB 3.42Å; F1043-I1047 WeakPolarHBondContact O-CG1 3.47Å; F1043-I1047 PolarHBondContact O-N 2.9Å
1044	V	96.7	Very high	95.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-65.2	-44.1	176.1	178.7	0	0	0	0	110.9	I771 D1023 L1026 F1027 S1040 A1041 G1048	I771-V1044 HydrophobicContact CD1-CB 3.86Å; I771-V1044 HydrophobicContact CD1-CG1 3.64Å; D1023-V1044 HydrophobicContact CB-CG1 4.08Å; L1026-V1044 HydrophobicContact CB-CG2 4.07Å; L1026-V1044 HydrophobicContact CD2-CB 4.31Å; L1026-V1044 HydrophobicContact CD2-CG2 3.96Å; L1026-V1044 HydrophobicContact CG-CG2 3.74Å; F1027-V1044 HydrophobicContact CB-CG2 3.79Å; F1027-V1044 HydrophobicContact CD2-CG2 4.03Å; F1027-V1044 HydrophobicContact CG-CG2 4.38Å; S1040-V1044 VanDerWaalsContact O-CG2 3.27Å; S1040-V1044 WeakPolarHBondContact O-CG2 3.29Å; S1040-V1044 PolarHBondContact O-N 2.84Å; A1041-V1044 PolarHBondContact O-N 3.15Å; V1044-G1048 WeakPolarHBondContact O-CA 3.4Å; V1044-G1048 PolarHBondContact O-N 3.41Å
1045	I	96.4	Very high	95.2	Very high	62 Å²	62	55.8 Å²	55.8	32%	0.318	29%	0.29	S	S	.	.	H	α-helix	trans	-63.6	-46.1	176.6	-66.2	169.9	0	0	0	110.6	L768 I771 A1041 F1042 S1049	L768-I1045 HydrophobicContact CD2-CD1 3.76Å; L768-I1045 HydrophobicContact CD2-CG1 3.94Å; L768-I1045 HydrophobicContact CD2-CG2 4.32Å; I771-I1045 HydrophobicContact CD1-CD1 4.25Å; I771-I1045 HydrophobicContact CD1-CG1 3.6Å; I771-I1045 HydrophobicContact CG2-CD1 4.48Å; A1041-I1045 VanDerWaalsContact O-CG1 3.3Å; A1041-I1045 WeakPolarHBondContact O-CG1 3.45Å; A1041-I1045 PolarHBondContact O-N 2.96Å; A1041-I1045 VanDerWaalsContact O-N 3.07Å; F1042-I1045 PolarHBondContact O-N 2.94Å; I1045-S1049 VanDerWaalsContact O-CB 3.24Å; I1045-S1049 WeakPolarHBondContact O-CB 3.49Å; I1045-S1049 PolarHBondContact O-N 2.94Å; I1045-S1049 PolarHBondContact O-OG 3.49Å
1046	L	96.9	Very high	95.3	Very high	73 Å²	73	53 Å²	53	38%	0.382	28%	0.278	S	S	.	.	H	α-helix	trans	-61.7	-53.6	-179.1	178.2	63.9	0	0	0	111.6	F1042 F1043 S1049 I1050	F1042-L1046 HydrophobicContact CE1-CD2 3.93Å; F1042-L1046 HydrophobicContact CZ-CD2 4.02Å; F1042-L1046 VanDerWaalsContact O-CB 3.3Å; F1042-L1046 WeakPolarHBondContact O-CB 3.41Å; F1042-L1046 PolarHBondContact O-N 3.36Å; F1043-L1046 PolarHBondContact O-N 3.39Å; L1046-S1049 PolarHBondContact O-N 3.21Å; L1046-I1050 HydrophobicContact CD1-CD1 4.26Å; L1046-I1050 HydrophobicContact CG-CD1 4.18Å; L1046-I1050 VanDerWaalsContact O-CG1 3.31Å; L1046-I1050 WeakPolarHBondContact O-CG1 3.5Å; L1046-I1050 PolarHBondContact O-N 3.3Å
1047	I	95.9	Very high	95.3	Very high	42 Å²	42	51.6 Å²	51.6	22%	0.215	27%	0.271	C	S	.	.	H	α-helix	trans	-69.5	-40.9	-176.6	-67.1	168.4	0	0	0	110.6	F1022 L1026 F1043 S1049 I1050 F1051	F1022-I1047 HydrophobicContact CE1-CG2 4.17Å; F1022-I1047 HydrophobicContact CZ-CG2 3.91Å; L1026-I1047 HydrophobicContact CD1-CD1 3.87Å; L1026-I1047 HydrophobicContact CD2-CB 3.78Å; L1026-I1047 HydrophobicContact CD2-CD1 3.78Å; L1026-I1047 HydrophobicContact CD2-CG1 4.34Å; L1026-I1047 HydrophobicContact CD2-CG2 3.92Å; L1026-I1047 HydrophobicContact CG-CD1 4.45Å; F1043-I1047 HydrophobicContact CD1-CD1 4.37Å; F1043-I1047 VanDerWaalsContact O-CB 3.3Å; F1043-I1047 WeakPolarHBondContact O-CB 3.42Å; F1043-I1047 WeakPolarHBondContact O-CG1 3.47Å; F1043-I1047 PolarHBondContact O-N 2.9Å; I1047-S1049 VanDerWaalsContact C-N 3.32Å; I1047-S1049 PolarHBondContact O-N 3.41Å; I1047-I1050 PolarHBondContact O-N 3.46Å; I1047-F1051 HydrophobicContact CG2-CD2 3.7Å; I1047-F1051 HydrophobicContact CG2-CE2 3.56Å; I1047-F1051 VanDerWaalsContact O-CD2 3.3Å; I1047-F1051 WeakPolarHBondContact O-CD2 3.32Å; I1047-F1051 PolarHBondContact O-N 3.09Å
1048	G	93.6	Very high	95.3	Very high	15 Å²	15	54.8 Å²	54.8	16%	0.155	29%	0.288	C	S	.	.	H	α-helix	trans	-60.2	-40.6	174.3	0	0	0	0	0	112.5	V1044 F1051 T1052	V1044-G1048 WeakPolarHBondContact O-CA 3.4Å; V1044-G1048 PolarHBondContact O-N 3.41Å; G1048-F1051 PolarHBondContact O-N 3.17Å; G1048-T1052 WeakPolarHBondContact O-CB 3.37Å; G1048-T1052 PolarHBondContact O-N 3.31Å; G1048-T1052 PolarHBondContact O-OG1 2.93Å
1049	S	94.6	Very high	95.2	Very high	57 Å²	57	50.3 Å²	50.3	40%	0.399	27%	0.265	S	S	.	.	H	α-helix	trans	-65.2	-41.4	175.2	-58.9	0	0	0	0	111.8	I1045 L1046 I1047 F1051 T1052 L1053	I1045-S1049 VanDerWaalsContact O-CB 3.24Å; I1045-S1049 WeakPolarHBondContact O-CB 3.49Å; I1045-S1049 PolarHBondContact O-N 2.94Å; I1045-S1049 PolarHBondContact O-OG 3.49Å; L1046-S1049 PolarHBondContact O-N 3.21Å; I1047-S1049 VanDerWaalsContact C-N 3.32Å; I1047-S1049 PolarHBondContact O-N 3.41Å; S1049-F1051 PolarHBondContact O-N 3.1Å; S1049-T1052 PolarHBondContact O-N 3.48Å; S1049-L1053 WeakPolarHBondContact O-CB 3.41Å; S1049-L1053 VanDerWaalsContact O-CG 3.3Å; S1049-L1053 WeakPolarHBondContact O-CG 3.38Å; S1049-L1053 PolarHBondContact O-N 3.38Å
1050	I	96	Very high	95.1	Very high	81 Å²	81	50.5 Å²	50.5	42%	0.415	26%	0.261	S	S	.	.	H	α-helix	trans	-60.3	-47	175.8	-69.6	164.7	0	0	0	110.8	L1046 I1047 T1052 L1053 L1054	L1046-I1050 HydrophobicContact CD1-CD1 4.26Å; L1046-I1050 HydrophobicContact CG-CD1 4.18Å; L1046-I1050 VanDerWaalsContact O-CG1 3.31Å; L1046-I1050 WeakPolarHBondContact O-CG1 3.5Å; L1046-I1050 PolarHBondContact O-N 3.3Å; I1047-I1050 PolarHBondContact O-N 3.46Å; I1050-T1052 VanDerWaalsContact C-N 3.32Å; I1050-T1052 PolarHBondContact O-N 3.14Å; I1050-L1053 PolarHBondContact O-N 3.46Å; I1050-L1054 HydrophobicContact CG2-CD1 3.84Å; I1050-L1054 HydrophobicContact CG2-CG 4.35Å; I1050-L1054 WeakPolarHBondContact O-CB 3.35Å; I1050-L1054 VanDerWaalsContact O-CG 3.26Å; I1050-L1054 WeakPolarHBondContact O-CG 3.49Å; I1050-L1054 PolarHBondContact O-N 3.22Å
1051	F	94.8	Very high	94.9	Very high	38 Å²	38	56.4 Å²	56.4	17%	0.167	28%	0.283	C	S	.	.	H	α-helix	trans	-64	-37.9	178.2	-82.6	-65.7	0	0	0	112.8	L658 I659 I662 Y1012 F1022 I1047 G1048 S1049 L1054 R1055	L658-F1051 HydrophobicContact CD2-CD1 3.96Å; L658-F1051 HydrophobicContact CD2-CD2 3.79Å; L658-F1051 HydrophobicContact CD2-CE1 4Å; L658-F1051 HydrophobicContact CD2-CE2 3.85Å; L658-F1051 HydrophobicContact CD2-CG 3.85Å; L658-F1051 HydrophobicContact CD2-CZ 3.95Å; L658-F1051 HydrophobicContact CG-CD1 4.33Å; L658-F1051 HydrophobicContact CG-CE1 4.31Å; I659-F1051 HydrophobicContact CG1-CE1 4.42Å; I662-F1051 HydrophobicContact CD1-CD1 3.51Å; I662-F1051 HydrophobicContact CD1-CE1 4.15Å; I662-F1051 HydrophobicContact CD1-CG 4.42Å; Y1012-F1051 PolarHBondContact OH-O 2.91Å; F1022-F1051 HydrophobicContact CE1-CD2 4.15Å; F1022-F1051 HydrophobicContact CE1-CE2 4.18Å; F1022-F1051 HydrophobicContact CE2-CE2 4.25Å; F1022-F1051 HydrophobicContact CZ-CD2 4.01Å; F1022-F1051 AromaticContact CZ-CE2 3.57Å; F1022-F1051 HydrophobicContact CZ-CE2 3.57Å; F1022-F1051 HydrophobicContact CZ-CZ 4.48Å; I1047-F1051 HydrophobicContact CG2-CD2 3.7Å; I1047-F1051 HydrophobicContact CG2-CE2 3.56Å; I1047-F1051 VanDerWaalsContact O-CD2 3.3Å; I1047-F1051 WeakPolarHBondContact O-CD2 3.32Å; I1047-F1051 PolarHBondContact O-N 3.09Å; G1048-F1051 PolarHBondContact O-N 3.17Å; S1049-F1051 PolarHBondContact O-N 3.1Å; F1051-L1054 PolarHBondContact O-N 3.5Å; F1051-R1055 WeakPolarHBondContact O-CB 3.25Å; F1051-R1055 PolarHBondContact O-N 2.91Å
1052	T	94	Very high	94.8	Very high	48 Å²	48	56.4 Å²	56.4	29%	0.294	28%	0.283	S	S	.	.	H	α-helix	trans	-62.5	-50.6	175.5	-54.5	0	0	0	0	110.6	T761 G1048 S1049 I1050 L1054 R1055 D1056	T761-T1052 HydrophobicContact CG2-CG2 3.85Å; G1048-T1052 WeakPolarHBondContact O-CB 3.37Å; G1048-T1052 PolarHBondContact O-N 3.31Å; G1048-T1052 PolarHBondContact O-OG1 2.93Å; S1049-T1052 PolarHBondContact O-N 3.48Å; I1050-T1052 VanDerWaalsContact C-N 3.32Å; I1050-T1052 PolarHBondContact O-N 3.14Å; T1052-L1054 VanDerWaalsContact C-N 3.33Å; T1052-L1054 PolarHBondContact O-N 3.02Å; T1052-R1055 PolarHBondContact O-N 3.5Å; T1052-R1055 VanDerWaalsContact O-N 3.11Å; T1052-D1056 PolarHBondContact O-N 2.74Å
1053	L	94.2	Very high	94.6	Very high	119 Å²	119	51 Å²	51	62%	0.623	26%	0.259	S	S	*	.	H	α-helix	trans	-59.9	-41.3	177.2	-70.9	172.1	0	0	0	112.7	S1049 I1050 D1056 D1057	S1049-L1053 WeakPolarHBondContact O-CB 3.41Å; S1049-L1053 VanDerWaalsContact O-CG 3.3Å; S1049-L1053 WeakPolarHBondContact O-CG 3.38Å; S1049-L1053 PolarHBondContact O-N 3.38Å; I1050-L1053 PolarHBondContact O-N 3.46Å; L1053-D1056 PolarHBondContact O-N 3.07Å; L1053-D1057 PolarHBondContact O-N 3.34Å
1054	L	94.8	Very high	94.4	Very high	82 Å²	82	47.9 Å²	47.9	43%	0.429	25%	0.247	S	C	.	.	H	α-helix	trans	-64.4	-41	175.7	-74.1	172.4	0	0	0	111.6	I1050 F1051 T1052 L1058	I1050-L1054 HydrophobicContact CG2-CD1 3.84Å; I1050-L1054 HydrophobicContact CG2-CG 4.35Å; I1050-L1054 WeakPolarHBondContact O-CB 3.35Å; I1050-L1054 VanDerWaalsContact O-CG 3.26Å; I1050-L1054 WeakPolarHBondContact O-CG 3.49Å; I1050-L1054 PolarHBondContact O-N 3.22Å; F1051-L1054 PolarHBondContact O-N 3.5Å; T1052-L1054 VanDerWaalsContact C-N 3.33Å; T1052-L1054 PolarHBondContact O-N 3.02Å; L1054-L1058 VanDerWaalsContact O-CB 3.25Å; L1054-L1058 WeakPolarHBondContact O-CB 3.48Å; L1054-L1058 WeakPolarHBondContact O-CG 3.25Å; L1054-L1058 PolarHBondContact O-N 2.9Å
1055	R	94.6	Very high	94.1	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.015	27%	0.271	C	S	.	.	H	α-helix	trans	-67.2	-39.7	177.7	175.1	65.1	-176.8	74.9	1.9	112	T761 Y1012 F1051 T1052 G1059	T761-R1055 HydrophobicContact CG2-CB 3.97Å; T761-R1055 HydrophobicContact CG2-CG 3.64Å; Y1012-R1055 HydrophobicContact CD1-CG 4.17Å; Y1012-R1055 HydrophobicContact CE1-CB 4.11Å; Y1012-R1055 HydrophobicContact CE1-CG 3.52Å; Y1012-R1055 HydrophobicContact CE2-CB 4.33Å; Y1012-R1055 HydrophobicContact CE2-CG 4.24Å; Y1012-R1055 VanDerWaalsContact OH-CB 3.29Å; Y1012-R1055 WeakPolarHBondContact OH-CB 3.32Å; F1051-R1055 WeakPolarHBondContact O-CB 3.25Å; F1051-R1055 PolarHBondContact O-N 2.91Å; T1052-R1055 PolarHBondContact O-N 3.5Å; T1052-R1055 VanDerWaalsContact O-N 3.11Å; R1055-G1059 WeakPolarHBondContact O-CA 3.44Å; R1055-G1059 PolarHBondContact O-N 3.44Å
1056	D	93.4	Very high	93.8	Very high	53 Å²	53	52.9 Å²	52.9	28%	0.283	26%	0.263	S	S	.	.	H	α-helix	trans	-64.4	-51	177.4	-72.8	-29.8	0	0	0	110.7	T761 T1052 L1053 G1059 R1060	T761-D1056 WeakPolarHBondContact CB-OD1 3.44Å; T761-D1056 WeakPolarHBondContact CG2-OD1 3.49Å; T761-D1056 PolarHBondContact OG1-OD1 3.25Å; T1052-D1056 PolarHBondContact O-N 2.74Å; L1053-D1056 PolarHBondContact O-N 3.07Å; D1056-G1059 PolarHBondContact O-N 2.94Å; D1056-R1060 WeakPolarHBondContact O-CB 3.49Å; D1056-R1060 PolarHBondContact O-N 3.19Å
1057	D	93.1	Very high	93.5	Very high	44 Å²	44	49.5 Å²	49.5	24%	0.235	25%	0.245	C	C	.	.	H	α-helix	trans	-65.5	-48	-178.8	178.8	67.7	0	0	0	112.4	L1053 G1059 R1060 R1061	L1053-D1057 PolarHBondContact O-N 3.34Å; D1057-G1059 VanDerWaalsContact C-N 3.3Å; D1057-G1059 PolarHBondContact O-N 3.43Å; D1057-R1060 PolarHBondContact O-N 3.11Å; D1057-R1060 IonicContact OD1-NH2 3.36Å; D1057-R1060 PolarHBondContact OD1-NH2 2.78Å; D1057-R1061 WeakPolarHBondContact O-CG 3.31Å; D1057-R1061 PolarHBondContact O-N 3.23Å; D1057-R1061 VanDerWaalsContact O-N 3.13Å; D1057-R1061 IonicContact OD1-CZ 2.82Å; D1057-R1061 IonicContact OD1-NE 2.86Å; D1057-R1061 PolarHBondContact OD1-NE 3.16Å; D1057-R1061 IonicContact OD1-NH2 2.77Å; D1057-R1061 PolarHBondContact OD1-NH2 3.33Å; D1057-R1061 VanDerWaalsContact OD1-NH2 3.13Å; D1057-R1061 IonicContact OD2-CZ 3.34Å; D1057-R1061 IonicContact OD2-NE 3.56Å; D1057-R1061 PolarHBondContact OD2-NE 2.92Å; D1057-R1061 IonicContact OD2-NH1 3.28Å; D1057-R1061 IonicContact OD2-NH2 2.92Å; D1057-R1061 PolarHBondContact OD2-NH2 2.94Å
1058	L	94.5	Very high	93.2	Very high	73 Å²	73	49.4 Å²	49.4	38%	0.382	25%	0.245	S	C	.	.	H	α-helix	trans	-66.8	-35.8	178.5	-66.9	177.1	0	0	0	111.9	I662 C666 L1054 N1062	I662-L1058 HydrophobicContact CG2-CD1 4.34Å; C666-L1058 HydrophobicContact CB-CB 3.97Å; C666-L1058 VanDerWaalsContact SG-CB 3.58Å; L1054-L1058 VanDerWaalsContact O-CB 3.25Å; L1054-L1058 WeakPolarHBondContact O-CB 3.48Å; L1054-L1058 WeakPolarHBondContact O-CG 3.25Å; L1054-L1058 PolarHBondContact O-N 2.9Å; L1058-N1062 WeakPolarHBondContact O-CB 3.44Å; L1058-N1062 PolarHBondContact O-N 3.45Å
1059	G	93.7	Very high	92.9	Very high	2 Å²	2	49.4 Å²	49.4	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-63.9	-50.3	176.2	0	0	0	0	0	112.3	R1055 D1056 D1057 R1061 N1062 T1063	R1055-G1059 WeakPolarHBondContact O-CA 3.44Å; R1055-G1059 PolarHBondContact O-N 3.44Å; D1056-G1059 PolarHBondContact O-N 2.94Å; D1057-G1059 VanDerWaalsContact C-N 3.3Å; D1057-G1059 PolarHBondContact O-N 3.43Å; G1059-R1061 PolarHBondContact O-N 2.97Å; G1059-N1062 WeakPolarHBondContact O-CB 3.37Å; G1059-N1062 PolarHBondContact O-N 3.09Å; G1059-N1062 VanDerWaalsContact O-N 3.1Å; G1059-T1063 PolarHBondContact O-N 3.27Å; G1059-T1063 PolarHBondContact O-OG1 3.42Å; G1059-T1063 VanDerWaalsContact O-OG1 3.1Å
1060	R	93.3	Very high	92.5	Very high	71 Å²	71	49.9 Å²	49.9	27%	0.268	24%	0.24	S	C	.	.	H	α-helix	trans	-56.8	-47.1	176.5	-179.5	176.5	65.8	-159.5	-6.5	112.2	D1056 D1057 N1062 T1063 A1064 E1071 L1074 I1075	D1056-R1060 WeakPolarHBondContact O-CB 3.49Å; D1056-R1060 PolarHBondContact O-N 3.19Å; D1057-R1060 PolarHBondContact O-N 3.11Å; D1057-R1060 IonicContact OD1-NH2 3.36Å; D1057-R1060 PolarHBondContact OD1-NH2 2.78Å; R1060-N1062 VanDerWaalsContact C-N 3.28Å; R1060-N1062 PolarHBondContact O-N 2.84Å; R1060-T1063 PolarHBondContact O-N 2.98Å; R1060-A1064 PolarHBondContact O-N 3.33Å; R1060-E1071 IonicContact NE-OE1 2.71Å; R1060-L1074 HydrophobicContact CG-CB 3.84Å; R1060-L1074 HydrophobicContact CG-CD1 4.26Å; R1060-I1075 PolarHBondContact NH1-OXT 2.81Å
1061	R	93.1	Very high	92	Very high	124 Å²	124	49.8 Å²	49.8	47%	0.468	24%	0.238	S	C	.	.	H	α-helix	trans	-60.5	-39.3	176.2	-72	176.9	-166.7	-169.9	11.5	112.1	D1057 G1059 R1065 E1071	D1057-R1061 WeakPolarHBondContact O-CG 3.31Å; D1057-R1061 PolarHBondContact O-N 3.23Å; D1057-R1061 VanDerWaalsContact O-N 3.13Å; D1057-R1061 IonicContact OD1-CZ 2.82Å; D1057-R1061 IonicContact OD1-NE 2.86Å; D1057-R1061 PolarHBondContact OD1-NE 3.16Å; D1057-R1061 IonicContact OD1-NH2 2.77Å; D1057-R1061 PolarHBondContact OD1-NH2 3.33Å; D1057-R1061 VanDerWaalsContact OD1-NH2 3.13Å; D1057-R1061 IonicContact OD2-CZ 3.34Å; D1057-R1061 IonicContact OD2-NE 3.56Å; D1057-R1061 PolarHBondContact OD2-NE 2.92Å; D1057-R1061 IonicContact OD2-NH1 3.28Å; D1057-R1061 IonicContact OD2-NH2 2.92Å; D1057-R1061 PolarHBondContact OD2-NH2 2.94Å; G1059-R1061 PolarHBondContact O-N 2.97Å; R1061-R1065 VanDerWaalsContact O-CB 3.29Å; R1061-R1065 WeakPolarHBondContact O-CB 3.47Å; R1061-R1065 PolarHBondContact O-N 3.2Å; R1061-E1071 VanDerWaalsContact CG-OE1 3.26Å; R1061-E1071 WeakPolarHBondContact CG-OE1 3.38Å
1062	N	93.5	Very high	91.7	Very high	7 Å²	7	57.6 Å²	57.6	4%	0.037	27%	0.266	C	S	.	.	H	α-helix	trans	-68.4	-44.3	176.4	-170.4	56.3	0	0	0	111.5	C666 M668 L1058 G1059 R1060 A1064 R1065 K1066	C666-N1062 WeakPolarHBondContact O-CB 3.32Å; C666-N1062 PolarHBondContact O-OD1 2.99Å; M668-N1062 PolarHBondContact O-ND2 2.89Å; L1058-N1062 WeakPolarHBondContact O-CB 3.44Å; L1058-N1062 PolarHBondContact O-N 3.45Å; G1059-N1062 WeakPolarHBondContact O-CB 3.37Å; G1059-N1062 PolarHBondContact O-N 3.09Å; G1059-N1062 VanDerWaalsContact O-N 3.1Å; R1060-N1062 VanDerWaalsContact C-N 3.28Å; R1060-N1062 PolarHBondContact O-N 2.84Å; N1062-A1064 PolarHBondContact O-N 2.99Å; N1062-R1065 PolarHBondContact O-N 3.3Å; N1062-R1065 PolarHBondContact OD1-NH2 2.96Å; N1062-K1066 WeakPolarHBondContact O-CB 3.5Å; N1062-K1066 WeakPolarHBondContact O-CG 3.46Å; N1062-K1066 PolarHBondContact O-N 3.44Å; N1062-K1066 WeakPolarHBondContact OD1-CG 3.48Å
1063	T	93.4	Very high	91.5	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-55.2	-52.5	174	-53.7	0	0	0	0	110.6	A753 N757 Q760 G1059 R1060 R1065 K1066 T1067 L1074	A753-T1063 HydrophobicContact CB-CG2 4.39Å; N757-T1063 WeakPolarHBondContact OD1-CB 3.17Å; N757-T1063 PolarHBondContact OD1-OG1 3.03Å; Q760-T1063 PolarHBondContact NE2-OG1 3.28Å; G1059-T1063 PolarHBondContact O-N 3.27Å; G1059-T1063 PolarHBondContact O-OG1 3.42Å; G1059-T1063 VanDerWaalsContact O-OG1 3.1Å; R1060-T1063 PolarHBondContact O-N 2.98Å; T1063-R1065 PolarHBondContact O-N 3.09Å; T1063-K1066 PolarHBondContact O-N 3.08Å; T1063-T1067 HydrophobicContact CG2-CG2 3.93Å; T1063-T1067 WeakPolarHBondContact O-CB 3.45Å; T1063-T1067 WeakPolarHBondContact O-CG2 3.48Å; T1063-T1067 PolarHBondContact O-N 3.1Å; T1063-T1067 PolarHBondContact O-OG1 3.36Å; T1063-L1074 HydrophobicContact CG2-CD1 4.05Å
1064	A	92	Very high	91.2	Very high	9 Å²	9	54.6 Å²	54.6	7%	0.074	25%	0.245	C	C	.	.	H	α-helix	trans	-54.2	-52.7	178.1	0	0	0	0	0	111.8	R1060 N1062 K1066 L1068 V1069 E1071 L1074	R1060-A1064 PolarHBondContact O-N 3.33Å; N1062-A1064 PolarHBondContact O-N 2.99Å; A1064-K1066 VanDerWaalsContact C-N 3.34Å; A1064-K1066 PolarHBondContact O-N 2.88Å; A1064-L1068 WeakPolarHBondContact O-CA 3.38Å; A1064-L1068 PolarHBondContact O-N 2.99Å; A1064-V1069 CarbonylContact C-O 3.56Å; A1064-V1069 VanDerWaalsContact CA-O 3.24Å; A1064-V1069 WeakPolarHBondContact CA-O 3.43Å; A1064-V1069 WeakPolarHBondContact CB-O 3.48Å; A1064-V1069 PolarHBondContact O-N 3.21Å; A1064-V1069 VanDerWaalsContact O-O 3.11Å; A1064-E1071 HydrophobicContact CB-CB 3.8Å; A1064-E1071 HydrophobicContact CB-CG 4.28Å; A1064-L1074 HydrophobicContact CB-CD1 3.65Å
1065	R	90.3	Very high	90.5	Very high	134 Å²	134	57.3 Å²	57.3	51%	0.506	26%	0.258	S	S	.	.	H	α-helix	trans	-62.3	-38.1	-177.7	-176.5	-179.5	62.6	173.1	-2.7	113.1	Y926 R1061 N1062 T1063	Y926-R1065 PolarHBondContact OH-O 3.1Å; R1061-R1065 VanDerWaalsContact O-CB 3.29Å; R1061-R1065 WeakPolarHBondContact O-CB 3.47Å; R1061-R1065 PolarHBondContact O-N 3.2Å; N1062-R1065 PolarHBondContact O-N 3.3Å; N1062-R1065 PolarHBondContact OD1-NH2 2.96Å; T1063-R1065 PolarHBondContact O-N 3.09Å
1066	K	91	Very high	90.3	Very high	34 Å²	34	60 Å²	60	15%	0.148	27%	0.271	C	S	.	.	H	α-helix	trans	-89.8	-35.8	-172.2	-62	-60.9	-176.6	170.2	0	113.2	D669 I670 N1062 T1063 A1064 L1068	D669-K1066 HydrophobicContact CB-CD 4.37Å; D669-K1066 VanDerWaalsContact OD1-CD 3.22Å; D669-K1066 WeakPolarHBondContact OD1-CD 3.27Å; D669-K1066 WeakPolarHBondContact OD1-CE 3.3Å; D669-K1066 IonicContact OD1-NZ 2.84Å; D669-K1066 PolarHBondContact OD1-NZ 3.26Å; I670-K1066 HydrophobicContact CG2-CB 3.91Å; I670-K1066 CarbonylContact O-C 3.48Å; I670-K1066 WeakPolarHBondContact O-CB 3.3Å; N1062-K1066 WeakPolarHBondContact O-CB 3.5Å; N1062-K1066 WeakPolarHBondContact O-CG 3.46Å; N1062-K1066 PolarHBondContact O-N 3.44Å; N1062-K1066 WeakPolarHBondContact OD1-CG 3.48Å; T1063-K1066 PolarHBondContact O-N 3.08Å; A1064-K1066 VanDerWaalsContact C-N 3.34Å; A1064-K1066 PolarHBondContact O-N 2.88Å; K1066-L1068 VanDerWaalsContact C-N 3.26Å
1067	T	90.8	Very high	90.2	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.012	27%	0.27	C	S	.	.	H	α-helix	trans	-79	-11.2	173.5	63.6	0	0	0	0	112.9	I670 L672 T1063 V1069	I670-T1067 HydrophobicContact CG1-CG2 4.08Å; I670-T1067 HydrophobicContact CG2-CG2 3.95Å; I670-T1067 PolarHBondContact O-N 3.37Å; L672-T1067 HydrophobicContact CD1-CG2 3.99Å; L672-T1067 HydrophobicContact CG-CG2 3.88Å; T1063-T1067 HydrophobicContact CG2-CG2 3.93Å; T1063-T1067 WeakPolarHBondContact O-CB 3.45Å; T1063-T1067 WeakPolarHBondContact O-CG2 3.48Å; T1063-T1067 PolarHBondContact O-N 3.1Å; T1063-T1067 PolarHBondContact O-OG1 3.36Å; T1067-V1069 PolarHBondContact O-N 3.14Å; T1067-V1069 WeakPolarHBondContact OG1-CG2 3.38Å; T1067-V1069 PolarHBondContact OG1-N 2.65Å
1068	L	89.1	Confident	90	Very high	39 Å²	39	61.3 Å²	61.3	20%	0.204	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	19.1	-174.7	-50.6	175.4	0	0	0	113.3	Y926 L929 T949 V952 Y953 A1064 K1066	Y926-L1068 HydrophobicContact CE2-CD2 4.27Å; L929-L1068 HydrophobicContact CD1-CD1 3.93Å; L929-L1068 HydrophobicContact CD1-CD2 3.46Å; L929-L1068 VanDerWaalsContact CD1-CD2 3.46Å; L929-L1068 HydrophobicContact CD1-CG 4.37Å; T949-L1068 HydrophobicContact CG2-CB 3.97Å; T949-L1068 HydrophobicContact CG2-CD1 4.32Å; T949-L1068 HydrophobicContact CG2-CD2 4.21Å; T949-L1068 HydrophobicContact CG2-CG 4.4Å; V952-L1068 HydrophobicContact CG1-CD1 4.5Å; Y953-L1068 HydrophobicContact CD2-CD1 4.45Å; A1064-L1068 WeakPolarHBondContact O-CA 3.38Å; A1064-L1068 PolarHBondContact O-N 2.99Å; K1066-L1068 VanDerWaalsContact C-N 3.26Å
1069	V	87	Confident	89.7	Confident	15 Å²	15	60.6 Å²	60.6	9%	0.091	27%	0.265	C	S	.	.			trans	-83.5	134.1	169.9	179.5	0	0	0	0	108.5	I749 I750 A1064 T1067 E1071 F1073 L1074	I749-V1069 HydrophobicContact CG2-CG2 3.89Å; I750-V1069 HydrophobicContact CG1-CG1 4.09Å; A1064-V1069 CarbonylContact C-O 3.56Å; A1064-V1069 VanDerWaalsContact CA-O 3.24Å; A1064-V1069 WeakPolarHBondContact CA-O 3.43Å; A1064-V1069 WeakPolarHBondContact CB-O 3.48Å; A1064-V1069 PolarHBondContact O-N 3.21Å; A1064-V1069 VanDerWaalsContact O-O 3.11Å; T1067-V1069 PolarHBondContact O-N 3.14Å; T1067-V1069 WeakPolarHBondContact OG1-CG2 3.38Å; T1067-V1069 PolarHBondContact OG1-N 2.65Å; V1069-E1071 PolarHBondContact O-N 2.84Å; V1069-F1073 HydrophobicContact CG1-CB 4.29Å; V1069-L1074 HydrophobicContact CG1-CD2 3.96Å; V1069-L1074 HydrophobicContact CG1-CG 4.35Å
1070	D	85.6	Confident	89.5	Confident	68 Å²	68	64.3 Å²	64.3	36%	0.364	28%	0.281	S	S	.	.			trans	-62.3	130.6	175.9	-173.5	-44.6	0	0	0	110	R1072 F1073	D1070-R1072 PolarHBondContact O-N 3.31Å; D1070-R1072 WeakPolarHBondContact OD1-CB 3.27Å; D1070-R1072 WeakPolarHBondContact OD1-CG 3.48Å; D1070-R1072 IonicContact OD1-CZ 3.95Å; D1070-R1072 PolarHBondContact OD1-N 3.11Å; D1070-R1072 IonicContact OD1-NE 3.72Å; D1070-R1072 PolarHBondContact OD1-NE 2.75Å; D1070-R1072 IonicContact OD1-NH2 3.03Å; D1070-R1072 IonicContact OD2-CZ 2.69Å; D1070-R1072 IonicContact OD2-NE 3.93Å; D1070-R1072 PolarHBondContact OD2-NE 3.41Å; D1070-R1072 IonicContact OD2-NH2 3.23Å; D1070-R1072 PolarHBondContact OD2-NH2 2.96Å; D1070-F1073 HydrophobicContact CB-CD2 3.77Å; D1070-F1073 HydrophobicContact CB-CE2 3.95Å; D1070-F1073 PolarHBondContact O-N 3.04Å
1071	E	86.7	Confident	89.2	Confident	78 Å²	78	63.8 Å²	63.8	36%	0.364	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-56	-26.4	-176.2	-172.2	176	179.2	0	0	112.7	R1060 R1061 A1064 V1069 F1073 L1074	R1060-E1071 IonicContact NE-OE1 2.71Å; R1061-E1071 VanDerWaalsContact CG-OE1 3.26Å; R1061-E1071 WeakPolarHBondContact CG-OE1 3.38Å; A1064-E1071 HydrophobicContact CB-CB 3.8Å; A1064-E1071 HydrophobicContact CB-CG 4.28Å; V1069-E1071 PolarHBondContact O-N 2.84Å; E1071-F1073 PolarHBondContact O-N 3.05Å; E1071-L1074 WeakPolarHBondContact O-CB 3.1Å; E1071-L1074 PolarHBondContact O-N 2.97Å
1072	R	88.5	Confident	89	Confident	202 Å²	202	59.5 Å²	59.5	76%	0.762	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-65.6	-21.3	178.2	-65.2	176.3	-68.9	168.4	0.6	114.1	D1070 L1074	D1070-R1072 PolarHBondContact O-N 3.31Å; D1070-R1072 WeakPolarHBondContact OD1-CB 3.27Å; D1070-R1072 WeakPolarHBondContact OD1-CG 3.48Å; D1070-R1072 IonicContact OD1-CZ 3.95Å; D1070-R1072 PolarHBondContact OD1-N 3.11Å; D1070-R1072 IonicContact OD1-NE 3.72Å; D1070-R1072 PolarHBondContact OD1-NE 2.75Å; D1070-R1072 IonicContact OD1-NH2 3.03Å; D1070-R1072 IonicContact OD2-CZ 2.69Å; D1070-R1072 IonicContact OD2-NE 3.93Å; D1070-R1072 PolarHBondContact OD2-NE 3.41Å; D1070-R1072 IonicContact OD2-NH2 3.23Å; D1070-R1072 PolarHBondContact OD2-NH2 2.96Å; R1072-L1074 VanDerWaalsContact C-N 3.34Å
1073	F	88.5	Confident	88.6	Confident	93 Å²	93	63.5 Å²	63.5	41%	0.408	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-88.8	-8.6	174.5	-61.7	-68.3	0	0	0	112.7	W747 I750 N754 V1069 D1070 E1071	W747-F1073 HydrophobicContact CH2-CD1 4.44Å; W747-F1073 HydrophobicContact CH2-CE1 4.42Å; W747-F1073 HydrophobicContact CZ3-CD1 4.5Å; I750-F1073 HydrophobicContact CD1-CB 4.19Å; I750-F1073 HydrophobicContact CD1-CD1 4.26Å; I750-F1073 HydrophobicContact CD1-CD2 4.33Å; I750-F1073 HydrophobicContact CD1-CG 4.01Å; I750-F1073 HydrophobicContact CG1-CB 4.4Å; I750-F1073 HydrophobicContact CG2-CB 3.89Å; N754-F1073 PolarHBondContact ND2-O 2.67Å; N754-F1073 PolarHBondContact OD1-O 2.9Å; V1069-F1073 HydrophobicContact CG1-CB 4.29Å; D1070-F1073 HydrophobicContact CB-CD2 3.77Å; D1070-F1073 HydrophobicContact CB-CE2 3.95Å; D1070-F1073 PolarHBondContact O-N 3.04Å; E1071-F1073 PolarHBondContact O-N 3.05Å
1074	L	87.9	Confident	88.2	Confident	11 Å²	11	68.8 Å²	68.8	6%	0.058	31%	0.309	C	S	.	.			trans	-91.6	127.4	180	-61.3	-169.5	0	0	0	110.8	A753 N754 R1060 T1063 A1064 V1069 E1071 R1072	A753-L1074 HydrophobicContact CB-CD2 3.64Å; N754-L1074 WeakPolarHBondContact OD1-CA 3.32Å; R1060-L1074 HydrophobicContact CG-CB 3.84Å; R1060-L1074 HydrophobicContact CG-CD1 4.26Å; T1063-L1074 HydrophobicContact CG2-CD1 4.05Å; A1064-L1074 HydrophobicContact CB-CD1 3.65Å; V1069-L1074 HydrophobicContact CG1-CD2 3.96Å; V1069-L1074 HydrophobicContact CG1-CG 4.35Å; E1071-L1074 WeakPolarHBondContact O-CB 3.1Å; E1071-L1074 PolarHBondContact O-N 2.97Å; R1072-L1074 VanDerWaalsContact C-N 3.34Å
1075	I	81	Confident	87.9	Confident	140 Å²	140	74.2 Å²	74.2	72%	0.718	33%	0.33	S	S	*	.			trans	-80.4	0	175.9	-56.2	176.1	0	0	0	108.7	N754 R1060	N754-I1075 PolarHBondContact OD1-N 3.28Å; R1060-I1075 PolarHBondContact NH1-OXT 2.81Å

Retrieved 1,075 of 1,075 residues in 1480.2 ms (Link to these results)

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