G4VD81_SCHMA Loading...

Kinesin-like protein

AlphaFold DB , UniProt , Accession G4VD81, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 867 aa.

						>G4VD81_SCHMA|G4VD81
MSSSLISKNVDPLHTQNVEVFCRVKPFLSQEIPCIEVCDEKTIKSVGHRSGNRKETSHSFTCVLPPDAGQDVVFQKVAFPVVTDFLHGKNGLLFTYGVTGSGKTYSMEGSSKDPGILPRSLDVIFNSIGQFQTKKYVVKPDGFNGFIIQSEADALMDRHRFDFQQRSRLPKSDFKSVNMVERTCESISVNIPWKSLFAVFVSLIEVYNNSIYDLLQDVSDLPGRNLTTRILREDSQRNVYVYGGVEVEVKSADEALDLFCAGQKRRRIGQTALNVESSRSHCVFTIRLVRTGYDTKYDEAVQDKESVVISHLCLVDLAGSERTSRSGTQGNRLKEASNINNSLMNLRKCIKALRDIQTNGNKSRGTTTTPIGHPRVVPYRDARLTYLFKNFFEGDGRVAMLVCIQQAPEEYEETMHVLKFAETSQEITTYRNIVQPTPFRTPYGQSRSRIQTPVRVSDDSSSTTENSTVTVNIDDQATQIFADLDFLDREITSCLNKMSNGDSFIGLNLDFDITDFNDSDIRAGLGLQDENSDLTPYESEQDSAPEQDRLPRPFLDLKIIDTNPLRALINRRLERKKQAYDSLQTLFPSLQALFIELLNNEKHISPEVVKTNQPKPGGNLVSTLSKQWESRLAQQRAEAKLLSRPNNNNTKRIDEKITLTPGKPNERRAAPAFNPRHRRSRSVGGDNARWLEHQEVNNTPLGTLFTPNLKHRKSVTRVELKDTLNADNYLLHHQEADSDGNVKTSLFKGAIIPTAGGGSAVVFNDVEVLRQSSPGREQRKSSRSRGADAHLKQVICEPSRRSGIKRRYSNSPPRRPSNESVSTHSSQSTMASDYCPISPSIEKISTAKCYIGIDSNGGMGLRKRSRV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	30.3	Very low	32.6	Very low	243 Å²	243	144.3 Å²	144.3	100%	1.197	81%	0.813	S	S	*	*				0	88.9	0	-69	166.8	167.5	0	0	108
2	S	27.9	Very low	33.3	Very low	111 Å²	111	141.5 Å²	141.5	78%	0.776	81%	0.805	S	S	*	*			trans	-168.7	54.9	-171.1	59.5	0	0	0	0	111.3
3	S	28.1	Very low	33.9	Very low	118 Å²	118	142.2 Å²	142.2	83%	0.825	80%	0.804	S	S	*	*			trans	-141.5	33.2	-164.6	53.8	0	0	0	0	113
4	S	30.5	Very low	35.1	Very low	107 Å²	107	137.3 Å²	137.3	75%	0.748	77%	0.771	S	S	*	*			trans	-148.7	49.9	-165.2	58.8	0	0	0	0	113.4
5	L	32.9	Very low	36.6	Very low	168 Å²	168	131.9 Å²	131.9	88%	0.88	74%	0.743	S	S	*	*			trans	-138.3	35.7	177.2	-75.7	179.6	0	0	0	113.9
6	I	36.4	Very low	38.4	Very low	177 Å²	177	125.1 Å²	125.1	91%	0.908	70%	0.703	S	S	*	*			trans	-128.2	71.5	167.8	-49.6	-179.7	0	0	0	108.8
7	S	30.8	Very low	40.5	Very low	117 Å²	117	122.6 Å²	122.6	82%	0.818	69%	0.688	S	S	*	*			trans	-159.4	56.2	171	-177.8	0	0	0	0	110.3
8	K	36.6	Very low	42.9	Very low	191 Å²	191	116.5 Å²	116.5	83%	0.83	65%	0.654	S	S	*	*	S	Bend	trans	-99.9	143.7	158.8	-68	-173.5	176.3	-174.1	0	107.4	V10	K8-V10 PolarHBondContact O-N 3.15Å
9	N	33.5	Very low	45.4	Very low	164 Å²	164	112.4 Å²	112.4	88%	0.877	63%	0.629	S	S	*	*			trans	-61.5	129.1	170.2	-65.5	-29.2	0	0	0	107.8
10	V	38.3	Very low	47.8	Very low	90 Å²	90	106.8 Å²	106.8	55%	0.545	60%	0.597	S	S	.	*			trans	-105.3	123.3	179.7	179.8	0	0	0	0	107.8	K8 H14	K8-V10 PolarHBondContact O-N 3.15Å; V10-H14 HydrophobicContact CG1-CB 4.34Å
11	D	33.5	Very low	50.1	Low	101 Å²	101	102.3 Å²	102.3	54%	0.54	57%	0.572	S	S	.	*			trans	-64.3	135.1	175.4	-62.1	-56.8	0	0	0	110.6	L13 H14	D11-L13 PolarHBondContact O-N 3.38Å; D11-H14 PolarHBondContact O-N 2.96Å
12	P	40.7	Very low	53.3	Low	111 Å²	111	90.7 Å²	90.7	72%	0.721	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-55.7	-17.6	179.2	-28.1	35.7	0	0	0	115.2	H14 T15	P12-H14 PolarHBondContact O-N 2.68Å; P12-T15 PolarHBondContact O-OG1 2.82Å
13	L	41.2	Very low	56.6	Low	151 Å²	151	86.5 Å²	86.5	79%	0.791	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-66.2	-17.3	174.7	-73.6	140.1	0	0	0	114.2	D11	D11-L13 PolarHBondContact O-N 3.38Å
14	H	51.4	Low	59.9	Low	73 Å²	73	80.9 Å²	80.9	34%	0.338	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-100.9	1	-176.2	-68.8	95	0	0	0	114.5	V10 D11 P12 R431	V10-H14 HydrophobicContact CG1-CB 4.34Å; D11-H14 PolarHBondContact O-N 2.96Å; P12-H14 PolarHBondContact O-N 2.68Å; H14-R431 VanDerWaalsContact O-CB 3.27Å; H14-R431 WeakPolarHBondContact O-CB 3.47Å; H14-R431 WeakPolarHBondContact O-CG 3.25Å; H14-R431 PolarHBondContact O-N 2.91Å
15	T	56.3	Low	62.9	Low	56 Å²	56	79.1 Å²	79.1	34%	0.344	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	131.2	175.2	35.3	0	0	0	0	111.7	P12 T428 Y430	P12-T15 PolarHBondContact O-OG1 2.82Å; T15-T428 HydrophobicContact CG2-CG2 3.46Å; T15-T428 VanDerWaalsContact CG2-CG2 3.46Å; T15-Y430 HydrophobicContact CG2-CD1 3.9Å; T15-Y430 HydrophobicContact CG2-CE1 4.22Å
16	Q	65.6	Low	65.7	Low	24 Å²	24	74.6 Å²	74.6	11%	0.112	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	138.4	170.9	-163.7	-167.5	-16.8	0	0	110	E19 R397 T428 T429	Q16-E19 PolarHBondContact NE2-OE1 2.8Å; Q16-E19 PolarHBondContact NE2-OE2 2.86Å; Q16-R397 VanDerWaalsContact NE2-NE 3.12Å; Q16-T428 CarbonylContact O-C 3.55Å; Q16-T429 PolarHBondContact N-O 3.39Å; Q16-T429 PolarHBondContact O-N 2.85Å; Q16-T429 PolarHBondContact O-OG1 2.89Å
17	N	73.8	Confident	68.1	Low	83 Å²	83	68.7 Å²	68.7	44%	0.444	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	157.5	173.4	-68.4	-4.4	0	0	0	111.8	E19 I427 T428	N17-E19 PolarHBondContact O-N 3.36Å; N17-I427 CarbonylContact C-O 3.31Å; N17-I427 VanDerWaalsContact CA-O 3.22Å; N17-I427 WeakPolarHBondContact CA-O 3.22Å; N17-T428 WeakPolarHBondContact OD1-CB 3.4Å; N17-T428 PolarHBondContact OD1-OG1 2.88Å
18	V	83.8	Confident	70.6	Confident	12 Å²	12	71.2 Å²	71.2	7%	0.073	37%	0.373	C	S	.	.			trans	-64.3	119.8	169.4	178.7	0	0	0	0	108.8	V20 V398 I427 T429	V18-V20 HydrophobicContact CG1-CG2 4.08Å; V18-V20 PolarHBondContact O-N 2.9Å; V18-V398 HydrophobicContact CG1-CB 4.47Å; V18-V398 HydrophobicContact CG1-CG1 4.15Å; V18-V398 HydrophobicContact CG2-CB 4.36Å; V18-I427 HydrophobicContact CG2-CB 3.93Å; V18-I427 HydrophobicContact CG2-CG2 3.97Å; V18-I427 PolarHBondContact N-O 3.16Å; V18-T429 HydrophobicContact CG2-CG2 4.35Å
19	E	90.4	Very high	72.8	Confident	39 Å²	39	64.7 Å²	64.7	18%	0.182	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	116	-177.5	-69.3	164.5	138.9	0	0	109.2	Q16 N17 F21 T61 R397 V398 A399 M400	Q16-E19 PolarHBondContact NE2-OE1 2.8Å; Q16-E19 PolarHBondContact NE2-OE2 2.86Å; N17-E19 PolarHBondContact O-N 3.36Å; E19-F21 HydrophobicContact CB-CD2 4.49Å; E19-F21 HydrophobicContact CB-CE2 3.64Å; E19-F21 HydrophobicContact CB-CZ 4.17Å; E19-T61 HydrophobicContact CB-CG2 4.34Å; E19-T61 HydrophobicContact CG-CG2 4.41Å; E19-R397 IonicContact OE1-CZ 3.9Å; E19-R397 IonicContact OE1-NE 2.77Å; E19-R397 IonicContact OE1-NH2 2.83Å; E19-R397 PolarHBondContact OE1-NH2 2.95Å; E19-R397 IonicContact OE2-CZ 2.68Å; E19-R397 IonicContact OE2-NE 2.72Å; E19-R397 PolarHBondContact OE2-NE 3.44Å; E19-R397 IonicContact OE2-NH2 3.25Å; E19-R397 PolarHBondContact OE2-NH2 3.06Å; E19-V398 PolarHBondContact N-O 3.46Å; E19-V398 VanDerWaalsContact N-O 3.1Å; E19-A399 CarbonylContact O-C 3.59Å; E19-A399 VanDerWaalsContact O-CA 3.3Å; E19-A399 WeakPolarHBondContact O-CA 3.04Å; E19-M400 PolarHBondContact O-N 3.14Å
20	V	94.2	Very high	75	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	115.1	-175.2	-171.3	0	0	0	0	109.9	V18 F60 T61 M400 V402 A421 Q425	V18-V20 HydrophobicContact CG1-CG2 4.08Å; V18-V20 PolarHBondContact O-N 2.9Å; V20-F60 HydrophobicContact CG1-CD1 4.14Å; V20-F60 HydrophobicContact CG1-CE1 4.46Å; V20-T61 PolarHBondContact N-OG1 3.34Å; V20-T61 VanDerWaalsContact O-CB 3.3Å; V20-T61 WeakPolarHBondContact O-CB 3.46Å; V20-T61 PolarHBondContact O-N 3Å; V20-T61 PolarHBondContact O-OG1 3.38Å; V20-M400 WeakPolarHBondContact CA-O 3.17Å; V20-M400 HydrophobicContact CG1-CB 4.33Å; V20-M400 HydrophobicContact CG1-CG 4.47Å; V20-M400 HydrophobicContact CG1-SD 4.43Å; V20-M400 HydrophobicContact CG2-CB 4.26Å; V20-V402 HydrophobicContact CG1-CG2 3.67Å; V20-A421 HydrophobicContact CG1-CB 4Å; V20-Q425 HydrophobicContact CB-CG 3.49Å; V20-Q425 VanDerWaalsContact CB-CG 3.49Å; V20-Q425 HydrophobicContact CG1-CG 4.42Å; V20-Q425 HydrophobicContact CG2-CB 4.39Å; V20-Q425 HydrophobicContact CG2-CG 3.43Å; V20-Q425 VanDerWaalsContact CG2-CG 3.43Å
21	F	96.8	Very high	77.1	Confident	12 Å²	12	67.2 Å²	67.2	5%	0.053	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	136.8	-177.6	-59.1	-96.9	0	0	0	108.9	E19 T61 C62 K76 V77 A399 M400 L401 V402	E19-F21 HydrophobicContact CB-CD2 4.49Å; E19-F21 HydrophobicContact CB-CE2 3.64Å; E19-F21 HydrophobicContact CB-CZ 4.17Å; F21-T61 HydrophobicContact CE1-CG2 4.31Å; F21-T61 HydrophobicContact CZ-CG2 4.27Å; F21-C62 WeakPolarHBondContact CA-O 3.43Å; F21-C62 HydrophobicContact CD1-CB 3.94Å; F21-C62 HydrophobicContact CE1-CB 4.25Å; F21-K76 VanDerWaalsContact CE1-O 3.24Å; F21-K76 WeakPolarHBondContact CE1-O 3.34Å; F21-K76 WeakPolarHBondContact CZ-O 3.27Å; F21-V77 HydrophobicContact CB-CG2 3.99Å; F21-V77 HydrophobicContact CD1-CG2 3.77Å; F21-V77 HydrophobicContact CD2-CB 4.39Å; F21-V77 HydrophobicContact CD2-CG1 3.74Å; F21-V77 HydrophobicContact CD2-CG2 4.22Å; F21-V77 HydrophobicContact CE1-CG2 4.26Å; F21-V77 HydrophobicContact CE2-CG1 4.04Å; F21-V77 HydrophobicContact CG-CB 4.4Å; F21-V77 HydrophobicContact CG-CG1 4.11Å; F21-V77 HydrophobicContact CG-CG2 3.74Å; F21-A399 HydrophobicContact CE2-CB 4.4Å; F21-M400 PolarHBondContact N-O 2.96Å; F21-L401 HydrophobicContact CB-CD1 3.88Å; F21-V402 WeakPolarHBondContact O-CB 3.32Å; F21-V402 PolarHBondContact O-N 2.98Å
22	C	97.2	Very high	79.6	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127.9	175.4	-169.9	0	0	0	0	109.4	F60 C62 V63 L64 V402	C22-F60 HydrophobicContact CB-CB 4.3Å; C22-F60 HydrophobicContact CB-CD1 4.03Å; C22-F60 HydrophobicContact CB-CD2 3.57Å; C22-F60 HydrophobicContact CB-CE1 4.36Å; C22-F60 HydrophobicContact CB-CE2 3.91Å; C22-F60 HydrophobicContact CB-CG 3.65Å; C22-F60 HydrophobicContact CB-CZ 4.31Å; C22-C62 PolarHBondContact N-O 3.16Å; C22-V63 HydrophobicContact CB-CG2 4.37Å; C22-V63 CarbonylContact O-C 3.42Å; C22-V63 WeakPolarHBondContact O-CA 3.49Å; C22-L64 PolarHBondContact O-N 3.02Å; C22-V402 CarbonylContact C-O 3.55Å; C22-V402 WeakPolarHBondContact CA-O 3.4Å
23	R	97.3	Very high	82	Confident	22 Å²	22	65.5 Å²	65.5	8%	0.083	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	120.6	173.7	-172.6	-176	-169.8	-179.9	9.8	110.3	L64 A68 V73 S106 L401 V402 C403 I404	R23-L64 HydrophobicContact CB-CB 4.15Å; R23-L64 HydrophobicContact CB-CD1 4.3Å; R23-L64 HydrophobicContact CG-CB 4.03Å; R23-A68 PolarHBondContact NH2-O 3.25Å; R23-V73 VanDerWaalsContact CZ-CG2 3.44Å; R23-S106 PolarHBondContact NH1-OG 3.3Å; R23-L401 HydrophobicContact CB-CD1 3.99Å; R23-V402 PolarHBondContact N-O 3.25Å; R23-C403 WeakPolarHBondContact O-CA 3.38Å; R23-I404 PolarHBondContact O-N 3.06Å
24	V	96.2	Very high	84.4	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	126.2	174.6	-163.6	0	0	0	0	108.9	I35 V37 V63 L64 P66 I404 Q406	V24-I35 HydrophobicContact CG1-CG2 4.39Å; V24-V37 HydrophobicContact CG2-CG2 3.7Å; V24-V63 HydrophobicContact CG2-CG1 4.37Å; V24-L64 PolarHBondContact N-O 3.19Å; V24-P66 HydrophobicContact CB-CG 4.09Å; V24-P66 HydrophobicContact CG1-CG 3.96Å; V24-P66 WeakPolarHBondContact O-CA 3.49Å; V24-I404 HydrophobicContact CB-CG1 4.47Å; V24-I404 HydrophobicContact CG1-CG1 4.41Å; V24-I404 HydrophobicContact CG2-CD1 4.21Å; V24-I404 HydrophobicContact CG2-CG1 4.34Å; V24-Q406 VanDerWaalsContact CG1-CD 3.47Å; V24-Q406 HydrophobicContact CG1-CG 3.44Å; V24-Q406 VanDerWaalsContact CG1-CG 3.44Å
25	K	94	Very high	86.4	Confident	70 Å²	70	55.4 Å²	55.4	30%	0.304	29%	0.288	S	S	.	.			trans	-76.2	141.3	173.8	-179.3	-173.4	164.9	-174.9	0	110.5	F27 G100 I404 Q406	K25-F27 PolarHBondContact O-N 3.39Å; K25-G100 WeakPolarHBondContact CD-O 3.42Å; K25-G100 PolarHBondContact NZ-O 3.03Å; K25-I404 VanDerWaalsContact CB-O 3.28Å; K25-I404 WeakPolarHBondContact CB-O 3.28Å; K25-I404 PolarHBondContact N-O 2.88Å; K25-Q406 PolarHBondContact O-NE2 2.89Å
26	P	91	Very high	88	Confident	73 Å²	73	56 Å²	56	47%	0.474	29%	0.287	S	S	.	.			trans	-43.9	135.7	165.5	-30.4	33.3	0	0	0	113.6	P66	P26-P66 WeakPolarHBondContact CG-O 3.39Å
27	F	87.4	Confident	89.4	Confident	53 Å²	53	57.4 Å²	57.4	23%	0.232	30%	0.297	C	S	.	.			trans	-116.9	122.8	174.1	-168.1	-122.1	0	0	0	108.2	K25 E31 P33 Q406 A407	K25-F27 PolarHBondContact O-N 3.39Å; F27-E31 HydrophobicContact CE1-CB 4.24Å; F27-E31 WeakPolarHBondContact CE1-O 3.45Å; F27-E31 HydrophobicContact CZ-CB 4.22Å; F27-P33 HydrophobicContact CD1-CB 4.07Å; F27-P33 HydrophobicContact CE1-CB 4.39Å; F27-Q406 HydrophobicContact CB-CB 4.02Å; F27-Q406 HydrophobicContact CB-CG 4.28Å; F27-Q406 HydrophobicContact CD2-CB 4.29Å; F27-Q406 HydrophobicContact CG-CB 4.07Å; F27-A407 HydrophobicContact CE2-CB 3.81Å
28	L	83.1	Confident	90.3	Very high	171 Å²	171	55.9 Å²	55.9	90%	0.895	29%	0.292	S	S	*	.			trans	-114.8	11.5	-171.6	-57.8	176.7	0	0	0	112.4
29	S	82.8	Confident	90.7	Very high	54 Å²	54	59 Å²	59	38%	0.378	31%	0.308	S	S	.	.	S	Bend	trans	-88.2	160.8	173.5	-169.1	0	0	0	0	110.7	E31	S29-E31 VanDerWaalsContact C-N 3.27Å; S29-E31 WeakPolarHBondContact CB-OE2 3.5Å; S29-E31 VanDerWaalsContact OG-CD 3.29Å; S29-E31 PolarHBondContact OG-N 3.43Å; S29-E31 PolarHBondContact OG-OE2 3.42Å
30	Q	79.1	Confident	90.9	Very high	205 Å²	205	63 Å²	63	96%	0.958	33%	0.327	S	S	*	.	S	Bend	trans	-84.1	-2.6	171.8	-65.2	-178.9	-14.7	0	0	112.8
31	E	84	Confident	90.9	Very high	102 Å²	102	68.8 Å²	68.8	48%	0.477	35%	0.352	S	S	.	.	S	Bend	trans	-70.6	160.8	177.5	-67.8	154	145	0	0	112.2	F27 S29 P33	F27-E31 HydrophobicContact CE1-CB 4.24Å; F27-E31 WeakPolarHBondContact CE1-O 3.45Å; F27-E31 HydrophobicContact CZ-CB 4.22Å; S29-E31 VanDerWaalsContact C-N 3.27Å; S29-E31 WeakPolarHBondContact CB-OE2 3.5Å; S29-E31 VanDerWaalsContact OG-CD 3.29Å; S29-E31 PolarHBondContact OG-N 3.43Å; S29-E31 PolarHBondContact OG-OE2 3.42Å; E31-P33 WeakPolarHBondContact O-CD 3.46Å
32	I	85.3	Confident	90.8	Very high	127 Å²	127	69.8 Å²	69.8	65%	0.651	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-74	121.3	175.9	-59.2	173.7	0	0	0	108.6	P408	I32-P408 WeakPolarHBondContact O-CG 3.49Å
33	P	90.6	Very high	90.7	Very high	49 Å²	49	69.8 Å²	69.8	32%	0.318	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-66.3	142.1	178	27.1	-34	0	0	0	111.2	F27 E31 I35 Q406	F27-P33 HydrophobicContact CD1-CB 4.07Å; F27-P33 HydrophobicContact CE1-CB 4.39Å; E31-P33 WeakPolarHBondContact O-CD 3.46Å; P33-I35 PolarHBondContact O-N 2.74Å; P33-Q406 WeakPolarHBondContact CA-O 3.15Å; P33-Q406 HydrophobicContact CB-CB 3.83Å
34	C	91.2	Very high	90.5	Very high	6 Å²	6	71.4 Å²	71.4	4%	0.041	37%	0.367	C	S	.	.	S	Bend	trans	-82.2	6.4	178.1	74.7	0	0	0	0	113.8	S45 V46 Q406 A407 Y411	C34-S45 CarbonylContact O-C 3.47Å; C34-S45 WeakPolarHBondContact O-CA 3.39Å; C34-V46 PolarHBondContact O-N 3.5Å; C34-Q406 PolarHBondContact N-O 2.73Å; C34-Q406 PolarHBondContact SG-O 3.49Å; C34-A407 PolarHBondContact SG-O 3.05Å; C34-A407 VanDerWaalsContact SG-O 3.37Å; C34-Y411 HydrophobicContact CB-CD2 3.87Å; C34-Y411 HydrophobicContact CB-CG 4.4Å
35	I	93.3	Very high	90.3	Very high	5 Å²	5	71.4 Å²	71.4	3%	0.026	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	134.7	179.8	-59.8	-66.6	0	0	0	109.2	V24 P33 I43 K44 I404 Q406 T414 L418	V24-I35 HydrophobicContact CG1-CG2 4.39Å; P33-I35 PolarHBondContact O-N 2.74Å; I35-I43 HydrophobicContact CG2-CB 4.4Å; I35-I43 HydrophobicContact CG2-CD1 4.21Å; I35-K44 WeakPolarHBondContact CA-O 3.45Å; I35-I404 HydrophobicContact CD1-CD1 4.1Å; I35-I404 HydrophobicContact CG1-CD1 4.09Å; I35-I404 HydrophobicContact CG2-CD1 4.02Å; I35-Q406 HydrophobicContact CB-CG 4.29Å; I35-T414 HydrophobicContact CD1-CG2 3.91Å; I35-T414 HydrophobicContact CG1-CG2 4.44Å; I35-L418 HydrophobicContact CD1-CD1 4.08Å
36	E	91.6	Very high	90	Very high	69 Å²	69	68.6 Å²	68.6	32%	0.322	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127.4	172.5	-178.9	-166.1	126.2	0	0	107.8	C38 I43 K44	E36-C38 PolarHBondContact OE1-SG 2.91Å; E36-I43 CarbonylContact O-C 3.52Å; E36-I43 VanDerWaalsContact O-CA 3.24Å; E36-I43 WeakPolarHBondContact O-CA 3.43Å; E36-I43 WeakPolarHBondContact O-CB 3.46Å; E36-K44 HydrophobicContact CB-CB 4.32Å; E36-K44 PolarHBondContact N-O 3.21Å; E36-K44 PolarHBondContact O-N 3.45Å; E36-K44 IonicContact OE1-NZ 3.52Å; E36-K44 PolarHBondContact OE1-NZ 2.89Å; E36-K44 IonicContact OE2-NZ 3.15Å
37	V	93.3	Very high	89.6	Confident	53 Å²	53	65.1 Å²	65.1	32%	0.321	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	126.4	171.5	179.2	0	0	0	0	108.3	V24 I43 V63	V24-V37 HydrophobicContact CG2-CG2 3.7Å; V37-I43 HydrophobicContact CB-CG2 4.5Å; V37-I43 HydrophobicContact CG2-CG2 4.1Å; V37-V63 HydrophobicContact CG1-CG1 3.96Å; V37-V63 HydrophobicContact CG2-CG1 4.27Å
38	C	93	Very high	88.9	Confident	51 Å²	51	68.7 Å²	68.7	35%	0.345	35%	0.351	S	S	.	.			trans	-106	-36.9	-174.6	-57.9	0	0	0	0	112.6	E36 T42 K44	E36-C38 PolarHBondContact OE1-SG 2.91Å; C38-T42 PolarHBondContact N-O 3.44Å; C38-K44 WeakPolarHBondContact SG-CE 3.3Å
39	D	93.7	Very high	88	Confident	77 Å²	77	67.9 Å²	67.9	41%	0.412	34%	0.336	S	S	.	.	S	Bend	trans	-157.4	-177.3	175	63.3	69	0	0	0	111.1	K41 T42	D39-K41 PolarHBondContact O-N 2.82Å; D39-K41 VanDerWaalsContact OD1-CA 3.31Å; D39-K41 WeakPolarHBondContact OD1-CA 3.43Å; D39-K41 WeakPolarHBondContact OD1-CB 3.43Å; D39-K41 PolarHBondContact OD1-N 3.03Å; D39-T42 PolarHBondContact N-O 2.94Å; D39-T42 PolarHBondContact OD1-N 3.11Å; D39-T42 WeakPolarHBondContact OD2-CB 3.39Å; D39-T42 WeakPolarHBondContact OD2-CG2 3.37Å; D39-T42 PolarHBondContact OD2-OG1 2.64Å
40	E	93.9	Very high	86.9	Confident	123 Å²	123	71.4 Å²	71.4	58%	0.575	36%	0.36	S	S	*	.	S	Bend	trans	-61.1	-5.6	178.8	-75.4	-152.2	114.7	0	0	115.4	C62 V63 K76	E40-C62 CarbonylContact O-C 3.59Å; E40-C62 VanDerWaalsContact O-CA 3.24Å; E40-C62 WeakPolarHBondContact O-CA 3.47Å; E40-C62 PolarHBondContact O-SG 3.5Å; E40-V63 PolarHBondContact O-N 2.94Å; E40-K76 IonicContact OE1-NZ 2.8Å; E40-K76 PolarHBondContact OE1-NZ 3.08Å
41	K	94.6	Very high	86.1	Confident	122 Å²	122	65.5 Å²	65.5	53%	0.53	36%	0.355	S	S	.	.	S	Bend	trans	-134.4	-21.3	-176.5	-65	178.5	-176.8	170.9	0	113.5	D39 S59 F60 V63	D39-K41 PolarHBondContact O-N 2.82Å; D39-K41 VanDerWaalsContact OD1-CA 3.31Å; D39-K41 WeakPolarHBondContact OD1-CA 3.43Å; D39-K41 WeakPolarHBondContact OD1-CB 3.43Å; D39-K41 PolarHBondContact OD1-N 3.03Å; K41-S59 CarbonylContact O-C 3.53Å; K41-S59 WeakPolarHBondContact O-CA 3.03Å; K41-F60 PolarHBondContact O-N 2.94Å; K41-V63 VanDerWaalsContact C-CG2 3.43Å; K41-V63 WeakPolarHBondContact O-CG2 3.36Å
42	T	94.7	Very high	85.3	Confident	33 Å²	33	66.9 Å²	66.9	20%	0.202	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	142.9	-177.1	84.4	0	0	0	0	114.7	C38 D39 H58	C38-T42 PolarHBondContact N-O 3.44Å; D39-T42 PolarHBondContact N-O 2.94Å; D39-T42 PolarHBondContact OD1-N 3.11Å; D39-T42 WeakPolarHBondContact OD2-CB 3.39Å; D39-T42 WeakPolarHBondContact OD2-CG2 3.37Å; D39-T42 PolarHBondContact OD2-OG1 2.64Å; T42-H58 WeakPolarHBondContact CA-O 3.47Å
43	I	94.8	Very high	85	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	154.2	168.5	67.6	179.2	0	0	0	109.6	I35 E36 V37 S57 H58 F60 V63 I404 L418	I35-I43 HydrophobicContact CG2-CB 4.4Å; I35-I43 HydrophobicContact CG2-CD1 4.21Å; E36-I43 CarbonylContact O-C 3.52Å; E36-I43 VanDerWaalsContact O-CA 3.24Å; E36-I43 WeakPolarHBondContact O-CA 3.43Å; E36-I43 WeakPolarHBondContact O-CB 3.46Å; V37-I43 HydrophobicContact CB-CG2 4.5Å; V37-I43 HydrophobicContact CG2-CG2 4.1Å; I43-S57 CarbonylContact O-C 3.6Å; I43-S57 WeakPolarHBondContact O-CA 3.34Å; I43-H58 HydrophobicContact CG1-CB 3.99Å; I43-H58 PolarHBondContact N-O 2.93Å; I43-H58 PolarHBondContact O-N 3.27Å; I43-F60 HydrophobicContact CD1-CE2 4.06Å; I43-F60 HydrophobicContact CG1-CE2 4.14Å; I43-V63 HydrophobicContact CG2-CB 4.38Å; I43-V63 HydrophobicContact CG2-CG1 3.6Å; I43-V63 HydrophobicContact CG2-CG2 3.85Å; I43-I404 HydrophobicContact CD1-CD1 3.66Å; I43-L418 HydrophobicContact CD1-CD1 4.11Å; I43-L418 HydrophobicContact CD1-CD2 3.79Å
44	K	93.3	Very high	84.5	Confident	56 Å²	56	71.5 Å²	71.5	24%	0.243	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	138.9	162.7	-63.7	166.4	-159.4	151.5	0	109.7	I35 E36 C38 T56	I35-K44 WeakPolarHBondContact CA-O 3.45Å; E36-K44 HydrophobicContact CB-CB 4.32Å; E36-K44 PolarHBondContact N-O 3.21Å; E36-K44 PolarHBondContact O-N 3.45Å; E36-K44 IonicContact OE1-NZ 3.52Å; E36-K44 PolarHBondContact OE1-NZ 2.89Å; E36-K44 IonicContact OE2-NZ 3.15Å; C38-K44 WeakPolarHBondContact SG-CE 3.3Å; K44-T56 WeakPolarHBondContact CA-O 3.28Å
45	S	91.9	Very high	84.4	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	130.7	161.8	66.1	0	0	0	0	109.7	C34 E55 T56 M415	C34-S45 CarbonylContact O-C 3.47Å; C34-S45 WeakPolarHBondContact O-CA 3.39Å; S45-E55 CarbonylContact O-C 3.46Å; S45-E55 WeakPolarHBondContact O-CA 3.45Å; S45-T56 PolarHBondContact N-O 3.15Å; S45-T56 PolarHBondContact O-N 3.35Å; S45-T56 PolarHBondContact OG-O 3.33Å; S45-M415 WeakPolarHBondContact CB-SD 3.46Å; S45-M415 PolarHBondContact OG-SD 3.04Å
46	V	88.2	Confident	84.3	Confident	11 Å²	11	77 Å²	77	7%	0.067	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	106.8	-179.2	-173.4	0	0	0	0	109.4	C34 R53 E55	C34-V46 PolarHBondContact O-N 3.5Å; V46-R53 HydrophobicContact CG1-CG 3.91Å; V46-E55 HydrophobicContact CG2-CG 4.44Å
47	G	81.9	Confident	84.3	Confident	1 Å²	1	77.3 Å²	77.3	1%	0.01	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.3	-178.8	0	0	0	0	0	113	K54	G47-K54 PolarHBondContact N-O 3.35Å; G47-K54 PolarHBondContact O-N 3.28Å
48	H	72.1	Confident	84.3	Confident	128 Å²	128	74.9 Å²	74.9	59%	0.593	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	101.7	170.1	-70.6	-92.3	0	0	0	110.1
49	R	65.4	Low	84.3	Confident	153 Å²	153	75.6 Å²	75.6	58%	0.577	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.5	122.4	175.7	-82.1	173.5	160.6	-118.4	10.2	109.7	G51 N52 E412	R49-G51 PolarHBondContact O-N 3.09Å; R49-N52 PolarHBondContact O-N 3.39Å; R49-E412 IonicContact CZ-OE1 3.19Å; R49-E412 IonicContact CZ-OE2 2.7Å; R49-E412 IonicContact NE-OE1 2.76Å; R49-E412 PolarHBondContact NE-OE1 2.94Å; R49-E412 IonicContact NH2-OE1 2.81Å; R49-E412 PolarHBondContact NH2-OE1 3.08Å; R49-E412 IonicContact NH2-OE2 2.75Å; R49-E412 PolarHBondContact NH2-OE2 3.08Å
50	S	58.4	Low	84.3	Confident	129 Å²	129	72.3 Å²	72.3	90%	0.902	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	45.7	176.9	-53.7	0	0	0	0	114.4	N52	S50-N52 PolarHBondContact O-N 3.4Å; S50-N52 VanDerWaalsContact O-N 3.1Å
51	G	62.5	Low	84.3	Confident	81 Å²	81	69.1 Å²	69.1	84%	0.835	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	-26.8	176.8	0	0	0	0	0	115.6	R49	R49-G51 PolarHBondContact O-N 3.09Å
52	N	67.9	Low	84.3	Confident	131 Å²	131	64 Å²	64	70%	0.701	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	125.6	178.8	-72.6	-20.3	0	0	0	111.6	R49 S50 K54	R49-N52 PolarHBondContact O-N 3.39Å; S50-N52 PolarHBondContact O-N 3.4Å; S50-N52 VanDerWaalsContact O-N 3.1Å; N52-K54 PolarHBondContact O-N 3.01Å
53	R	78.1	Confident	84.4	Confident	139 Å²	139	62.5 Å²	62.5	53%	0.525	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	111.5	167.7	175	173.6	165.7	137.8	-3	108.4	V46 E55	V46-R53 HydrophobicContact CG1-CG 3.91Å; R53-E55 HydrophobicContact CG-CG 4.4Å; R53-E55 IonicContact CZ-OE1 3.14Å; R53-E55 IonicContact NE-OE1 3.43Å; R53-E55 PolarHBondContact NE-OE1 3.5Å; R53-E55 IonicContact NH2-OE1 3.6Å; R53-E55 PolarHBondContact NH2-OE1 2.91Å
54	K	81.7	Confident	84.5	Confident	133 Å²	133	62.5 Å²	62.5	58%	0.578	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	118.7	172.2	179.4	168.5	-179.1	166.7	0	110.2	G47 N52	G47-K54 PolarHBondContact N-O 3.35Å; G47-K54 PolarHBondContact O-N 3.28Å; N52-K54 PolarHBondContact O-N 3.01Å
55	E	87.6	Confident	84.6	Confident	83 Å²	83	61.9 Å²	61.9	39%	0.388	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	154	170.3	-59.3	-174.7	-173.4	0	0	110.7	S45 V46 R53	S45-E55 CarbonylContact O-C 3.46Å; S45-E55 WeakPolarHBondContact O-CA 3.45Å; V46-E55 HydrophobicContact CG2-CG 4.44Å; R53-E55 HydrophobicContact CG-CG 4.4Å; R53-E55 IonicContact CZ-OE1 3.14Å; R53-E55 IonicContact NE-OE1 3.43Å; R53-E55 PolarHBondContact NE-OE1 3.5Å; R53-E55 IonicContact NH2-OE1 3.6Å; R53-E55 PolarHBondContact NH2-OE1 2.91Å
56	T	90.7	Very high	84.7	Confident	43 Å²	43	64 Å²	64	26%	0.264	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	122.1	167.8	-62.2	0	0	0	0	108	K44 S45 M415	K44-T56 WeakPolarHBondContact CA-O 3.28Å; S45-T56 PolarHBondContact N-O 3.15Å; S45-T56 PolarHBondContact O-N 3.35Å; S45-T56 PolarHBondContact OG-O 3.33Å; T56-M415 HydrophobicContact CG2-CE 4.48Å
57	S	92.3	Very high	84.9	Confident	77 Å²	77	70 Å²	70	54%	0.538	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	142.3	176	-51.5	0	0	0	0	110.6	I43	I43-S57 CarbonylContact O-C 3.6Å; I43-S57 WeakPolarHBondContact O-CA 3.34Å
58	H	93.4	Very high	85.6	Confident	2 Å²	2	70.4 Å²	70.4	1%	0.009	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	133.5	-179.1	-68	-61.9	0	0	0	109.8	T42 I43 F60 M415 E422	T42-H58 WeakPolarHBondContact CA-O 3.47Å; I43-H58 HydrophobicContact CG1-CB 3.99Å; I43-H58 PolarHBondContact N-O 2.93Å; I43-H58 PolarHBondContact O-N 3.27Å; H58-F60 HydrophobicContact CB-CE2 3.78Å; H58-F60 HydrophobicContact CB-CZ 4.14Å; H58-M415 VanDerWaalsContact NE2-CE 3.29Å; H58-M415 WeakPolarHBondContact NE2-CE 3.29Å; H58-E422 WeakPolarHBondContact CA-OE1 3.48Å; H58-E422 IonicContact CE1-OE1 2.65Å; H58-E422 IonicContact CE1-OE2 3.65Å; H58-E422 PolarHBondContact CE1-OE2 3.45Å; H58-E422 IonicContact CG-OE1 3.3Å; H58-E422 IonicContact ND1-OE1 2.68Å; H58-E422 PolarHBondContact ND1-OE1 3.5Å; H58-E422 IonicContact ND1-OE2 2.64Å; H58-E422 PolarHBondContact ND1-OE2 3.35Å
59	S	92.8	Very high	86.7	Confident	66 Å²	66	65.4 Å²	65.4	46%	0.462	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	146.8	-174.9	-58.9	0	0	0	0	112.4	K41 Q425	K41-S59 CarbonylContact O-C 3.53Å; K41-S59 WeakPolarHBondContact O-CA 3.03Å; S59-Q425 PolarHBondContact O-NE2 3.27Å; S59-Q425 PolarHBondContact O-OE1 2.81Å
60	F	94	Very high	88.2	Confident	8 Å²	8	58.1 Å²	58.1	4%	0.035	35%	0.348	C	S	.	.			trans	-141.5	166.2	-174.1	-64.5	-72.3	0	0	0	112.4	V20 C22 K41 I43 H58 C62 V63 L418 A421 E422 Q425	V20-F60 HydrophobicContact CG1-CD1 4.14Å; V20-F60 HydrophobicContact CG1-CE1 4.46Å; C22-F60 HydrophobicContact CB-CB 4.3Å; C22-F60 HydrophobicContact CB-CD1 4.03Å; C22-F60 HydrophobicContact CB-CD2 3.57Å; C22-F60 HydrophobicContact CB-CE1 4.36Å; C22-F60 HydrophobicContact CB-CE2 3.91Å; C22-F60 HydrophobicContact CB-CG 3.65Å; C22-F60 HydrophobicContact CB-CZ 4.31Å; K41-F60 PolarHBondContact O-N 2.94Å; I43-F60 HydrophobicContact CD1-CE2 4.06Å; I43-F60 HydrophobicContact CG1-CE2 4.14Å; H58-F60 HydrophobicContact CB-CE2 3.78Å; H58-F60 HydrophobicContact CB-CZ 4.14Å; F60-C62 VanDerWaalsContact C-N 3.31Å; F60-C62 PolarHBondContact O-N 3.41Å; F60-V63 HydrophobicContact CB-CG2 4.23Å; F60-V63 HydrophobicContact CD2-CG2 3.99Å; F60-L418 HydrophobicContact CE2-CD2 4.05Å; F60-L418 HydrophobicContact CZ-CD2 3.66Å; F60-A421 HydrophobicContact CE1-CB 3.7Å; F60-A421 HydrophobicContact CZ-CB 4.42Å; F60-E422 HydrophobicContact CZ-CG 4.47Å; F60-Q425 VanDerWaalsContact CD1-NE2 3.31Å
61	T	93.4	Very high	89.9	Confident	55 Å²	55	55.9 Å²	55.9	34%	0.337	33%	0.325	S	S	.	.	S	Bend	trans	-60.5	-43.3	172.6	-53.4	0	0	0	0	110.7	E19 V20 F21	E19-T61 HydrophobicContact CB-CG2 4.34Å; E19-T61 HydrophobicContact CG-CG2 4.41Å; V20-T61 PolarHBondContact N-OG1 3.34Å; V20-T61 VanDerWaalsContact O-CB 3.3Å; V20-T61 WeakPolarHBondContact O-CB 3.46Å; V20-T61 PolarHBondContact O-N 3Å; V20-T61 PolarHBondContact O-OG1 3.38Å; F21-T61 HydrophobicContact CE1-CG2 4.31Å; F21-T61 HydrophobicContact CZ-CG2 4.27Å
62	C	95	Very high	91.6	Very high	14 Å²	14	54 Å²	54	10%	0.095	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	147.9	162.5	-178.4	0	0	0	0	110.3	F21 C22 E40 F60	F21-C62 WeakPolarHBondContact CA-O 3.43Å; F21-C62 HydrophobicContact CD1-CB 3.94Å; F21-C62 HydrophobicContact CE1-CB 4.25Å; C22-C62 PolarHBondContact N-O 3.16Å; E40-C62 CarbonylContact O-C 3.59Å; E40-C62 VanDerWaalsContact O-CA 3.24Å; E40-C62 WeakPolarHBondContact O-CA 3.47Å; E40-C62 PolarHBondContact O-SG 3.5Å; F60-C62 VanDerWaalsContact C-N 3.31Å; F60-C62 PolarHBondContact O-N 3.41Å
63	V	96.9	Very high	93	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.2	170.2	177.6	0	0	0	0	108.6	C22 V24 V37 E40 K41 I43 F60	C22-V63 HydrophobicContact CB-CG2 4.37Å; C22-V63 CarbonylContact O-C 3.42Å; C22-V63 WeakPolarHBondContact O-CA 3.49Å; V24-V63 HydrophobicContact CG2-CG1 4.37Å; V37-V63 HydrophobicContact CG1-CG1 3.96Å; V37-V63 HydrophobicContact CG2-CG1 4.27Å; E40-V63 PolarHBondContact O-N 2.94Å; K41-V63 VanDerWaalsContact C-CG2 3.43Å; K41-V63 WeakPolarHBondContact O-CG2 3.36Å; I43-V63 HydrophobicContact CG2-CB 4.38Å; I43-V63 HydrophobicContact CG2-CG1 3.6Å; I43-V63 HydrophobicContact CG2-CG2 3.85Å; F60-V63 HydrophobicContact CB-CG2 4.23Å; F60-V63 HydrophobicContact CD2-CG2 3.99Å
64	L	97.2	Very high	93.9	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	109.9	173.7	-66.6	156.5	0	0	0	107.1	C22 R23 V24 A68 V72 V73 K76 V77 L401	C22-L64 PolarHBondContact O-N 3.02Å; R23-L64 HydrophobicContact CB-CB 4.15Å; R23-L64 HydrophobicContact CB-CD1 4.3Å; R23-L64 HydrophobicContact CG-CB 4.03Å; V24-L64 PolarHBondContact N-O 3.19Å; L64-A68 HydrophobicContact CB-CB 4.02Å; L64-A68 HydrophobicContact CD2-CB 4.24Å; L64-V72 HydrophobicContact CD2-CG1 3.96Å; L64-V73 HydrophobicContact CD1-CB 4.45Å; L64-V73 HydrophobicContact CD1-CG1 4.39Å; L64-V73 HydrophobicContact CD1-CG2 4.04Å; L64-V73 HydrophobicContact CD2-CG2 4.44Å; L64-K76 HydrophobicContact CD2-CB 4.49Å; L64-K76 HydrophobicContact CD2-CD 4.06Å; L64-V77 HydrophobicContact CD1-CG2 3.8Å; L64-L401 HydrophobicContact CD1-CD1 3.97Å
65	P	95.2	Very high	94.6	Very high	43 Å²	43	40.9 Å²	40.9	28%	0.279	24%	0.24	S	C	.	.			trans	-69.7	171.5	-176.2	31.6	-38.3	0	0	0	112.1	D67 A68	P65-D67 VanDerWaalsContact CB-OD1 3.28Å; P65-D67 WeakPolarHBondContact CB-OD1 3.39Å; P65-D67 VanDerWaalsContact CG-OD1 3.3Å; P65-D67 WeakPolarHBondContact CG-OD1 3.45Å; P65-D67 PolarHBondContact O-N 3.41Å; P65-D67 VanDerWaalsContact O-N 3.14Å; P65-A68 HydrophobicContact CG-CB 4.48Å; P65-A68 VanDerWaalsContact O-CB 3.23Å; P65-A68 WeakPolarHBondContact O-CB 3.41Å; P65-A68 PolarHBondContact O-N 2.93Å
66	P	93.7	Very high	95	Very high	44 Å²	44	40.2 Å²	40.2	29%	0.286	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-29.4	-173.6	-26.5	36	0	0	0	115.3	V24 P26 A68	V24-P66 HydrophobicContact CB-CG 4.09Å; V24-P66 HydrophobicContact CG1-CG 3.96Å; V24-P66 WeakPolarHBondContact O-CA 3.49Å; P26-P66 WeakPolarHBondContact CG-O 3.39Å; P66-A68 VanDerWaalsContact C-N 3.35Å
67	D	93.6	Very high	95.3	Very high	137 Å²	137	38.2 Å²	38.2	73%	0.733	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-6.5	178.2	56.5	-53.6	0	0	0	114.2	P65 G69	P65-D67 VanDerWaalsContact CB-OD1 3.28Å; P65-D67 WeakPolarHBondContact CB-OD1 3.39Å; P65-D67 VanDerWaalsContact CG-OD1 3.3Å; P65-D67 WeakPolarHBondContact CG-OD1 3.45Å; P65-D67 PolarHBondContact O-N 3.41Å; P65-D67 VanDerWaalsContact O-N 3.14Å; D67-G69 PolarHBondContact O-N 3.14Å; D67-G69 VanDerWaalsContact O-N 3.13Å
68	A	95.4	Very high	95.6	Very high	10 Å²	10	34.6 Å²	34.6	8%	0.083	20%	0.199	C	C	.	.			trans	-69.5	109.2	-177.8	0	0	0	0	0	113.1	R23 L64 P65 P66	R23-A68 PolarHBondContact NH2-O 3.25Å; L64-A68 HydrophobicContact CB-CB 4.02Å; L64-A68 HydrophobicContact CD2-CB 4.24Å; P65-A68 HydrophobicContact CG-CB 4.48Å; P65-A68 VanDerWaalsContact O-CB 3.23Å; P65-A68 WeakPolarHBondContact O-CB 3.41Å; P65-A68 PolarHBondContact O-N 2.93Å; P66-A68 VanDerWaalsContact C-N 3.35Å
69	G	95.3	Very high	95.7	Very high	22 Å²	22	37.2 Å²	37.2	23%	0.227	21%	0.21	C	C	.	.			trans	-62.6	168.2	172.6	0	0	0	0	0	114.2	D67 D71 V72 V73	D67-G69 PolarHBondContact O-N 3.14Å; D67-G69 VanDerWaalsContact O-N 3.13Å; G69-D71 VanDerWaalsContact C-N 3.26Å; G69-D71 VanDerWaalsContact CA-OD1 3.31Å; G69-D71 WeakPolarHBondContact CA-OD1 3.31Å; G69-D71 PolarHBondContact O-N 3.23Å; G69-V72 PolarHBondContact O-N 2.77Å; G69-V73 WeakPolarHBondContact O-CG2 3.46Å; G69-V73 PolarHBondContact O-N 3.47Å; G69-V73 VanDerWaalsContact O-N 3.12Å
70	Q	96.7	Very high	95.8	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-71	-24.6	-177	-54.7	-94	77.6	0	0	113	F74 Y105 G109 D113 P114 G115	Q70-F74 WeakPolarHBondContact O-CB 3.29Å; Q70-F74 PolarHBondContact O-N 3.1Å; Q70-Y105 HydrophobicContact CG-CE1 3.82Å; Q70-Y105 PolarHBondContact NE2-O 3.47Å; Q70-G109 VanDerWaalsContact NE2-CA 3.25Å; Q70-D113 VanDerWaalsContact CB-OD1 3.28Å; Q70-D113 WeakPolarHBondContact CB-OD1 3.47Å; Q70-D113 HydrophobicContact CG-CB 4.41Å; Q70-D113 WeakPolarHBondContact CG-OD1 3.37Å; Q70-D113 WeakPolarHBondContact CG-OD2 3.46Å; Q70-D113 PolarHBondContact NE2-O 3.05Å; Q70-P114 WeakPolarHBondContact CB-O 3.29Å; Q70-P114 WeakPolarHBondContact CG-O 3.39Å; Q70-P114 PolarHBondContact NE2-O 3.47Å; Q70-G115 VanDerWaalsContact NE2-CA 3.28Å
71	D	95.3	Very high	95.9	Very high	81 Å²	81	35.6 Å²	35.6	43%	0.433	20%	0.199	S	C	.	.	H	α-helix	trans	-60.2	-52	169.7	61.5	-46.8	0	0	0	111	G69 V73 F74 Q75	G69-D71 VanDerWaalsContact C-N 3.26Å; G69-D71 VanDerWaalsContact CA-OD1 3.31Å; G69-D71 WeakPolarHBondContact CA-OD1 3.31Å; G69-D71 PolarHBondContact O-N 3.23Å; D71-V73 VanDerWaalsContact C-N 3.31Å; D71-V73 PolarHBondContact O-N 3.31Å; D71-F74 PolarHBondContact O-N 3.39Å; D71-Q75 WeakPolarHBondContact O-CB 3.36Å; D71-Q75 PolarHBondContact O-N 3.36Å
72	V	96.5	Very high	96.1	Very high	43 Å²	43	33 Å²	33	26%	0.261	18%	0.183	S	C	.	.	H	α-helix	trans	-63.6	-39.8	177.4	-176	0	0	0	0	110.7	L64 G69 K76	L64-V72 HydrophobicContact CD2-CG1 3.96Å; G69-V72 PolarHBondContact O-N 2.77Å; V72-K76 HydrophobicContact CG1-CD 4.27Å; V72-K76 HydrophobicContact CG1-CG 4.49Å; V72-K76 WeakPolarHBondContact O-CB 3.49Å; V72-K76 PolarHBondContact O-N 2.99Å
73	V	97.5	Very high	96.1	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.1	-47.1	174.9	176.2	0	0	0	0	110.7	R23 L64 G69 D71 V77 I116 L401	R23-V73 VanDerWaalsContact CZ-CG2 3.44Å; L64-V73 HydrophobicContact CD1-CB 4.45Å; L64-V73 HydrophobicContact CD1-CG1 4.39Å; L64-V73 HydrophobicContact CD1-CG2 4.04Å; L64-V73 HydrophobicContact CD2-CG2 4.44Å; G69-V73 WeakPolarHBondContact O-CG2 3.46Å; G69-V73 PolarHBondContact O-N 3.47Å; G69-V73 VanDerWaalsContact O-N 3.12Å; D71-V73 VanDerWaalsContact C-N 3.31Å; D71-V73 PolarHBondContact O-N 3.31Å; V73-V77 HydrophobicContact CG1-CG2 4.35Å; V73-V77 WeakPolarHBondContact O-CB 3.37Å; V73-V77 WeakPolarHBondContact O-CG2 3.35Å; V73-V77 PolarHBondContact O-N 3.31Å; V73-I116 HydrophobicContact CG1-CD1 4.06Å; V73-I116 HydrophobicContact CG1-CG1 4.29Å; V73-L401 HydrophobicContact CG1-CD2 3.72Å
74	F	97.9	Very high	95.9	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	19%	0.192	C	C	.	.	I	π-helix	trans	-62.8	-49.1	178.6	174.8	-108.8	0	0	0	111.2	Q70 D71 A78 F79 V82 R119 V123 E185	Q70-F74 WeakPolarHBondContact O-CB 3.29Å; Q70-F74 PolarHBondContact O-N 3.1Å; D71-F74 PolarHBondContact O-N 3.39Å; F74-A78 HydrophobicContact CD2-CB 3.64Å; F74-A78 HydrophobicContact CE2-CB 3.98Å; F74-A78 PolarHBondContact O-N 3.01Å; F74-F79 HydrophobicContact CE1-CB 4.28Å; F74-F79 HydrophobicContact CE1-CD2 4.22Å; F74-F79 HydrophobicContact CZ-CB 4.38Å; F74-F79 HydrophobicContact CZ-CD2 4.34Å; F74-F79 PolarHBondContact O-N 3.25Å; F74-V82 HydrophobicContact CE2-CG2 4.44Å; F74-R119 HydrophobicContact CB-CB 4.35Å; F74-R119 HydrophobicContact CD1-CB 3.95Å; F74-R119 HydrophobicContact CD2-CB 3.55Å; F74-R119 HydrophobicContact CE1-CB 4.12Å; F74-R119 HydrophobicContact CE2-CB 3.77Å; F74-R119 HydrophobicContact CG-CB 3.67Å; F74-R119 HydrophobicContact CG-CG 4.4Å; F74-R119 HydrophobicContact CZ-CB 4.04Å; F74-R119 WeakPolarHBondContact CZ-O 3.14Å; F74-V123 HydrophobicContact CE1-CG2 3.78Å; F74-V123 HydrophobicContact CZ-CB 4.23Å; F74-V123 HydrophobicContact CZ-CG2 3.64Å; F74-E185 HydrophobicContact CD1-CG 4.41Å; F74-E185 HydrophobicContact CE1-CG 4.08Å
75	Q	96.8	Very high	95.8	Very high	124 Å²	124	34.6 Å²	34.6	58%	0.579	19%	0.192	S	C	*	.	I	π-helix	trans	-62.5	-45.9	-178.9	-167.9	-172.6	40.5	0	0	112.6	D71	D71-Q75 WeakPolarHBondContact O-CB 3.36Å; D71-Q75 PolarHBondContact O-N 3.36Å
76	K	96.1	Very high	95.8	Very high	69 Å²	69	32.6 Å²	32.6	30%	0.3	18%	0.179	S	C	.	.	I	π-helix	trans	-77.5	-31.9	-179.4	-71.7	-168.5	170.9	-172.5	0	113.7	F21 E40 L64 V72	F21-K76 VanDerWaalsContact CE1-O 3.24Å; F21-K76 WeakPolarHBondContact CE1-O 3.34Å; F21-K76 WeakPolarHBondContact CZ-O 3.27Å; E40-K76 IonicContact OE1-NZ 2.8Å; E40-K76 PolarHBondContact OE1-NZ 3.08Å; L64-K76 HydrophobicContact CD2-CB 4.49Å; L64-K76 HydrophobicContact CD2-CD 4.06Å; V72-K76 HydrophobicContact CG1-CD 4.27Å; V72-K76 HydrophobicContact CG1-CG 4.49Å; V72-K76 WeakPolarHBondContact O-CB 3.49Å; V72-K76 PolarHBondContact O-N 2.99Å
77	V	96.9	Very high	95.7	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	19%	0.185	C	C	.	.	I	π-helix	trans	-106.9	-47.5	-169.4	-172.5	0	0	0	0	113.7	F21 L64 V73 L93 L401	F21-V77 HydrophobicContact CB-CG2 3.99Å; F21-V77 HydrophobicContact CD1-CG2 3.77Å; F21-V77 HydrophobicContact CD2-CB 4.39Å; F21-V77 HydrophobicContact CD2-CG1 3.74Å; F21-V77 HydrophobicContact CD2-CG2 4.22Å; F21-V77 HydrophobicContact CE1-CG2 4.26Å; F21-V77 HydrophobicContact CE2-CG1 4.04Å; F21-V77 HydrophobicContact CG-CB 4.4Å; F21-V77 HydrophobicContact CG-CG1 4.11Å; F21-V77 HydrophobicContact CG-CG2 3.74Å; L64-V77 HydrophobicContact CD1-CG2 3.8Å; V73-V77 HydrophobicContact CG1-CG2 4.35Å; V73-V77 WeakPolarHBondContact O-CB 3.37Å; V73-V77 WeakPolarHBondContact O-CG2 3.35Å; V73-V77 PolarHBondContact O-N 3.31Å; V77-L93 HydrophobicContact CG1-CD1 4.04Å; V77-L401 HydrophobicContact CG1-CB 4.34Å; V77-L401 HydrophobicContact CG2-CD1 4.19Å
78	A	97.4	Very high	95.6	Very high	2 Å²	2	28.5 Å²	28.5	2%	0.017	15%	0.153	C	C	.	.	I	π-helix	trans	-101.4	-40	-166.2	0	0	0	0	0	113.3	F74 P80 V81 V82 L93 I116	F74-A78 HydrophobicContact CD2-CB 3.64Å; F74-A78 HydrophobicContact CE2-CB 3.98Å; F74-A78 PolarHBondContact O-N 3.01Å; A78-P80 VanDerWaalsContact C-CD 3.44Å; A78-P80 VanDerWaalsContact C-N 3.34Å; A78-V81 WeakPolarHBondContact O-CA 3.37Å; A78-V81 WeakPolarHBondContact O-CB 3.41Å; A78-V81 PolarHBondContact O-N 3.04Å; A78-V82 WeakPolarHBondContact O-CG2 3.43Å; A78-V82 PolarHBondContact O-N 2.67Å; A78-L93 HydrophobicContact CB-CD1 3.76Å; A78-I116 HydrophobicContact CB-CB 4.38Å; A78-I116 HydrophobicContact CB-CD1 4.49Å; A78-I116 HydrophobicContact CB-CG1 4.05Å; A78-I116 HydrophobicContact CB-CG2 3.65Å
79	F	96.9	Very high	95.4	Very high	56 Å²	56	31.9 Å²	31.9	25%	0.246	17%	0.165	C	C	.	.	H	α-helix	trans	-53.9	-38.6	-179.2	-178.4	-103.6	0	0	0	114.2	F74 V81 V82 T83 V123 I187 V189	F74-F79 HydrophobicContact CE1-CB 4.28Å; F74-F79 HydrophobicContact CE1-CD2 4.22Å; F74-F79 HydrophobicContact CZ-CB 4.38Å; F74-F79 HydrophobicContact CZ-CD2 4.34Å; F74-F79 PolarHBondContact O-N 3.25Å; F79-V81 VanDerWaalsContact C-N 3.31Å; F79-V81 PolarHBondContact O-N 3.1Å; F79-V82 PolarHBondContact O-N 3.43Å; F79-T83 VanDerWaalsContact O-CB 3.3Å; F79-T83 WeakPolarHBondContact O-CB 3.39Å; F79-T83 PolarHBondContact O-N 3.3Å; F79-T83 PolarHBondContact O-OG1 3.33Å; F79-V123 HydrophobicContact CD2-CG1 4.36Å; F79-V123 HydrophobicContact CE2-CG1 4.13Å; F79-I187 HydrophobicContact CD2-CG2 4.49Å; F79-I187 HydrophobicContact CE2-CG2 3.62Å; F79-I187 HydrophobicContact CZ-CG2 4.1Å; F79-V189 HydrophobicContact CE2-CG2 3.7Å; F79-V189 HydrophobicContact CZ-CG2 3.9Å
80	P	94.9	Very high	95.3	Very high	39 Å²	39	31.5 Å²	31.5	25%	0.253	16%	0.158	S	C	.	.	H	α-helix	trans	-63.9	-32.9	173	-22.8	35	0	0	0	113.7	A78 D84	A78-P80 VanDerWaalsContact C-CD 3.44Å; A78-P80 VanDerWaalsContact C-N 3.34Å; P80-D84 PolarHBondContact O-N 3.49Å
81	V	95.2	Very high	95.1	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-76.4	-41.3	178.2	-166.2	0	0	0	0	110.7	A78 F79 D84 F85 L312 A399	A78-V81 WeakPolarHBondContact O-CA 3.37Å; A78-V81 WeakPolarHBondContact O-CB 3.41Å; A78-V81 PolarHBondContact O-N 3.04Å; F79-V81 VanDerWaalsContact C-N 3.31Å; F79-V81 PolarHBondContact O-N 3.1Å; V81-D84 PolarHBondContact O-N 3.09Å; V81-F85 WeakPolarHBondContact O-CB 3.45Å; V81-F85 PolarHBondContact O-N 2.98Å; V81-L312 HydrophobicContact CG1-CD1 3.78Å; V81-A399 HydrophobicContact CG2-CB 4.14Å
82	V	97	Very high	95.1	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-63.6	-41.1	174.4	176	0	0	0	0	111.2	F74 A78 F79 F85 L86 S120 V123 I124 L312	F74-V82 HydrophobicContact CE2-CG2 4.44Å; A78-V82 WeakPolarHBondContact O-CG2 3.43Å; A78-V82 PolarHBondContact O-N 2.67Å; F79-V82 PolarHBondContact O-N 3.43Å; V82-F85 WeakPolarHBondContact O-CB 3.48Å; V82-F85 PolarHBondContact O-N 2.93Å; V82-L86 HydrophobicContact CG1-CD1 4.18Å; V82-L86 WeakPolarHBondContact O-CG 3.47Å; V82-L86 PolarHBondContact O-N 2.92Å; V82-S120 WeakPolarHBondContact CG2-OG 3.33Å; V82-V123 HydrophobicContact CG1-CB 4.34Å; V82-V123 HydrophobicContact CG1-CG1 3.96Å; V82-I124 HydrophobicContact CG1-CD1 4.49Å; V82-I124 HydrophobicContact CG1-CG1 3.91Å; V82-L312 HydrophobicContact CG2-CD2 3.92Å
83	T	95.6	Very high	95.2	Very high	35 Å²	35	25.6 Å²	25.6	22%	0.215	13%	0.126	C	C	.	.	H	α-helix	trans	-61.3	-47.1	175.6	-62.2	0	0	0	0	111.4	F79 F85 L86 H87 V189	F79-T83 VanDerWaalsContact O-CB 3.3Å; F79-T83 WeakPolarHBondContact O-CB 3.39Å; F79-T83 PolarHBondContact O-N 3.3Å; F79-T83 PolarHBondContact O-OG1 3.33Å; T83-F85 VanDerWaalsContact C-N 3.31Å; T83-F85 PolarHBondContact O-N 3.45Å; T83-L86 PolarHBondContact O-N 3.28Å; T83-H87 PolarHBondContact O-N 3.08Å; T83-H87 PolarHBondContact O-ND1 3.28Å; T83-V189 HydrophobicContact CG2-CG1 4.11Å
84	D	92.8	Very high	95	Very high	16 Å²	16	26 Å²	26	9%	0.086	13%	0.127	C	C	.	.	H	α-helix	trans	-63.3	-36.4	175.5	-89	-29.9	0	0	0	112.6	P80 V81 H87 G88 K89 R397	P80-D84 PolarHBondContact O-N 3.49Å; V81-D84 PolarHBondContact O-N 3.09Å; D84-H87 CarbonylContact O-C 3.59Å; D84-H87 PolarHBondContact O-N 2.98Å; D84-G88 PolarHBondContact O-N 2.97Å; D84-K89 HydrophobicContact CB-CB 4.29Å; D84-K89 HydrophobicContact CB-CD 4.02Å; D84-K89 WeakPolarHBondContact O-CB 3.24Å; D84-K89 PolarHBondContact O-N 2.99Å; D84-K89 WeakPolarHBondContact OD1-CD 3.28Å; D84-K89 WeakPolarHBondContact OD1-CE 3.37Å; D84-K89 IonicContact OD1-NZ 3.75Å; D84-K89 PolarHBondContact OD1-NZ 3.34Å; D84-R397 VanDerWaalsContact OD2-CD 3.29Å; D84-R397 WeakPolarHBondContact OD2-CD 3.09Å; D84-R397 IonicContact OD2-CZ 3.27Å; D84-R397 IonicContact OD2-NE 3.98Å; D84-R397 IonicContact OD2-NH1 3.96Å; D84-R397 PolarHBondContact OD2-NH1 3.25Å
85	F	95.5	Very high	94.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.5	-44.4	176.9	166.2	-101.7	0	0	0	113.3	V81 V82 T83 H87 G88 K89 I124 I286 L288 S310 L312	V81-F85 WeakPolarHBondContact O-CB 3.45Å; V81-F85 PolarHBondContact O-N 2.98Å; V82-F85 WeakPolarHBondContact O-CB 3.48Å; V82-F85 PolarHBondContact O-N 2.93Å; T83-F85 VanDerWaalsContact C-N 3.31Å; T83-F85 PolarHBondContact O-N 3.45Å; F85-H87 PolarHBondContact O-N 3.44Å; F85-G88 PolarHBondContact O-N 3.47Å; F85-K89 WeakPolarHBondContact CA-O 3.25Å; F85-I124 HydrophobicContact CD1-CD1 3.97Å; F85-I124 HydrophobicContact CD1-CG1 4.15Å; F85-I124 HydrophobicContact CE1-CD1 3.54Å; F85-I124 HydrophobicContact CE1-CG1 3.91Å; F85-I124 HydrophobicContact CE1-CG2 4.48Å; F85-I124 HydrophobicContact CZ-CD1 4.49Å; F85-I286 HydrophobicContact CE1-CG2 4.41Å; F85-I286 HydrophobicContact CZ-CB 4.27Å; F85-I286 HydrophobicContact CZ-CG2 3.89Å; F85-L288 HydrophobicContact CE1-CB 3.91Å; F85-L288 HydrophobicContact CE1-CD2 4.3Å; F85-L288 HydrophobicContact CE2-CB 3.89Å; F85-L288 HydrophobicContact CZ-CB 3.41Å; F85-L288 VanDerWaalsContact CZ-CB 3.41Å; F85-S310 WeakPolarHBondContact CE2-O 3.48Å; F85-S310 WeakPolarHBondContact O-CB 3.44Å; F85-S310 PolarHBondContact O-OG 2.99Å; F85-L312 HydrophobicContact CB-CB 4.38Å; F85-L312 HydrophobicContact CD1-CB 4.23Å; F85-L312 HydrophobicContact CD1-CD2 4.32Å; F85-L312 HydrophobicContact CD2-CB 3.5Å; F85-L312 HydrophobicContact CE1-CB 4.36Å; F85-L312 HydrophobicContact CE2-CB 3.63Å; F85-L312 VanDerWaalsContact CE2-N 3.3Å; F85-L312 HydrophobicContact CG-CB 3.79Å; F85-L312 HydrophobicContact CG-CD2 4.44Å; F85-L312 HydrophobicContact CZ-CB 4.05Å
86	L	94.9	Very high	94.8	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-63.6	-28.3	173.6	-72.5	165.9	0	0	0	112.3	V82 T83 G88 I124 I128 V189 I191 L288	V82-L86 HydrophobicContact CG1-CD1 4.18Å; V82-L86 WeakPolarHBondContact O-CG 3.47Å; V82-L86 PolarHBondContact O-N 2.92Å; T83-L86 PolarHBondContact O-N 3.28Å; L86-G88 PolarHBondContact O-N 3.24Å; L86-I124 HydrophobicContact CD2-CG1 4.45Å; L86-I124 HydrophobicContact CD2-CG2 4.45Å; L86-I128 HydrophobicContact CD2-CG2 4.19Å; L86-V189 HydrophobicContact CD1-CB 3.91Å; L86-V189 HydrophobicContact CD1-CG1 4.39Å; L86-V189 HydrophobicContact CD1-CG2 4.16Å; L86-I191 HydrophobicContact CD2-CG2 4.38Å; L86-L288 HydrophobicContact CD2-CD2 4.08Å
87	H	92.3	Very high	94.7	Very high	88 Å²	88	16.8 Å²	16.8	41%	0.407	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	11.7	172.1	-72.4	78.8	0	0	0	114	T83 D84 F85 N190	T83-H87 PolarHBondContact O-N 3.08Å; T83-H87 PolarHBondContact O-ND1 3.28Å; D84-H87 CarbonylContact O-C 3.59Å; D84-H87 PolarHBondContact O-N 2.98Å; F85-H87 PolarHBondContact O-N 3.44Å; H87-N190 PolarHBondContact CE1-O 3.45Å
88	G	90.8	Very high	94.3	Very high	6 Å²	6	16.9 Å²	16.9	6%	0.062	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	15.1	173.5	0	0	0	0	0	115.4	D84 F85 L86	D84-G88 PolarHBondContact O-N 2.97Å; F85-G88 PolarHBondContact O-N 3.47Å; L86-G88 PolarHBondContact O-N 3.24Å
89	K	90.7	Very high	93.9	Very high	81 Å²	81	19.1 Å²	19.1	35%	0.352	10%	0.099	S	C	.	.			trans	-97.2	156.6	175.5	-52.2	173.1	-161.7	162	0	110.9	D84 F85 S310	D84-K89 HydrophobicContact CB-CB 4.29Å; D84-K89 HydrophobicContact CB-CD 4.02Å; D84-K89 WeakPolarHBondContact O-CB 3.24Å; D84-K89 PolarHBondContact O-N 2.99Å; D84-K89 WeakPolarHBondContact OD1-CD 3.28Å; D84-K89 WeakPolarHBondContact OD1-CE 3.37Å; D84-K89 IonicContact OD1-NZ 3.75Å; D84-K89 PolarHBondContact OD1-NZ 3.34Å; F85-K89 WeakPolarHBondContact CA-O 3.25Å; K89-S310 VanDerWaalsContact O-CB 3.28Å; K89-S310 WeakPolarHBondContact O-CB 3.45Å
90	N	92.9	Very high	93.4	Very high	15 Å²	15	18.7 Å²	18.7	8%	0.08	11%	0.111	C	C	.	.			trans	-81.7	147.9	174.5	-70.6	-29	0	0	0	111.7	S310 H311 F391 D395 G396 R397	N90-S310 WeakPolarHBondContact OD1-CA 3.15Å; N90-H311 WeakPolarHBondContact CA-O 3.5Å; N90-H311 PolarHBondContact OD1-N 3.35Å; N90-F391 HydrophobicContact CB-CE1 3.95Å; N90-D395 WeakPolarHBondContact CB-O 3.47Å; N90-D395 PolarHBondContact ND2-OD1 3.11Å; N90-G396 CarbonylContact O-C 3.56Å; N90-G396 WeakPolarHBondContact O-CA 3.45Å; N90-R397 PolarHBondContact O-N 3.49Å
91	G	94	Very high	93.3	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.01	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	140.1	-176.6	0	0	0	0	0	112.8	H311 L312 C313 F391 R397	G91-H311 PolarHBondContact N-O 2.88Å; G91-L312 WeakPolarHBondContact O-CA 3.27Å; G91-C313 PolarHBondContact O-N 2.79Å; G91-F391 WeakPolarHBondContact O-CE1 3.22Å; G91-R397 CarbonylContact C-O 3.54Å; G91-R397 WeakPolarHBondContact CA-O 3.49Å
92	L	95.6	Very high	93.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	121.8	-178.5	172.2	61.7	0	0	0	110.2	F94 C313 V315 F388 F391 R397 V398 A399	L92-F94 HydrophobicContact CD1-CD2 4.46Å; L92-F94 HydrophobicContact CD1-CE1 4.13Å; L92-F94 HydrophobicContact CD1-CE2 3.93Å; L92-F94 HydrophobicContact CD1-CZ 3.76Å; L92-F94 HydrophobicContact CD2-CD2 4.5Å; L92-F94 HydrophobicContact CD2-CE2 3.48Å; L92-F94 VanDerWaalsContact CD2-CE2 3.48Å; L92-F94 HydrophobicContact CD2-CZ 3.61Å; L92-F94 HydrophobicContact CG-CD2 4.14Å; L92-F94 HydrophobicContact CG-CE2 3.55Å; L92-F94 HydrophobicContact CG-CZ 3.85Å; L92-C313 WeakPolarHBondContact CA-O 3.08Å; L92-C313 HydrophobicContact CB-CB 4.5Å; L92-C313 HydrophobicContact CD1-CB 3.51Å; L92-V315 HydrophobicContact CD1-CG2 3.85Å; L92-F388 HydrophobicContact CD1-CD1 3.71Å; L92-F388 HydrophobicContact CD1-CE1 3.76Å; L92-F388 HydrophobicContact CD1-CG 4.34Å; L92-F388 HydrophobicContact CD1-CZ 4.39Å; L92-F388 HydrophobicContact CD2-CB 4.03Å; L92-F388 HydrophobicContact CD2-CD1 4.02Å; L92-F388 HydrophobicContact CD2-CG 4.13Å; L92-F391 HydrophobicContact CB-CB 4.34Å; L92-F391 HydrophobicContact CB-CD1 3.52Å; L92-F391 HydrophobicContact CB-CD2 4.5Å; L92-F391 HydrophobicContact CB-CE1 3.81Å; L92-F391 HydrophobicContact CB-CG 3.9Å; L92-F391 HydrophobicContact CB-CZ 4.43Å; L92-F391 HydrophobicContact CD2-CB 3.44Å; L92-F391 VanDerWaalsContact CD2-CB 3.44Å; L92-F391 HydrophobicContact CD2-CD1 4.08Å; L92-F391 HydrophobicContact CD2-CD2 3.83Å; L92-F391 HydrophobicContact CD2-CG 3.54Å; L92-F391 HydrophobicContact CG-CD1 4.43Å; L92-F391 HydrophobicContact CG-CG 4.34Å; L92-R397 PolarHBondContact N-O 3.39Å; L92-V398 HydrophobicContact CD2-CG1 4.32Å; L92-V398 HydrophobicContact CD2-CG2 4.48Å; L92-V398 HydrophobicContact CG-CG1 4.45Å; L92-V398 WeakPolarHBondContact O-CA 3.41Å; L92-A399 PolarHBondContact O-N 3.48Å
93	L	96.7	Very high	93.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	119.2	-178.3	-167.8	159.8	0	0	0	110.1	V77 A78 M107 I116 C313 L314 V315 A399	V77-L93 HydrophobicContact CG1-CD1 4.04Å; A78-L93 HydrophobicContact CB-CD1 3.76Å; L93-M107 HydrophobicContact CD2-CE 3.95Å; L93-I116 HydrophobicContact CD1-CD1 4.36Å; L93-I116 HydrophobicContact CD1-CG2 4.15Å; L93-I116 HydrophobicContact CD2-CD1 3.98Å; L93-I116 HydrophobicContact CD2-CG2 4.42Å; L93-C313 PolarHBondContact N-O 3.42Å; L93-L314 HydrophobicContact CB-CD2 3.96Å; L93-V315 PolarHBondContact O-N 3.02Å; L93-A399 WeakPolarHBondContact CA-O 3.42Å; L93-A399 HydrophobicContact CG-CB 4.29Å
94	F	94.2	Very high	93	Very high	8 Å²	8	18.5 Å²	18.5	4%	0.035	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	135.2	176.8	-63.3	-79.7	0	0	0	112	L92 V315 L317 F388 F392 V398 A399 L401	L92-F94 HydrophobicContact CD1-CD2 4.46Å; L92-F94 HydrophobicContact CD1-CE1 4.13Å; L92-F94 HydrophobicContact CD1-CE2 3.93Å; L92-F94 HydrophobicContact CD1-CZ 3.76Å; L92-F94 HydrophobicContact CD2-CD2 4.5Å; L92-F94 HydrophobicContact CD2-CE2 3.48Å; L92-F94 VanDerWaalsContact CD2-CE2 3.48Å; L92-F94 HydrophobicContact CD2-CZ 3.61Å; L92-F94 HydrophobicContact CG-CD2 4.14Å; L92-F94 HydrophobicContact CG-CE2 3.55Å; L92-F94 HydrophobicContact CG-CZ 3.85Å; F94-V315 WeakPolarHBondContact CA-O 3.01Å; F94-V315 HydrophobicContact CD1-CB 3.61Å; F94-V315 HydrophobicContact CD1-CG1 3.61Å; F94-V315 HydrophobicContact CD1-CG2 4.1Å; F94-V315 HydrophobicContact CE1-CB 4.06Å; F94-V315 HydrophobicContact CE1-CG1 3.9Å; F94-V315 HydrophobicContact CE1-CG2 4.11Å; F94-V315 HydrophobicContact CG-CB 4.46Å; F94-L317 HydrophobicContact CB-CD1 4.13Å; F94-L317 HydrophobicContact CD1-CD1 3.86Å; F94-L317 HydrophobicContact CD1-CD2 3.86Å; F94-L317 HydrophobicContact CD1-CG 3.93Å; F94-L317 HydrophobicContact CE1-CD2 4.19Å; F94-L317 HydrophobicContact CG-CD1 4.28Å; F94-F388 AromaticContact CE1-CD2 3.77Å; F94-F388 HydrophobicContact CE1-CD2 3.77Å; F94-F388 AromaticContact CE1-CE2 3.71Å; F94-F388 HydrophobicContact CE1-CE2 3.71Å; F94-F388 HydrophobicContact CE1-CG 4.4Å; F94-F388 HydrophobicContact CE1-CZ 4.31Å; F94-F388 HydrophobicContact CZ-CB 4.42Å; F94-F388 AromaticContact CZ-CD2 3.75Å; F94-F388 HydrophobicContact CZ-CD2 3.75Å; F94-F388 HydrophobicContact CZ-CE2 4.16Å; F94-F388 HydrophobicContact CZ-CG 4.01Å; F94-F392 HydrophobicContact CE2-CE1 4.25Å; F94-F392 AromaticContact CE2-CZ 3.92Å; F94-F392 HydrophobicContact CE2-CZ 3.92Å; F94-F392 AromaticContact CZ-CZ 3.9Å; F94-F392 HydrophobicContact CZ-CZ 3.9Å; F94-V398 HydrophobicContact CE2-CG1 4.35Å; F94-A399 PolarHBondContact N-O 2.94Å; F94-L401 PolarHBondContact O-N 3.09Å
95	T	96.3	Very high	93.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	135	155.1	38.3	0	0	0	0	110.3	M107 V315 D316 L317 L401	T95-M107 HydrophobicContact CG2-CB 4.43Å; T95-M107 HydrophobicContact CG2-CE 4.04Å; T95-V315 PolarHBondContact N-O 3.4Å; T95-V315 PolarHBondContact OG1-O 2.86Å; T95-D316 WeakPolarHBondContact OG1-CA 3.49Å; T95-D316 PolarHBondContact OG1-OD1 3.45Å; T95-L317 VanDerWaalsContact O-CB 3.26Å; T95-L317 WeakPolarHBondContact O-CB 3.5Å; T95-L317 WeakPolarHBondContact O-CG 3.33Å; T95-L317 PolarHBondContact O-N 3.18Å; T95-L401 CarbonylContact C-O 3.54Å; T95-L401 WeakPolarHBondContact CA-O 3.28Å; T95-L401 HydrophobicContact CG2-CB 4.18Å; T95-L401 HydrophobicContact CG2-CD2 4.14Å; T95-L401 HydrophobicContact CG2-CG 4.39Å
96	Y	94.5	Very high	93.2	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.008	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	151.8	-176.6	178.8	-98.3	0	0	0	112.2	L317 S320 L343 R347 M400 L401 V402 C403 V417 F420	Y96-L317 HydrophobicContact CD2-CD1 3.98Å; Y96-S320 VanDerWaalsContact OH-CB 3.3Å; Y96-S320 WeakPolarHBondContact OH-CB 3.19Å; Y96-L343 HydrophobicContact CD2-CD2 4.38Å; Y96-L343 HydrophobicContact CE2-CD1 4.32Å; Y96-L343 HydrophobicContact CE2-CD2 4.15Å; Y96-R347 PolarHBondContact OH-NH1 2.95Å; Y96-M400 HydrophobicContact CD1-CE 3.47Å; Y96-M400 VanDerWaalsContact CD1-CE 3.47Å; Y96-M400 HydrophobicContact CD2-CE 4.29Å; Y96-M400 HydrophobicContact CE1-CE 4.26Å; Y96-M400 HydrophobicContact CG-CE 3.5Å; Y96-M400 VanDerWaalsContact CG-CE 3.5Å; Y96-L401 PolarHBondContact N-O 3Å; Y96-V402 CarbonylContact O-C 3.58Å; Y96-V402 WeakPolarHBondContact O-CA 3.42Å; Y96-C403 PolarHBondContact O-N 3.29Å; Y96-V417 HydrophobicContact CD1-CG1 4.08Å; Y96-V417 HydrophobicContact CE1-CB 4.13Å; Y96-V417 HydrophobicContact CE1-CG1 3.84Å; Y96-V417 HydrophobicContact CE1-CG2 3.91Å; Y96-F420 HydrophobicContact CD1-CD1 4.24Å; Y96-F420 HydrophobicContact CD1-CE1 4.34Å; Y96-F420 HydrophobicContact CD2-CE1 4.33Å; Y96-F420 AromaticContact CE1-CD1 3.53Å; Y96-F420 HydrophobicContact CE1-CD1 3.53Å; Y96-F420 AromaticContact CE1-CE1 3.96Å; Y96-F420 HydrophobicContact CE1-CE1 3.96Å; Y96-F420 HydrophobicContact CE2-CD1 4.17Å; Y96-F420 AromaticContact CE2-CE1 3.94Å; Y96-F420 HydrophobicContact CE2-CE1 3.94Å; Y96-F420 AromaticContact CZ-CD1 3.49Å; Y96-F420 VanDerWaalsContact CZ-CD1 3.49Å; Y96-F420 AromaticContact CZ-CE1 3.75Å
97	G	92.9	Very high	93.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	138.8	-179.8	-175.8	0	0	0	0	0	113.3	K103 S320	G97-K103 PolarHBondContact O-NZ 3.37Å; G97-S320 PolarHBondContact O-N 3.16Å; G97-S320 PolarHBondContact O-OG 3.36Å
98	V	89.8	Confident	93.4	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.012	12%	0.117	C	C	.	.	S	Bend	trans	-69.4	161.4	179.7	-62.4	0	0	0	0	112.7	S101 K103 S320 E321 E413 V417	V98-S101 PolarHBondContact O-N 2.93Å; V98-S101 PolarHBondContact O-OG 2.9Å; V98-S101 VanDerWaalsContact O-OG 3.04Å; V98-K103 VanDerWaalsContact C-NZ 3.26Å; V98-K103 PolarHBondContact O-NZ 3.07Å; V98-S320 PolarHBondContact N-OG 3.24Å; V98-E321 WeakPolarHBondContact CA-OE2 3.48Å; V98-E321 HydrophobicContact CG1-CB 4.29Å; V98-E413 HydrophobicContact CG1-CB 3.57Å; V98-V417 HydrophobicContact CG1-CG2 4.36Å
99	T	88.1	Confident	93.6	Very high	49 Å²	49	21.1 Å²	21.1	30%	0.301	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	139.9	166.3	-66.7	0	0	0	0	110.5	S101 S278 E321	T99-S101 VanDerWaalsContact C-N 3.28Å; T99-S101 PolarHBondContact O-N 2.64Å; T99-S278 WeakPolarHBondContact OG1-CB 3.4Å; T99-S278 PolarHBondContact OG1-OG 2.83Å; T99-E321 VanDerWaalsContact CB-OE1 3.31Å; T99-E321 WeakPolarHBondContact CB-OE1 3.37Å; T99-E321 PolarHBondContact N-OE2 3.41Å; T99-E321 PolarHBondContact OG1-OE1 2.75Å; T99-E321 PolarHBondContact OG1-OE2 3.02Å
100	G	87.7	Confident	93.6	Very high	47 Å²	47	19.8 Å²	19.8	49%	0.485	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-11	-178.2	0	0	0	0	0	116.5	K25 G102	K25-G100 WeakPolarHBondContact CD-O 3.42Å; K25-G100 PolarHBondContact NZ-O 3.03Å; G100-G102 PolarHBondContact O-N 3.48Å; G100-G102 VanDerWaalsContact O-N 3.15Å
101	S	92.3	Very high	93.2	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.014	14%	0.144	C	C	.	.	S	Bend	trans	-73.8	-1.2	-175.5	75.7	0	0	0	0	116.2	V98 T99 C403	V98-S101 PolarHBondContact O-N 2.93Å; V98-S101 PolarHBondContact O-OG 2.9Å; V98-S101 VanDerWaalsContact O-OG 3.04Å; T99-S101 VanDerWaalsContact C-N 3.28Å; T99-S101 PolarHBondContact O-N 2.64Å; S101-C403 WeakPolarHBondContact CB-O 3.34Å; S101-C403 WeakPolarHBondContact O-CB 3.13Å; S101-C403 PolarHBondContact OG-O 3.28Å
102	G	93	Very high	93	Very high	21 Å²	21	30.8 Å²	30.8	22%	0.216	18%	0.182	C	C	.	.	S	Bend	trans	98.2	14	178.4	0	0	0	0	0	115.9	G100 Y105 S106	G100-G102 PolarHBondContact O-N 3.48Å; G100-G102 VanDerWaalsContact O-N 3.15Å; G102-Y105 PolarHBondContact O-N 3.15Å; G102-S106 WeakPolarHBondContact O-CB 3.43Å; G102-S106 PolarHBondContact O-N 2.93Å; G102-S106 PolarHBondContact O-OG 3.37Å
103	K	94.7	Very high	92.9	Very high	8 Å²	8	32.8 Å²	32.8	4%	0.035	19%	0.192	C	C	.	.	H	α-helix	trans	-52.6	-64.1	173.7	-65.1	-167.9	-63.4	-71.5	0	112.7	G97 V98 Y105 S106 M107 D316 L317 C403	G97-K103 PolarHBondContact O-NZ 3.37Å; V98-K103 VanDerWaalsContact C-NZ 3.26Å; V98-K103 PolarHBondContact O-NZ 3.07Å; K103-Y105 PolarHBondContact O-N 2.89Å; K103-S106 WeakPolarHBondContact O-CA 3.4Å; K103-S106 WeakPolarHBondContact O-CB 3.28Å; K103-S106 PolarHBondContact O-N 2.95Å; K103-M107 PolarHBondContact O-N 3.21Å; K103-D316 VanDerWaalsContact CB-OD1 3.31Å; K103-D316 WeakPolarHBondContact CB-OD1 3.46Å; K103-L317 WeakPolarHBondContact CE-O 3.15Å; K103-C403 HydrophobicContact CG-CB 4.17Å
104	T	94.2	Very high	92.9	Very high	42 Å²	42	33 Å²	33	26%	0.258	19%	0.194	S	C	.	.	H	α-helix	trans	-63.8	-29.4	-179.5	-41.4	0	0	0	0	112.2	M107 E108 G109 D316	T104-M107 PolarHBondContact O-N 3.4Å; T104-E108 HydrophobicContact CG2-CG 4.13Å; T104-E108 VanDerWaalsContact CG2-OE1 3.27Å; T104-E108 WeakPolarHBondContact CG2-OE1 3.45Å; T104-E108 WeakPolarHBondContact O-CB 3.24Å; T104-E108 PolarHBondContact O-N 3.4Å; T104-G109 PolarHBondContact O-N 3.01Å; T104-D316 WeakPolarHBondContact CB-OD2 3.37Å; T104-D316 PolarHBondContact N-OD1 2.94Å; T104-D316 PolarHBondContact OG1-OD2 2.65Å
105	Y	95	Very high	93	Very high	99 Å²	99	32.7 Å²	32.7	39%	0.388	19%	0.193	S	C	.	.	H	α-helix	trans	-63.6	-48.2	169.4	-172	-95.2	0	0	0	110.9	Q70 G102 K103 M107 G109 D113	Q70-Y105 HydrophobicContact CG-CE1 3.82Å; Q70-Y105 PolarHBondContact NE2-O 3.47Å; G102-Y105 PolarHBondContact O-N 3.15Å; K103-Y105 PolarHBondContact O-N 2.89Å; Y105-M107 VanDerWaalsContact C-N 3.28Å; Y105-M107 PolarHBondContact O-N 3.47Å; Y105-G109 WeakPolarHBondContact O-CA 3.41Å; Y105-G109 PolarHBondContact O-N 3.44Å; Y105-D113 PolarHBondContact OH-OD2 3.39Å
106	S	97.4	Very high	93.1	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	19%	0.193	C	C	.	.	H	α-helix	trans	-64.3	-32.4	178.8	-51.6	0	0	0	0	112.7	R23 G102 K103 I116	R23-S106 PolarHBondContact NH1-OG 3.3Å; G102-S106 WeakPolarHBondContact O-CB 3.43Å; G102-S106 PolarHBondContact O-N 2.93Å; G102-S106 PolarHBondContact O-OG 3.37Å; K103-S106 WeakPolarHBondContact O-CA 3.4Å; K103-S106 WeakPolarHBondContact O-CB 3.28Å; K103-S106 PolarHBondContact O-N 2.95Å; S106-I116 WeakPolarHBondContact O-CG1 3.32Å; S106-I116 PolarHBondContact O-N 3.36Å
107	M	96.7	Very high	93.2	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.02	19%	0.193	C	C	.	.	H	α-helix	trans	-81.3	-54.9	179	-171	60.2	66.9	0	0	113.2	L93 T95 K103 T104 Y105 G115 I116 L117 L314 D316	L93-M107 HydrophobicContact CD2-CE 3.95Å; T95-M107 HydrophobicContact CG2-CB 4.43Å; T95-M107 HydrophobicContact CG2-CE 4.04Å; K103-M107 PolarHBondContact O-N 3.21Å; T104-M107 PolarHBondContact O-N 3.4Å; Y105-M107 VanDerWaalsContact C-N 3.28Å; Y105-M107 PolarHBondContact O-N 3.47Å; M107-G115 CarbonylContact O-C 3.46Å; M107-I116 PolarHBondContact O-N 3.12Å; M107-I116 HydrophobicContact SD-CB 4.42Å; M107-I116 HydrophobicContact SD-CG2 4.32Å; M107-L117 VanDerWaalsContact O-CB 3.32Å; M107-L117 WeakPolarHBondContact O-CB 3.44Å; M107-L117 PolarHBondContact O-N 2.71Å; M107-L117 HydrophobicContact SD-CB 4.26Å; M107-L314 HydrophobicContact CE-CB 4.4Å; M107-L314 HydrophobicContact SD-CB 3.83Å; M107-D316 HydrophobicContact CB-CB 4.44Å; M107-D316 HydrophobicContact CG-CB 4.32Å
108	E	95.1	Very high	93.5	Very high	37 Å²	37	33.4 Å²	33.4	17%	0.173	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-43.4	-172.4	-57.2	179.9	-146.2	0	0	111.7	T104 G115 F259 Q263	T104-E108 HydrophobicContact CG2-CG 4.13Å; T104-E108 VanDerWaalsContact CG2-OE1 3.27Å; T104-E108 WeakPolarHBondContact CG2-OE1 3.45Å; T104-E108 WeakPolarHBondContact O-CB 3.24Å; T104-E108 PolarHBondContact O-N 3.4Å; E108-G115 PolarHBondContact O-N 3.38Å; E108-F259 HydrophobicContact CG-CE1 3.8Å; E108-F259 HydrophobicContact CG-CZ 3.72Å; E108-F259 WeakPolarHBondContact OE2-CE1 3.08Å; E108-Q263 PolarHBondContact OE1-NE2 3.4Å; E108-Q263 PolarHBondContact OE2-NE2 2.93Å
109	G	93.2	Very high	93.8	Very high	24 Å²	24	34.5 Å²	34.5	25%	0.247	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	76.6	-143.9	-179.3	0	0	0	0	0	114.1	Q70 T104 Y105	Q70-G109 VanDerWaalsContact NE2-CA 3.25Å; T104-G109 PolarHBondContact O-N 3.01Å; Y105-G109 WeakPolarHBondContact O-CA 3.41Å; Y105-G109 PolarHBondContact O-N 3.44Å
110	S	91.4	Very high	94.3	Very high	54 Å²	54	32.1 Å²	32.1	38%	0.378	19%	0.187	S	C	.	.			trans	-132.7	166.4	173	72.3	0	0	0	0	110	K112 D113 P114	S110-K112 PolarHBondContact O-N 3.48Å; S110-K112 VanDerWaalsContact O-N 3.17Å; S110-D113 PolarHBondContact N-O 3.5Å; S110-D113 CarbonylContact O-C 3.48Å; S110-D113 PolarHBondContact O-N 2.88Å; S110-D113 PolarHBondContact OG-N 3.06Å; S110-D113 VanDerWaalsContact OG-N 3.08Å; S110-P114 WeakPolarHBondContact O-CA 3.28Å; S110-P114 VanDerWaalsContact O-N 3.16Å
111	S	85.8	Confident	94.8	Very high	63 Å²	63	29.9 Å²	29.9	44%	0.441	16%	0.164	S	C	.	.	S	Bend	trans	-59.9	-27.4	178.2	-47.8	0	0	0	0	113.7	R182 T183	S111-R182 WeakPolarHBondContact O-CA 3.47Å; S111-T183 PolarHBondContact O-N 2.93Å
112	K	89.8	Confident	95	Very high	184 Å²	184	30 Å²	30	80%	0.8	16%	0.164	S	C	*	.	S	Bend	trans	-88.4	-31.7	177.7	-66.2	-169.8	174.5	-169.6	0	113.2	S110 T183	S110-K112 PolarHBondContact O-N 3.48Å; S110-K112 VanDerWaalsContact O-N 3.17Å; K112-T183 PolarHBondContact O-OG1 3.01Å
113	D	93	Very high	95.2	Very high	41 Å²	41	29 Å²	29	22%	0.219	15%	0.154	C	C	.	.	S	Bend	trans	-133.5	80.8	-179.1	-172.7	25.6	0	0	0	109.7	Q70 Y105 S110 R119	Q70-D113 VanDerWaalsContact CB-OD1 3.28Å; Q70-D113 WeakPolarHBondContact CB-OD1 3.47Å; Q70-D113 HydrophobicContact CG-CB 4.41Å; Q70-D113 WeakPolarHBondContact CG-OD1 3.37Å; Q70-D113 WeakPolarHBondContact CG-OD2 3.46Å; Q70-D113 PolarHBondContact NE2-O 3.05Å; Y105-D113 PolarHBondContact OH-OD2 3.39Å; S110-D113 PolarHBondContact N-O 3.5Å; S110-D113 CarbonylContact O-C 3.48Å; S110-D113 PolarHBondContact O-N 2.88Å; S110-D113 PolarHBondContact OG-N 3.06Å; S110-D113 VanDerWaalsContact OG-N 3.08Å; D113-R119 IonicContact OD1-NH2 2.61Å; D113-R119 PolarHBondContact OD1-NH2 3Å; D113-R119 VanDerWaalsContact OD1-NH2 3.14Å
114	P	95.4	Very high	95.4	Very high	6 Å²	6	28.7 Å²	28.7	4%	0.039	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-68.6	150	-172.7	24.9	-34.2	0	0	0	111.8	Q70 S110 P118 R119 T183	Q70-P114 WeakPolarHBondContact CB-O 3.29Å; Q70-P114 WeakPolarHBondContact CG-O 3.39Å; Q70-P114 PolarHBondContact NE2-O 3.47Å; S110-P114 WeakPolarHBondContact O-CA 3.28Å; S110-P114 VanDerWaalsContact O-N 3.16Å; P114-P118 HydrophobicContact CB-CB 3.83Å; P114-P118 HydrophobicContact CB-CG 3.92Å; P114-R119 HydrophobicContact CB-CG 4.34Å; P114-R119 HydrophobicContact CG-CG 4.05Å; P114-R119 PolarHBondContact O-NE 3.39Å; P114-T183 WeakPolarHBondContact CD-OG1 3.39Å
115	G	97.1	Very high	95.5	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.01	14%	0.144	C	C	.	.			trans	-82	-167.7	178.4	0	0	0	0	0	114.2	Q70 M107 E108 L117 P118 R119	Q70-G115 VanDerWaalsContact NE2-CA 3.28Å; M107-G115 CarbonylContact O-C 3.46Å; E108-G115 PolarHBondContact O-N 3.38Å; G115-L117 PolarHBondContact O-N 3.42Å; G115-P118 WeakPolarHBondContact O-CD 3.48Å; G115-R119 WeakPolarHBondContact O-CB 3.12Å; G115-R119 VanDerWaalsContact O-CG 3.31Å; G115-R119 WeakPolarHBondContact O-CG 3.48Å; G115-R119 PolarHBondContact O-N 3.31Å
116	I	98.1	Very high	95.6	Very high	1 Å²	1	26 Å²	26	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-54.8	-38.7	176.7	-74.3	166.5	0	0	0	112.2	V73 A78 L93 S106 M107 S120 L314 L401	V73-I116 HydrophobicContact CG1-CD1 4.06Å; V73-I116 HydrophobicContact CG1-CG1 4.29Å; A78-I116 HydrophobicContact CB-CB 4.38Å; A78-I116 HydrophobicContact CB-CD1 4.49Å; A78-I116 HydrophobicContact CB-CG1 4.05Å; A78-I116 HydrophobicContact CB-CG2 3.65Å; L93-I116 HydrophobicContact CD1-CD1 4.36Å; L93-I116 HydrophobicContact CD1-CG2 4.15Å; L93-I116 HydrophobicContact CD2-CD1 3.98Å; L93-I116 HydrophobicContact CD2-CG2 4.42Å; S106-I116 WeakPolarHBondContact O-CG1 3.32Å; S106-I116 PolarHBondContact O-N 3.36Å; M107-I116 PolarHBondContact O-N 3.12Å; M107-I116 HydrophobicContact SD-CB 4.42Å; M107-I116 HydrophobicContact SD-CG2 4.32Å; I116-S120 WeakPolarHBondContact O-CB 3.1Å; I116-S120 PolarHBondContact O-N 3.33Å; I116-S120 PolarHBondContact O-OG 2.88Å; I116-L314 HydrophobicContact CG2-CD1 4.39Å; I116-L314 HydrophobicContact CG2-CD2 4.12Å; I116-L401 HydrophobicContact CD1-CD2 3.69Å
117	L	97.7	Very high	95.5	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-70.4	-52.9	-172.6	-177.9	160.5	0	0	0	113	M107 G115 S120 L121 L256 F259 F284 L314	M107-L117 VanDerWaalsContact O-CB 3.32Å; M107-L117 WeakPolarHBondContact O-CB 3.44Å; M107-L117 PolarHBondContact O-N 2.71Å; M107-L117 HydrophobicContact SD-CB 4.26Å; G115-L117 PolarHBondContact O-N 3.42Å; L117-S120 PolarHBondContact O-N 2.88Å; L117-L121 HydrophobicContact CD2-CD1 3.85Å; L117-L121 PolarHBondContact O-N 3.35Å; L117-L121 VanDerWaalsContact O-N 3.12Å; L117-L256 HydrophobicContact CD2-CD2 3.76Å; L117-F259 HydrophobicContact CD1-CD2 3.76Å; L117-F259 HydrophobicContact CD1-CE1 4.38Å; L117-F259 HydrophobicContact CD1-CE2 3.48Å; L117-F259 VanDerWaalsContact CD1-CE2 3.48Å; L117-F259 HydrophobicContact CD1-CG 4.35Å; L117-F259 HydrophobicContact CD1-CZ 3.83Å; L117-F259 HydrophobicContact CD2-CD1 4.38Å; L117-F259 HydrophobicContact CD2-CD2 4.46Å; L117-F259 HydrophobicContact CD2-CG 4.29Å; L117-F284 HydrophobicContact CD1-CB 3.9Å; L117-F284 HydrophobicContact CD1-CD1 3.44Å; L117-F284 VanDerWaalsContact CD1-CD1 3.44Å; L117-F284 HydrophobicContact CD1-CE1 4.07Å; L117-F284 HydrophobicContact CD1-CG 3.81Å; L117-F284 HydrophobicContact CD2-CD1 4.32Å; L117-F284 HydrophobicContact CD2-CE1 4.12Å; L117-F284 HydrophobicContact CG-CD1 3.76Å; L117-F284 HydrophobicContact CG-CE1 3.98Å; L117-L314 HydrophobicContact CB-CD1 3.97Å; L117-L314 HydrophobicContact CG-CD1 4.08Å
118	P	97.4	Very high	95.5	Very high	13 Å²	13	26.2 Å²	26.2	8%	0.084	14%	0.144	C	C	.	.	H	α-helix	trans	-62.4	-45.9	175.4	-19	29	0	0	0	112.5	P114 G115 S120 L121 D122 L256	P114-P118 HydrophobicContact CB-CB 3.83Å; P114-P118 HydrophobicContact CB-CG 3.92Å; G115-P118 WeakPolarHBondContact O-CD 3.48Å; P118-S120 VanDerWaalsContact C-N 3.28Å; P118-S120 PolarHBondContact O-N 3.49Å; P118-L121 WeakPolarHBondContact O-CB 3.31Å; P118-L121 PolarHBondContact O-N 2.94Å; P118-D122 PolarHBondContact O-N 3.02Å; P118-L256 HydrophobicContact CB-CD1 4.15Å; P118-L256 HydrophobicContact CB-CD2 3.95Å; P118-L256 HydrophobicContact CG-CD2 3.88Å
119	R	97.6	Very high	95.3	Very high	25 Å²	25	26.1 Å²	26.1	9%	0.094	15%	0.153	C	C	.	.	H	α-helix	trans	-60.1	-36.4	178.7	-64.6	178.5	-176.3	-97.5	5.7	112.1	F74 D113 P114 G115 V123 E185	F74-R119 HydrophobicContact CB-CB 4.35Å; F74-R119 HydrophobicContact CD1-CB 3.95Å; F74-R119 HydrophobicContact CD2-CB 3.55Å; F74-R119 HydrophobicContact CE1-CB 4.12Å; F74-R119 HydrophobicContact CE2-CB 3.77Å; F74-R119 HydrophobicContact CG-CB 3.67Å; F74-R119 HydrophobicContact CG-CG 4.4Å; F74-R119 HydrophobicContact CZ-CB 4.04Å; F74-R119 WeakPolarHBondContact CZ-O 3.14Å; D113-R119 IonicContact OD1-NH2 2.61Å; D113-R119 PolarHBondContact OD1-NH2 3Å; D113-R119 VanDerWaalsContact OD1-NH2 3.14Å; P114-R119 HydrophobicContact CB-CG 4.34Å; P114-R119 HydrophobicContact CG-CG 4.05Å; P114-R119 PolarHBondContact O-NE 3.39Å; G115-R119 WeakPolarHBondContact O-CB 3.12Å; G115-R119 VanDerWaalsContact O-CG 3.31Å; G115-R119 WeakPolarHBondContact O-CG 3.48Å; G115-R119 PolarHBondContact O-N 3.31Å; R119-V123 WeakPolarHBondContact O-CG2 3.18Å; R119-V123 PolarHBondContact O-N 2.98Å; R119-V123 VanDerWaalsContact O-N 3.13Å; R119-E185 HydrophobicContact CB-CG 3.63Å; R119-E185 VanDerWaalsContact CD-OE1 3.25Å; R119-E185 WeakPolarHBondContact CD-OE1 3.33Å; R119-E185 HydrophobicContact CG-CG 3.81Å; R119-E185 WeakPolarHBondContact CG-OE1 3.3Å; R119-E185 IonicContact CZ-OE1 3.9Å; R119-E185 IonicContact NE-OE1 3.6Å; R119-E185 IonicContact NH1-OE1 3.24Å; R119-E185 PolarHBondContact NH1-OE1 3.11Å
120	S	98.1	Very high	95.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.7	-43.1	173.1	-61.1	0	0	0	0	112.5	V82 I116 L117 P118 I124	V82-S120 WeakPolarHBondContact CG2-OG 3.33Å; I116-S120 WeakPolarHBondContact O-CB 3.1Å; I116-S120 PolarHBondContact O-N 3.33Å; I116-S120 PolarHBondContact O-OG 2.88Å; L117-S120 PolarHBondContact O-N 2.88Å; P118-S120 VanDerWaalsContact C-N 3.28Å; P118-S120 PolarHBondContact O-N 3.49Å; S120-I124 WeakPolarHBondContact O-CB 3.48Å; S120-I124 VanDerWaalsContact O-CD1 3.31Å; S120-I124 WeakPolarHBondContact O-CD1 3.24Å; S120-I124 WeakPolarHBondContact O-CG1 3.49Å; S120-I124 PolarHBondContact O-N 3.16Å
121	L	98	Very high	95.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.8	-44.8	178.5	-73.9	169.2	0	0	0	111.2	L117 P118 I124 F125 A252 A255 L256 F284 I286	L117-L121 HydrophobicContact CD2-CD1 3.85Å; L117-L121 PolarHBondContact O-N 3.35Å; L117-L121 VanDerWaalsContact O-N 3.12Å; P118-L121 WeakPolarHBondContact O-CB 3.31Å; P118-L121 PolarHBondContact O-N 2.94Å; L121-I124 PolarHBondContact O-N 2.97Å; L121-F125 HydrophobicContact CD2-CE2 4.44Å; L121-F125 WeakPolarHBondContact O-CD2 3.26Å; L121-F125 PolarHBondContact O-N 3.19Å; L121-A252 HydrophobicContact CB-CB 3.94Å; L121-A255 HydrophobicContact CD1-CB 3.81Å; L121-A255 HydrophobicContact CD2-CB 3.78Å; L121-A255 HydrophobicContact CG-CB 4.43Å; L121-L256 HydrophobicContact CD1-CD2 3.87Å; L121-L256 HydrophobicContact CD1-CG 3.86Å; L121-F284 HydrophobicContact CD1-CE1 4.12Å; L121-F284 HydrophobicContact CD1-CZ 4.33Å; L121-F284 HydrophobicContact CD2-CE1 4.22Å; L121-F284 HydrophobicContact CG-CE1 4.41Å; L121-I286 HydrophobicContact CD2-CD1 3.69Å; L121-I286 HydrophobicContact CD2-CG1 4.28Å; L121-I286 HydrophobicContact CG-CD1 4.31Å
122	D	97.1	Very high	95.7	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.027	17%	0.167	C	C	.	.	H	α-helix	trans	-56.2	-54.4	175.9	-68.6	-21.1	0	0	0	111	P118 I124 F125 N126 R182 C184 E185 A252	P118-D122 PolarHBondContact O-N 3.02Å; D122-I124 VanDerWaalsContact C-N 3.28Å; D122-I124 PolarHBondContact O-N 2.96Å; D122-F125 PolarHBondContact O-N 3.36Å; D122-F125 VanDerWaalsContact O-N 3.16Å; D122-N126 VanDerWaalsContact O-CB 3.3Å; D122-N126 WeakPolarHBondContact O-CB 3.45Å; D122-N126 PolarHBondContact O-N 3.09Å; D122-N126 PolarHBondContact O-ND2 3.37Å; D122-N126 PolarHBondContact O-OD1 2.88Å; D122-R182 VanDerWaalsContact CG-NH1 3.25Å; D122-R182 IonicContact OD1-CZ 3.62Å; D122-R182 VanDerWaalsContact OD1-CZ 3.24Å; D122-R182 IonicContact OD1-NH1 2.77Å; D122-R182 PolarHBondContact OD1-NH1 3.38Å; D122-R182 IonicContact OD1-NH2 2.84Å; D122-R182 PolarHBondContact OD1-NH2 2.92Å; D122-R182 IonicContact OD2-CZ 3.43Å; D122-R182 IonicContact OD2-NH1 2.88Å; D122-R182 PolarHBondContact OD2-NH1 3.45Å; D122-C184 VanDerWaalsContact OD2-CA 3.27Å; D122-C184 WeakPolarHBondContact OD2-CA 3.34Å; D122-E185 HydrophobicContact CB-CB 3.78Å; D122-E185 HydrophobicContact CB-CG 4.46Å; D122-E185 PolarHBondContact OD2-N 3.25Å; D122-A252 WeakPolarHBondContact OD1-CB 3.38Å
123	V	97.6	Very high	95.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.3	-36.7	179	174.8	0	0	0	0	112.2	F74 F79 V82 R119 S127 E185 I187 V189	F74-V123 HydrophobicContact CE1-CG2 3.78Å; F74-V123 HydrophobicContact CZ-CB 4.23Å; F74-V123 HydrophobicContact CZ-CG2 3.64Å; F79-V123 HydrophobicContact CD2-CG1 4.36Å; F79-V123 HydrophobicContact CE2-CG1 4.13Å; V82-V123 HydrophobicContact CG1-CB 4.34Å; V82-V123 HydrophobicContact CG1-CG1 3.96Å; R119-V123 WeakPolarHBondContact O-CG2 3.18Å; R119-V123 PolarHBondContact O-N 2.98Å; R119-V123 VanDerWaalsContact O-N 3.13Å; V123-S127 VanDerWaalsContact O-CB 3.24Å; V123-S127 WeakPolarHBondContact O-CB 3.29Å; V123-S127 PolarHBondContact O-N 2.99Å; V123-S127 PolarHBondContact O-OG 3.48Å; V123-E185 HydrophobicContact CG2-CB 3.86Å; V123-E185 HydrophobicContact CG2-CG 4.12Å; V123-I187 HydrophobicContact CG2-CB 3.98Å; V123-I187 HydrophobicContact CG2-CG2 4.45Å; V123-V189 HydrophobicContact CG1-CG2 3.97Å
124	I	97.8	Very high	95.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.5	-50.8	175	-71.6	161	0	0	0	110.8	V82 F85 L86 S120 L121 D122 S127 I128 V199 I286 L312	V82-I124 HydrophobicContact CG1-CD1 4.49Å; V82-I124 HydrophobicContact CG1-CG1 3.91Å; F85-I124 HydrophobicContact CD1-CD1 3.97Å; F85-I124 HydrophobicContact CD1-CG1 4.15Å; F85-I124 HydrophobicContact CE1-CD1 3.54Å; F85-I124 HydrophobicContact CE1-CG1 3.91Å; F85-I124 HydrophobicContact CE1-CG2 4.48Å; F85-I124 HydrophobicContact CZ-CD1 4.49Å; L86-I124 HydrophobicContact CD2-CG1 4.45Å; L86-I124 HydrophobicContact CD2-CG2 4.45Å; S120-I124 WeakPolarHBondContact O-CB 3.48Å; S120-I124 VanDerWaalsContact O-CD1 3.31Å; S120-I124 WeakPolarHBondContact O-CD1 3.24Å; S120-I124 WeakPolarHBondContact O-CG1 3.49Å; S120-I124 PolarHBondContact O-N 3.16Å; L121-I124 PolarHBondContact O-N 2.97Å; D122-I124 VanDerWaalsContact C-N 3.28Å; D122-I124 PolarHBondContact O-N 2.96Å; I124-S127 PolarHBondContact O-N 2.91Å; I124-I128 PolarHBondContact O-N 3.14Å; I124-I128 VanDerWaalsContact O-N 3.1Å; I124-V199 HydrophobicContact CG2-CG2 4.25Å; I124-I286 HydrophobicContact CD1-CD1 3.93Å; I124-I286 HydrophobicContact CD1-CG2 4.45Å; I124-L312 HydrophobicContact CD1-CD2 4.13Å
125	F	97.3	Very high	95.6	Very high	17 Å²	17	29 Å²	29	8%	0.075	15%	0.146	C	C	.	.	H	α-helix	trans	-71	-36.8	-177.3	-81.2	-73.7	0	0	0	113	L121 D122 S127 I128 G129 V199 V249 K250 S251 A252	L121-F125 HydrophobicContact CD2-CE2 4.44Å; L121-F125 WeakPolarHBondContact O-CD2 3.26Å; L121-F125 PolarHBondContact O-N 3.19Å; D122-F125 PolarHBondContact O-N 3.36Å; D122-F125 VanDerWaalsContact O-N 3.16Å; F125-S127 VanDerWaalsContact C-N 3.27Å; F125-S127 PolarHBondContact O-N 2.86Å; F125-I128 HydrophobicContact CD1-CD1 3.91Å; F125-I128 HydrophobicContact CD1-CG1 4.38Å; F125-I128 HydrophobicContact CE1-CD1 4.09Å; F125-G129 WeakPolarHBondContact O-CA 3.32Å; F125-G129 PolarHBondContact O-N 3.24Å; F125-V199 HydrophobicContact CE1-CB 4.36Å; F125-V199 HydrophobicContact CE1-CG2 4.07Å; F125-V199 HydrophobicContact CE2-CG1 4.34Å; F125-V199 HydrophobicContact CZ-CB 3.9Å; F125-V199 HydrophobicContact CZ-CG1 4.01Å; F125-V199 HydrophobicContact CZ-CG2 3.98Å; F125-V249 HydrophobicContact CZ-CB 4.36Å; F125-V249 HydrophobicContact CZ-CG2 3.99Å; F125-K250 WeakPolarHBondContact CE1-O 3.28Å; F125-S251 WeakPolarHBondContact CE2-O 3.47Å; F125-A252 HydrophobicContact CD2-CB 3.93Å
126	N	96.2	Very high	95.3	Very high	67 Å²	67	31.3 Å²	31.3	36%	0.358	15%	0.154	S	C	.	.	H	α-helix	trans	-60.5	-35.5	170.8	-67	-13.1	0	0	0	112.5	D122 E185 I187	D122-N126 VanDerWaalsContact O-CB 3.3Å; D122-N126 WeakPolarHBondContact O-CB 3.45Å; D122-N126 PolarHBondContact O-N 3.09Å; D122-N126 PolarHBondContact O-ND2 3.37Å; D122-N126 PolarHBondContact O-OD1 2.88Å; N126-E185 PolarHBondContact ND2-O 3.43Å; N126-I187 WeakPolarHBondContact CB-O 3.48Å; N126-I187 PolarHBondContact ND2-O 3.43Å
127	S	96.3	Very high	95.1	Very high	10 Å²	10	31.7 Å²	31.7	7%	0.07	16%	0.157	C	C	.	.	H	α-helix	trans	-79.4	-37.6	-177.2	-56.9	0	0	0	0	113	V123 I124 F125 V189 I191	V123-S127 VanDerWaalsContact O-CB 3.24Å; V123-S127 WeakPolarHBondContact O-CB 3.29Å; V123-S127 PolarHBondContact O-N 2.99Å; V123-S127 PolarHBondContact O-OG 3.48Å; I124-S127 PolarHBondContact O-N 2.91Å; F125-S127 VanDerWaalsContact C-N 3.27Å; F125-S127 PolarHBondContact O-N 2.86Å; S127-V189 PolarHBondContact OG-N 2.92Å; S127-I191 VanDerWaalsContact O-CD1 3.28Å; S127-I191 WeakPolarHBondContact O-CD1 3.34Å; S127-I191 WeakPolarHBondContact O-CG1 3.24Å
128	I	95.1	Very high	94.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-82.1	-32.1	176	69.1	-172.9	0	0	0	112.3	L86 I124 F125 Q130 F131 Q132 F197 V199 L288	L86-I128 HydrophobicContact CD2-CG2 4.19Å; I124-I128 PolarHBondContact O-N 3.14Å; I124-I128 VanDerWaalsContact O-N 3.1Å; F125-I128 HydrophobicContact CD1-CD1 3.91Å; F125-I128 HydrophobicContact CD1-CG1 4.38Å; F125-I128 HydrophobicContact CE1-CD1 4.09Å; I128-Q130 PolarHBondContact O-N 2.69Å; I128-Q130 VanDerWaalsContact O-N 3.17Å; I128-F131 WeakPolarHBondContact O-CB 3.48Å; I128-F131 WeakPolarHBondContact O-CD2 3.24Å; I128-F131 PolarHBondContact O-N 3.04Å; I128-Q132 HydrophobicContact CD1-CG 3.78Å; I128-Q132 HydrophobicContact CG1-CG 3.9Å; I128-F197 HydrophobicContact CB-CB 4.26Å; I128-F197 HydrophobicContact CB-CD2 4.32Å; I128-F197 HydrophobicContact CB-CG 4.38Å; I128-F197 HydrophobicContact CD1-CB 4.49Å; I128-F197 HydrophobicContact CG2-CB 3.99Å; I128-F197 HydrophobicContact CG2-CD1 4.28Å; I128-F197 HydrophobicContact CG2-CD2 4.05Å; I128-F197 HydrophobicContact CG2-CG 3.84Å; I128-V199 HydrophobicContact CD1-CG2 3.52Å; I128-L288 HydrophobicContact CG2-CD1 4.39Å
129	G	92.5	Very high	94.5	Very high	35 Å²	35	34.3 Å²	34.3	36%	0.361	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	-118.1	174.9	0	0	0	0	0	113.3	F125 Q132	F125-G129 WeakPolarHBondContact O-CA 3.32Å; F125-G129 PolarHBondContact O-N 3.24Å; G129-Q132 PolarHBondContact O-NE2 3.36Å
130	Q	90.5	Very high	94.2	Very high	169 Å²	169	35.3 Å²	35.3	79%	0.79	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-14.6	178.4	71.2	-174.5	33.4	0	0	114.8	I128 Q132	I128-Q130 PolarHBondContact O-N 2.69Å; I128-Q130 VanDerWaalsContact O-N 3.17Å; Q130-Q132 PolarHBondContact O-N 3.01Å
131	F	93.2	Very high	93.7	Very high	82 Å²	82	37.2 Å²	37.2	36%	0.36	19%	0.187	S	C	.	.			trans	-79.1	37.3	-177.1	-57.8	-76.6	0	0	0	112.5	I128 I191 L196 F197	I128-F131 WeakPolarHBondContact O-CB 3.48Å; I128-F131 WeakPolarHBondContact O-CD2 3.24Å; I128-F131 PolarHBondContact O-N 3.04Å; F131-I191 HydrophobicContact CB-CD1 4.31Å; F131-I191 HydrophobicContact CD2-CD1 3.8Å; F131-I191 HydrophobicContact CG-CD1 4.3Å; F131-L196 HydrophobicContact CB-CD2 4.34Å; F131-L196 CarbonylContact O-C 3.55Å; F131-L196 WeakPolarHBondContact O-CA 3.32Å; F131-F197 HydrophobicContact CB-CD2 4.21Å; F131-F197 WeakPolarHBondContact O-CD2 3.43Å; F131-F197 PolarHBondContact O-N 3.15Å
132	Q	94.7	Very high	93	Very high	44 Å²	44	39.2 Å²	39.2	21%	0.206	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-96.1	140	179.5	-69.2	-173.6	65.9	0	0	111.1	I128 G129 Q130 F197 K250	I128-Q132 HydrophobicContact CD1-CG 3.78Å; I128-Q132 HydrophobicContact CG1-CG 3.9Å; G129-Q132 PolarHBondContact O-NE2 3.36Å; Q130-Q132 PolarHBondContact O-N 3.01Å; Q132-F197 CarbonylContact C-O 3.55Å; Q132-F197 VanDerWaalsContact CA-O 3.28Å; Q132-F197 WeakPolarHBondContact CA-O 3.47Å; Q132-K250 PolarHBondContact NE2-O 2.87Å
133	T	93.5	Very high	92.5	Very high	4 Å²	4	45 Å²	45	3%	0.025	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-64.1	147.4	169.2	67.2	0	0	0	0	110.1	V138 L196 F197 K250 A300	T133-V138 HydrophobicContact CG2-CG2 4.07Å; T133-L196 HydrophobicContact CG2-CB 3.73Å; T133-L196 HydrophobicContact CG2-CD1 4.38Å; T133-F197 PolarHBondContact N-O 3.13Å; T133-K250 WeakPolarHBondContact O-CE 3.35Å; T133-K250 PolarHBondContact O-NZ 3.24Å; T133-A300 HydrophobicContact CG2-CB 4.14Å
134	K	92	Very high	92	Very high	72 Å²	72	46 Å²	46	31%	0.313	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-61.9	145.3	169.4	-59.4	157.8	-168.2	154.4	0	109	V137 E151 R158 D298	K134-V137 HydrophobicContact CB-CG2 4.14Å; K134-V137 WeakPolarHBondContact O-CB 3.28Å; K134-V137 VanDerWaalsContact O-CG2 3.24Å; K134-V137 WeakPolarHBondContact O-CG2 3.37Å; K134-V137 PolarHBondContact O-N 3.39Å; K134-E151 VanDerWaalsContact CD-CD 3.47Å; K134-E151 WeakPolarHBondContact CD-OE1 3.13Å; K134-E151 WeakPolarHBondContact CD-OE2 3.11Å; K134-E151 WeakPolarHBondContact CE-OE2 3.49Å; K134-E151 IonicContact NZ-OE2 3.74Å; K134-E151 PolarHBondContact NZ-OE2 2.69Å; K134-R158 VanDerWaalsContact CB-NH2 3.27Å; K134-D298 WeakPolarHBondContact CE-OD2 3.46Å; K134-D298 PolarHBondContact NZ-O 2.76Å; K134-D298 IonicContact NZ-OD2 3.48Å; K134-D298 PolarHBondContact NZ-OD2 3.2Å
135	K	90.3	Very high	91.5	Very high	63 Å²	63	46.3 Å²	46.3	27%	0.274	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	144.5	-171.5	-150.1	165.3	-170.8	153.6	0	111.1	V137 R158 E248 E254	K135-V137 PolarHBondContact O-N 3.42Å; K135-R158 PolarHBondContact O-NE 3.37Å; K135-R158 PolarHBondContact O-NH2 3.21Å; K135-E248 WeakPolarHBondContact CE-O 3.37Å; K135-E248 HydrophobicContact CG-CG 4.48Å; K135-E248 WeakPolarHBondContact CG-OE2 3.36Å; K135-E248 PolarHBondContact NZ-O 3.19Å; K135-E254 IonicContact NZ-OE1 2.7Å; K135-E254 PolarHBondContact NZ-OE1 3.44Å; K135-E254 IonicContact NZ-OE2 3.11Å
136	Y	90.2	Very high	91.2	Very high	48 Å²	48	45.8 Å²	45.8	19%	0.188	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	4.9	-175.1	-48.1	-88.2	0	0	0	117.2	V138 Q149 D157 R158 F161 E248	Y136-V138 VanDerWaalsContact C-N 3.26Å; Y136-Q149 VanDerWaalsContact O-CD 3.26Å; Y136-Q149 VanDerWaalsContact O-CG 3.32Å; Y136-Q149 WeakPolarHBondContact O-CG 3.39Å; Y136-Q149 PolarHBondContact O-NE2 3.49Å; Y136-D157 HydrophobicContact CD1-CB 4.43Å; Y136-D157 HydrophobicContact CG-CB 4.36Å; Y136-R158 HydrophobicContact CD2-CB 4.35Å; Y136-R158 HydrophobicContact CD2-CG 3.47Å; Y136-R158 VanDerWaalsContact CD2-CG 3.47Å; Y136-R158 HydrophobicContact CE2-CG 4.02Å; Y136-R158 HydrophobicContact CG-CG 4.43Å; Y136-F161 AromaticContact CD1-CD2 3.82Å; Y136-F161 HydrophobicContact CD1-CD2 3.82Å; Y136-F161 AromaticContact CD1-CE2 3.96Å; Y136-F161 HydrophobicContact CD1-CE2 3.96Å; Y136-F161 HydrophobicContact CE1-CB 4.36Å; Y136-F161 AromaticContact CE1-CD2 3.23Å; Y136-F161 HydrophobicContact CE1-CD2 3.23Å; Y136-F161 AromaticContact CE1-CE2 3.6Å; Y136-F161 HydrophobicContact CE1-CE2 3.6Å; Y136-F161 AromaticContact CE1-CG 3.86Å; Y136-F161 HydrophobicContact CE1-CG 3.86Å; Y136-F161 HydrophobicContact CE1-CZ 4.45Å; Y136-F161 AromaticContact CZ-CD2 3.7Å; Y136-F161 AromaticContact CZ-CG 3.96Å; Y136-F161 WeakPolarHBondContact OH-CB 3.28Å; Y136-E248 PolarHBondContact N-OE2 2.81Å
137	V	93.3	Very high	91	Very high	10 Å²	10	45.1 Å²	45.1	6%	0.061	23%	0.234	C	C	.	.	S	Bend	trans	-68.4	-30.6	169	171.1	0	0	0	0	111.2	K134 K135 I148 Q149 A154 A300	K134-V137 HydrophobicContact CB-CG2 4.14Å; K134-V137 WeakPolarHBondContact O-CB 3.28Å; K134-V137 VanDerWaalsContact O-CG2 3.24Å; K134-V137 WeakPolarHBondContact O-CG2 3.37Å; K134-V137 PolarHBondContact O-N 3.39Å; K135-V137 PolarHBondContact O-N 3.42Å; V137-I148 HydrophobicContact CG1-CG2 4.18Å; V137-I148 WeakPolarHBondContact O-CA 3.48Å; V137-Q149 PolarHBondContact O-N 3.3Å; V137-A154 HydrophobicContact CB-CB 4.39Å; V137-A154 HydrophobicContact CG2-CB 3.66Å; V137-A300 HydrophobicContact CG1-CB 3.76Å
138	V	93.3	Very high	90.7	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.3	171.8	-176.5	0	0	0	0	108.5	T133 Y136 F146 I147 A198 F200 V289 T291	T133-V138 HydrophobicContact CG2-CG2 4.07Å; Y136-V138 VanDerWaalsContact C-N 3.26Å; V138-F146 HydrophobicContact CG1-CB 3.85Å; V138-F146 HydrophobicContact CG1-CD1 3.93Å; V138-F146 HydrophobicContact CG1-CG 4.12Å; V138-I147 WeakPolarHBondContact CA-O 3.26Å; V138-A198 HydrophobicContact CB-CB 3.8Å; V138-A198 HydrophobicContact CG1-CB 4.2Å; V138-A198 HydrophobicContact CG2-CB 3.73Å; V138-F200 HydrophobicContact CB-CE2 4.07Å; V138-F200 HydrophobicContact CB-CZ 4.26Å; V138-F200 HydrophobicContact CG1-CE2 3.67Å; V138-F200 HydrophobicContact CG1-CZ 4.08Å; V138-V289 HydrophobicContact CG1-CB 4.05Å; V138-V289 HydrophobicContact CG1-CG1 3.88Å; V138-V289 HydrophobicContact CG1-CG2 4.03Å; V138-T291 HydrophobicContact CG2-CG2 4.31Å
139	K	91.1	Very high	90.5	Very high	69 Å²	69	46.3 Å²	46.3	30%	0.3	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	133.2	-173	-168.9	171.5	-175.3	175	0	112.4	F146 I147 D157	K139-F146 CarbonylContact O-C 3.56Å; K139-F146 WeakPolarHBondContact O-CA 3.45Å; K139-I147 PolarHBondContact N-O 3.1Å; K139-I147 PolarHBondContact O-N 3.45Å; K139-D157 VanDerWaalsContact NZ-CG 3.29Å; K139-D157 IonicContact NZ-OD1 2.66Å; K139-D157 PolarHBondContact NZ-OD1 3.02Å; K139-D157 IonicContact NZ-OD2 3.68Å; K139-D157 PolarHBondContact NZ-OD2 3.38Å
140	P	90.8	Very high	90.3	Very high	46 Å²	46	45.8 Å²	45.8	30%	0.299	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	140.4	175.4	-19.9	30.4	0	0	0	112	F146 F200 E246	P140-F146 HydrophobicContact CB-CD1 4.41Å; P140-F146 HydrophobicContact CB-CE1 4.32Å; P140-F146 HydrophobicContact CG-CD1 4.22Å; P140-F146 HydrophobicContact CG-CE1 3.92Å; P140-F200 HydrophobicContact CG-CD1 4.12Å; P140-F200 HydrophobicContact CG-CE1 3.87Å; P140-E246 HydrophobicContact CG-CB 4.18Å
141	D	88	Confident	90.1	Very high	39 Å²	39	39.5 Å²	39.5	21%	0.209	20%	0.201	C	C	.	.			trans	-88.3	-11.8	-179	74.7	-11.9	0	0	0	114.6	F143 N144 G145 I147 F439	D141-F143 VanDerWaalsContact C-N 3.33Å; D141-F143 VanDerWaalsContact O-CD2 3.26Å; D141-F143 WeakPolarHBondContact O-CD2 3.26Å; D141-F143 WeakPolarHBondContact OD1-CA 3.35Å; D141-F143 PolarHBondContact OD1-N 2.97Å; D141-N144 PolarHBondContact OD1-N 3.38Å; D141-N144 VanDerWaalsContact OD1-N 3.13Å; D141-G145 PolarHBondContact N-O 3.26Å; D141-G145 WeakPolarHBondContact OD1-CA 3.38Å; D141-G145 PolarHBondContact OD1-N 3.36Å; D141-G145 VanDerWaalsContact OD1-O 3.05Å; D141-G145 PolarHBondContact OD2-N 3.23Å; D141-I147 HydrophobicContact CB-CD1 4.06Å; D141-I147 HydrophobicContact CB-CG1 4.16Å; D141-F439 HydrophobicContact CB-CE1 4.26Å; D141-F439 HydrophobicContact CB-CZ 3.88Å; D141-F439 WeakPolarHBondContact OD2-CZ 3.39Å
142	G	83.2	Confident	89.9	Confident	43 Å²	43	38.5 Å²	38.5	44%	0.443	21%	0.208	S	C	.	.	S	Bend	trans	82.9	1	-174.6	0	0	0	0	0	115.4
143	F	85.6	Confident	89.7	Confident	126 Å²	126	39.8 Å²	39.8	55%	0.553	22%	0.216	S	C	*	.	S	Bend	trans	-125.9	14.5	-175.8	-59.3	-75.1	0	0	0	114.2	D141	D141-F143 VanDerWaalsContact C-N 3.33Å; D141-F143 VanDerWaalsContact O-CD2 3.26Å; D141-F143 WeakPolarHBondContact O-CD2 3.26Å; D141-F143 WeakPolarHBondContact OD1-CA 3.35Å; D141-F143 PolarHBondContact OD1-N 2.97Å
144	N	87.8	Confident	89.6	Confident	22 Å²	22	39.6 Å²	39.6	12%	0.118	22%	0.215	C	C	.	.	S	Bend	trans	93.1	1.6	-179.2	-158.9	44.3	0	0	0	115.8	D141 D234 Y240 R287	D141-N144 PolarHBondContact OD1-N 3.38Å; D141-N144 VanDerWaalsContact OD1-N 3.13Å; N144-D234 HydrophobicContact CB-CB 4.15Å; N144-D234 PolarHBondContact ND2-OD2 3.08Å; N144-Y240 HydrophobicContact CB-CD1 3.74Å; N144-Y240 HydrophobicContact CB-CD2 4.08Å; N144-Y240 HydrophobicContact CB-CE1 4.08Å; N144-Y240 HydrophobicContact CB-CE2 4.41Å; N144-Y240 HydrophobicContact CB-CG 3.73Å; N144-Y240 VanDerWaalsContact OD1-CB 3.32Å; N144-Y240 WeakPolarHBondContact OD1-CB 3.46Å; N144-R287 PolarHBondContact O-NH2 3.42Å
145	G	87.5	Confident	89.5	Confident	5 Å²	5	39.6 Å²	39.6	5%	0.052	22%	0.218	C	C	.	.			trans	-107	178.3	176.1	0	0	0	0	0	114.2	D141	D141-G145 PolarHBondContact N-O 3.26Å; D141-G145 WeakPolarHBondContact OD1-CA 3.38Å; D141-G145 PolarHBondContact OD1-N 3.36Å; D141-G145 VanDerWaalsContact OD1-O 3.05Å; D141-G145 PolarHBondContact OD2-N 3.23Å
146	F	90.9	Very high	89.4	Confident	6 Å²	6	42.3 Å²	42.3	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.3	170.6	-65.3	-86.3	0	0	0	111.1	V138 K139 P140 F200 R287 V289 I309 F439	V138-F146 HydrophobicContact CG1-CB 3.85Å; V138-F146 HydrophobicContact CG1-CD1 3.93Å; V138-F146 HydrophobicContact CG1-CG 4.12Å; K139-F146 CarbonylContact O-C 3.56Å; K139-F146 WeakPolarHBondContact O-CA 3.45Å; P140-F146 HydrophobicContact CB-CD1 4.41Å; P140-F146 HydrophobicContact CB-CE1 4.32Å; P140-F146 HydrophobicContact CG-CD1 4.22Å; P140-F146 HydrophobicContact CG-CE1 3.92Å; F146-F200 HydrophobicContact CD1-CD2 4.11Å; F146-F200 AromaticContact CD1-CE2 3.9Å; F146-F200 HydrophobicContact CD1-CE2 3.9Å; F146-F200 HydrophobicContact CD1-CZ 4.12Å; F146-F200 HydrophobicContact CE1-CB 4.14Å; F146-F200 AromaticContact CE1-CD1 3.76Å; F146-F200 HydrophobicContact CE1-CD1 3.76Å; F146-F200 AromaticContact CE1-CD2 3.38Å; F146-F200 HydrophobicContact CE1-CD2 3.38Å; F146-F200 AromaticContact CE1-CE1 3.96Å; F146-F200 HydrophobicContact CE1-CE1 3.96Å; F146-F200 AromaticContact CE1-CE2 3.61Å; F146-F200 HydrophobicContact CE1-CE2 3.61Å; F146-F200 AromaticContact CE1-CG 3.47Å; F146-F200 HydrophobicContact CE1-CG 3.47Å; F146-F200 VanDerWaalsContact CE1-CG 3.47Å; F146-F200 AromaticContact CE1-CZ 3.9Å; F146-F200 HydrophobicContact CE1-CZ 3.9Å; F146-F200 HydrophobicContact CZ-CB 4Å; F146-F200 HydrophobicContact CZ-CD1 4.46Å; F146-F200 AromaticContact CZ-CD2 3.78Å; F146-F200 HydrophobicContact CZ-CD2 3.78Å; F146-F200 HydrophobicContact CZ-CE2 4.4Å; F146-F200 AromaticContact CZ-CG 3.82Å; F146-F200 HydrophobicContact CZ-CG 3.82Å; F146-R287 HydrophobicContact CE2-CB 4.31Å; F146-R287 HydrophobicContact CZ-CB 4.21Å; F146-V289 HydrophobicContact CB-CG1 4.35Å; F146-V289 HydrophobicContact CB-CG2 4.23Å; F146-V289 HydrophobicContact CD1-CG2 3.94Å; F146-V289 HydrophobicContact CD2-CG2 3.29Å; F146-V289 HydrophobicContact CE1-CG2 4.05Å; F146-V289 HydrophobicContact CE2-CG2 3.41Å; F146-V289 VanDerWaalsContact CE2-CG2 3.41Å; F146-V289 HydrophobicContact CG-CG2 3.56Å; F146-V289 HydrophobicContact CZ-CG2 3.8Å; F146-I309 HydrophobicContact CD2-CD1 3.83Å; F146-I309 HydrophobicContact CD2-CG1 4.11Å; F146-I309 HydrophobicContact CD2-CG2 4.19Å; F146-I309 HydrophobicContact CE2-CG2 3.93Å; F146-F439 WeakPolarHBondContact O-CE2 3.22Å; F146-F439 WeakPolarHBondContact O-CZ 3.42Å
147	I	90.3	Very high	89.3	Confident	53 Å²	53	40.8 Å²	40.8	27%	0.272	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	130.9	171.1	-64.7	166.6	0	0	0	107.7	V138 K139 D141 F439	V138-I147 WeakPolarHBondContact CA-O 3.26Å; K139-I147 PolarHBondContact N-O 3.1Å; K139-I147 PolarHBondContact O-N 3.45Å; D141-I147 HydrophobicContact CB-CD1 4.06Å; D141-I147 HydrophobicContact CB-CG1 4.16Å; I147-F439 HydrophobicContact CD1-CE1 4.44Å; I147-F439 HydrophobicContact CG1-CE1 3.72Å; I147-F439 HydrophobicContact CG1-CZ 3.84Å
148	I	91.7	Very high	88.9	Confident	13 Å²	13	42.3 Å²	42.3	7%	0.067	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	131.8	159	-52.9	174.4	0	0	0	106.9	V137 T291 A300 V301 Q302 V307	V137-I148 HydrophobicContact CG1-CG2 4.18Å; V137-I148 WeakPolarHBondContact O-CA 3.48Å; I148-T291 HydrophobicContact CD1-CG2 3.42Å; I148-T291 VanDerWaalsContact CD1-CG2 3.42Å; I148-T291 HydrophobicContact CG1-CG2 4.07Å; I148-A300 HydrophobicContact CG2-CB 4.25Å; I148-V301 VanDerWaalsContact CD1-O 3.31Å; I148-V301 WeakPolarHBondContact CD1-O 3.46Å; I148-Q302 HydrophobicContact CG2-CG 4.1Å; I148-V307 HydrophobicContact CD1-CG2 3.51Å; I148-V307 HydrophobicContact CG1-CG2 4.33Å
149	Q	90.1	Very high	88.5	Confident	23 Å²	23	48.6 Å²	48.6	11%	0.107	26%	0.262	C	S	.	.			trans	-117.9	160.5	174.6	60.9	-171	63.5	0	0	110.2	Y136 V137 D153 A154 D157	Y136-Q149 VanDerWaalsContact O-CD 3.26Å; Y136-Q149 VanDerWaalsContact O-CG 3.32Å; Y136-Q149 WeakPolarHBondContact O-CG 3.39Å; Y136-Q149 PolarHBondContact O-NE2 3.49Å; V137-Q149 PolarHBondContact O-N 3.3Å; Q149-D153 HydrophobicContact CB-CB 3.95Å; Q149-D153 HydrophobicContact CG-CB 4.15Å; Q149-D153 VanDerWaalsContact NE2-C 3.3Å; Q149-D153 PolarHBondContact NE2-O 3.32Å; Q149-A154 HydrophobicContact CG-CB 4.44Å; Q149-D157 PolarHBondContact NE2-OD2 3.48Å
150	S	88.6	Confident	88.1	Confident	24 Å²	24	53 Å²	53	17%	0.168	28%	0.277	C	S	.	.			trans	-62.1	157.7	179.7	73.7	0	0	0	0	111.3	A152 D153 A154	S150-A152 PolarHBondContact O-N 3.26Å; S150-D153 WeakPolarHBondContact CB-OD2 3.44Å; S150-D153 PolarHBondContact N-OD2 3.38Å; S150-D153 PolarHBondContact O-N 3.2Å; S150-D153 VanDerWaalsContact O-N 3.12Å; S150-D153 VanDerWaalsContact OG-CG 3.23Å; S150-D153 PolarHBondContact OG-N 3.34Å; S150-D153 PolarHBondContact OG-OD2 3.24Å; S150-A154 WeakPolarHBondContact O-CB 3.32Å; S150-A154 PolarHBondContact O-N 2.91Å
151	E	86.8	Confident	87.3	Confident	36 Å²	36	54.3 Å²	54.3	17%	0.168	28%	0.278	C	S	.	.	H	α-helix	trans	-60.8	-33.2	174	174.3	134.2	-141.7	0	0	111.3	K134 D153 A154 L155 R158	K134-E151 VanDerWaalsContact CD-CD 3.47Å; K134-E151 WeakPolarHBondContact CD-OE1 3.13Å; K134-E151 WeakPolarHBondContact CD-OE2 3.11Å; K134-E151 WeakPolarHBondContact CE-OE2 3.49Å; K134-E151 IonicContact NZ-OE2 3.74Å; K134-E151 PolarHBondContact NZ-OE2 2.69Å; E151-D153 PolarHBondContact O-N 2.86Å; E151-A154 PolarHBondContact O-N 3.15Å; E151-L155 HydrophobicContact CG-CD1 3.86Å; E151-L155 HydrophobicContact CG-CG 4.19Å; E151-L155 WeakPolarHBondContact O-CB 3.48Å; E151-L155 VanDerWaalsContact O-CG 3.29Å; E151-L155 WeakPolarHBondContact O-CG 3.46Å; E151-L155 PolarHBondContact O-N 3.48Å; E151-R158 IonicContact OE1-CZ 2.65Å; E151-R158 IonicContact OE1-NH1 2.69Å; E151-R158 PolarHBondContact OE1-NH1 2.97Å; E151-R158 IonicContact OE1-NH2 2.73Å; E151-R158 PolarHBondContact OE1-NH2 2.7Å
152	A	87.9	Confident	86.5	Confident	62 Å²	62	56 Å²	56	51%	0.512	29%	0.287	S	S	.	.	H	α-helix	trans	-60.2	-44.4	173	0	0	0	0	0	112.7	S150 L155 M156	S150-A152 PolarHBondContact O-N 3.26Å; A152-L155 PolarHBondContact O-N 3.19Å; A152-M156 WeakPolarHBondContact O-CG 3.39Å; A152-M156 PolarHBondContact O-N 3.09Å
153	D	91.4	Very high	85.5	Confident	70 Å²	70	61.1 Å²	61.1	37%	0.374	30%	0.297	S	S	.	.	H	α-helix	trans	-66.7	-40.1	174.9	-64.4	-58.6	0	0	0	111.9	Q149 S150 E151 M156 D157	Q149-D153 HydrophobicContact CB-CB 3.95Å; Q149-D153 HydrophobicContact CG-CB 4.15Å; Q149-D153 VanDerWaalsContact NE2-C 3.3Å; Q149-D153 PolarHBondContact NE2-O 3.32Å; S150-D153 WeakPolarHBondContact CB-OD2 3.44Å; S150-D153 PolarHBondContact N-OD2 3.38Å; S150-D153 PolarHBondContact O-N 3.2Å; S150-D153 VanDerWaalsContact O-N 3.12Å; S150-D153 VanDerWaalsContact OG-CG 3.23Å; S150-D153 PolarHBondContact OG-N 3.34Å; S150-D153 PolarHBondContact OG-OD2 3.24Å; E151-D153 PolarHBondContact O-N 2.86Å; D153-M156 PolarHBondContact O-N 3.01Å; D153-M156 WeakPolarHBondContact OD1-CE 3.47Å; D153-D157 PolarHBondContact O-N 3.39Å
154	A	90.5	Very high	84.4	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.9	-40.2	176	0	0	0	0	0	112	V137 Q149 S150 E151 D157 R158	V137-A154 HydrophobicContact CB-CB 4.39Å; V137-A154 HydrophobicContact CG2-CB 3.66Å; Q149-A154 HydrophobicContact CG-CB 4.44Å; S150-A154 WeakPolarHBondContact O-CB 3.32Å; S150-A154 PolarHBondContact O-N 2.91Å; E151-A154 PolarHBondContact O-N 3.15Å; A154-D157 PolarHBondContact O-N 3.05Å; A154-R158 VanDerWaalsContact O-CG 3.24Å; A154-R158 WeakPolarHBondContact O-CG 3.31Å; A154-R158 PolarHBondContact O-N 2.85Å
155	L	89.4	Confident	83	Confident	73 Å²	73	62.8 Å²	62.8	38%	0.382	31%	0.306	S	S	.	.	H	α-helix	trans	-62.6	-43.1	172.8	-76.3	162.5	0	0	0	111.7	E151 A152 R158 H159	E151-L155 HydrophobicContact CG-CD1 3.86Å; E151-L155 HydrophobicContact CG-CG 4.19Å; E151-L155 WeakPolarHBondContact O-CB 3.48Å; E151-L155 VanDerWaalsContact O-CG 3.29Å; E151-L155 WeakPolarHBondContact O-CG 3.46Å; E151-L155 PolarHBondContact O-N 3.48Å; A152-L155 PolarHBondContact O-N 3.19Å; L155-R158 VanDerWaalsContact CD2-NH1 3.27Å; L155-R158 WeakPolarHBondContact O-CB 3.39Å; L155-R158 PolarHBondContact O-N 3.32Å; L155-H159 PolarHBondContact O-CD2 3.5Å; L155-H159 PolarHBondContact O-N 2.98Å; L155-H159 VanDerWaalsContact O-N 3.11Å
156	M	89	Confident	80.9	Confident	119 Å²	119	72.2 Å²	72.2	59%	0.586	34%	0.34	S	S	*	.	H	α-helix	trans	-61.9	-42.8	174.6	-72.2	-169.3	-71	0	0	112.4	A152 D153 R160	A152-M156 WeakPolarHBondContact O-CG 3.39Å; A152-M156 PolarHBondContact O-N 3.09Å; D153-M156 PolarHBondContact O-N 3.01Å; D153-M156 WeakPolarHBondContact OD1-CE 3.47Å; M156-R160 VanDerWaalsContact O-CB 3.29Å; M156-R160 WeakPolarHBondContact O-CB 3.44Å; M156-R160 PolarHBondContact O-N 3.33Å; M156-R160 VanDerWaalsContact O-N 3.09Å
157	D	87.2	Confident	78.7	Confident	17 Å²	17	75.9 Å²	75.9	9%	0.091	37%	0.366	C	S	.	.	H	α-helix	trans	-65.8	-41.6	174.4	-90.2	-44.7	0	0	0	112.4	Y136 K139 Q149 D153 A154 H159 R160 F161	Y136-D157 HydrophobicContact CD1-CB 4.43Å; Y136-D157 HydrophobicContact CG-CB 4.36Å; K139-D157 VanDerWaalsContact NZ-CG 3.29Å; K139-D157 IonicContact NZ-OD1 2.66Å; K139-D157 PolarHBondContact NZ-OD1 3.02Å; K139-D157 IonicContact NZ-OD2 3.68Å; K139-D157 PolarHBondContact NZ-OD2 3.38Å; Q149-D157 PolarHBondContact NE2-OD2 3.48Å; D153-D157 PolarHBondContact O-N 3.39Å; A154-D157 PolarHBondContact O-N 3.05Å; D157-H159 PolarHBondContact O-N 3.15Å; D157-R160 WeakPolarHBondContact O-CB 3.33Å; D157-R160 PolarHBondContact O-N 2.92Å; D157-R160 VanDerWaalsContact O-N 3.16Å; D157-F161 HydrophobicContact CB-CD2 4.36Å; D157-F161 HydrophobicContact CB-CE2 4.44Å; D157-F161 VanDerWaalsContact O-CD2 3.22Å; D157-F161 WeakPolarHBondContact O-CD2 3.48Å; D157-F161 PolarHBondContact O-N 3.09Å
158	R	86.1	Confident	76.4	Confident	42 Å²	42	80.7 Å²	80.7	16%	0.158	38%	0.381	C	S	.	.	H	α-helix	trans	-51.2	-59.5	174.4	-73.5	164.9	-152.6	159.2	10.3	110.6	K134 K135 Y136 E151 A154 L155 R160 F161 D162	K134-R158 VanDerWaalsContact CB-NH2 3.27Å; K135-R158 PolarHBondContact O-NE 3.37Å; K135-R158 PolarHBondContact O-NH2 3.21Å; Y136-R158 HydrophobicContact CD2-CB 4.35Å; Y136-R158 HydrophobicContact CD2-CG 3.47Å; Y136-R158 VanDerWaalsContact CD2-CG 3.47Å; Y136-R158 HydrophobicContact CE2-CG 4.02Å; Y136-R158 HydrophobicContact CG-CG 4.43Å; E151-R158 IonicContact OE1-CZ 2.65Å; E151-R158 IonicContact OE1-NH1 2.69Å; E151-R158 PolarHBondContact OE1-NH1 2.97Å; E151-R158 IonicContact OE1-NH2 2.73Å; E151-R158 PolarHBondContact OE1-NH2 2.7Å; A154-R158 VanDerWaalsContact O-CG 3.24Å; A154-R158 WeakPolarHBondContact O-CG 3.31Å; A154-R158 PolarHBondContact O-N 2.85Å; L155-R158 VanDerWaalsContact CD2-NH1 3.27Å; L155-R158 WeakPolarHBondContact O-CB 3.39Å; L155-R158 PolarHBondContact O-N 3.32Å; R158-R160 PolarHBondContact O-N 3.18Å; R158-F161 PolarHBondContact O-N 3.1Å; R158-F161 VanDerWaalsContact O-N 3.08Å; R158-D162 PolarHBondContact O-N 3.34Å
159	H	84.2	Confident	73.4	Confident	133 Å²	133	85.2 Å²	85.2	62%	0.616	41%	0.405	S	S	*	.	H	α-helix	trans	-57.3	-37.8	179.4	-72.5	-60.3	0	0	0	112.7	L155 D157 F163	L155-H159 PolarHBondContact O-CD2 3.5Å; L155-H159 PolarHBondContact O-N 2.98Å; L155-H159 VanDerWaalsContact O-N 3.11Å; D157-H159 PolarHBondContact O-N 3.15Å; H159-F163 VanDerWaalsContact O-CB 3.31Å; H159-F163 WeakPolarHBondContact O-CB 3.48Å; H159-F163 PolarHBondContact O-N 3.06Å
160	R	82.7	Confident	70.5	Confident	161 Å²	161	89 Å²	89	61%	0.608	43%	0.432	S	S	*	.	H	α-helix	trans	-68.9	-35.2	178.1	-171.4	-176.3	-176.5	-165.5	5.2	113.2	M156 D157 R158 Q164	M156-R160 VanDerWaalsContact O-CB 3.29Å; M156-R160 WeakPolarHBondContact O-CB 3.44Å; M156-R160 PolarHBondContact O-N 3.33Å; M156-R160 VanDerWaalsContact O-N 3.09Å; D157-R160 WeakPolarHBondContact O-CB 3.33Å; D157-R160 PolarHBondContact O-N 2.92Å; D157-R160 VanDerWaalsContact O-N 3.16Å; R158-R160 PolarHBondContact O-N 3.18Å; R160-Q164 WeakPolarHBondContact O-CG 3.48Å; R160-Q164 PolarHBondContact O-N 2.84Å; R160-Q164 PolarHBondContact O-NE2 3.47Å
161	F	74.3	Confident	68	Low	73 Å²	73	96.8 Å²	96.8	32%	0.32	46%	0.463	S	S	.	.	H	α-helix	trans	-77.7	-39.6	175.6	-81.5	-69.4	0	0	0	111.9	Y136 D157 R158 F163 Q164 Q165	Y136-F161 AromaticContact CD1-CD2 3.82Å; Y136-F161 HydrophobicContact CD1-CD2 3.82Å; Y136-F161 AromaticContact CD1-CE2 3.96Å; Y136-F161 HydrophobicContact CD1-CE2 3.96Å; Y136-F161 HydrophobicContact CE1-CB 4.36Å; Y136-F161 AromaticContact CE1-CD2 3.23Å; Y136-F161 HydrophobicContact CE1-CD2 3.23Å; Y136-F161 AromaticContact CE1-CE2 3.6Å; Y136-F161 HydrophobicContact CE1-CE2 3.6Å; Y136-F161 AromaticContact CE1-CG 3.86Å; Y136-F161 HydrophobicContact CE1-CG 3.86Å; Y136-F161 HydrophobicContact CE1-CZ 4.45Å; Y136-F161 AromaticContact CZ-CD2 3.7Å; Y136-F161 AromaticContact CZ-CG 3.96Å; Y136-F161 WeakPolarHBondContact OH-CB 3.28Å; D157-F161 HydrophobicContact CB-CD2 4.36Å; D157-F161 HydrophobicContact CB-CE2 4.44Å; D157-F161 VanDerWaalsContact O-CD2 3.22Å; D157-F161 WeakPolarHBondContact O-CD2 3.48Å; D157-F161 PolarHBondContact O-N 3.09Å; R158-F161 PolarHBondContact O-N 3.1Å; R158-F161 VanDerWaalsContact O-N 3.08Å; F161-F163 VanDerWaalsContact C-N 3.33Å; F161-F163 PolarHBondContact O-N 3.44Å; F161-Q164 PolarHBondContact O-N 2.81Å; F161-Q164 VanDerWaalsContact O-N 3.15Å; F161-Q165 WeakPolarHBondContact O-CG 3.39Å; F161-Q165 PolarHBondContact O-N 3.43Å
162	D	70.8	Confident	65.3	Low	75 Å²	75	98.5 Å²	98.5	40%	0.401	48%	0.478	S	S	.	.	H	α-helix	trans	-61.7	-42	174.7	-67.7	-25.2	0	0	0	111.7	R158 Q164 Q165 R166	R158-D162 PolarHBondContact O-N 3.34Å; D162-Q164 PolarHBondContact O-N 3.09Å; D162-Q165 PolarHBondContact O-N 3.35Å; D162-R166 WeakPolarHBondContact O-CB 3.31Å; D162-R166 WeakPolarHBondContact O-CG 3.35Å; D162-R166 PolarHBondContact O-N 3.45Å
163	F	62.8	Low	62.7	Low	150 Å²	150	102.3 Å²	102.3	66%	0.658	49%	0.49	S	S	*	.	H	α-helix	trans	-61.5	-42.6	173	-171.8	-91.2	0	0	0	112	H159 F161 R166 S167	H159-F163 VanDerWaalsContact O-CB 3.31Å; H159-F163 WeakPolarHBondContact O-CB 3.48Å; H159-F163 PolarHBondContact O-N 3.06Å; F161-F163 VanDerWaalsContact C-N 3.33Å; F161-F163 PolarHBondContact O-N 3.44Å; F163-R166 PolarHBondContact O-N 3.41Å; F163-S167 WeakPolarHBondContact O-CB 3.36Å; F163-S167 PolarHBondContact O-N 2.87Å
164	Q	63.2	Low	60.3	Low	62 Å²	62	106.9 Å²	106.9	29%	0.29	51%	0.507	S	S	.	.	H	α-helix	trans	-67.4	-35.5	176.5	-80.6	178	69.5	0	0	113.4	R160 F161 D162 S167 R168	R160-Q164 WeakPolarHBondContact O-CG 3.48Å; R160-Q164 PolarHBondContact O-N 2.84Å; R160-Q164 PolarHBondContact O-NE2 3.47Å; F161-Q164 PolarHBondContact O-N 2.81Å; F161-Q164 VanDerWaalsContact O-N 3.15Å; D162-Q164 PolarHBondContact O-N 3.09Å; Q164-S167 PolarHBondContact O-N 3.17Å; Q164-S167 PolarHBondContact O-OG 3.07Å; Q164-S167 VanDerWaalsContact O-OG 3.12Å; Q164-R168 WeakPolarHBondContact O-CB 3.37Å; Q164-R168 VanDerWaalsContact O-CG 3.26Å; Q164-R168 WeakPolarHBondContact O-CG 3.08Å; Q164-R168 PolarHBondContact O-N 3.26Å
165	Q	57.1	Low	57.7	Low	122 Å²	122	114.9 Å²	114.9	57%	0.57	54%	0.542	S	S	*	.	H	α-helix	trans	-66.4	-46.5	173.7	-72.1	-169.1	70.1	0	0	110.8	F161 D162 S167 R168	F161-Q165 WeakPolarHBondContact O-CG 3.39Å; F161-Q165 PolarHBondContact O-N 3.43Å; D162-Q165 PolarHBondContact O-N 3.35Å; Q165-S167 PolarHBondContact O-N 2.86Å; Q165-R168 PolarHBondContact O-N 3.47Å; Q165-R168 VanDerWaalsContact O-N 3.1Å
166	R	43.6	Very low	55.1	Low	203 Å²	203	116.2 Å²	116.2	77%	0.766	56%	0.557	S	S	*	*	H	α-helix	trans	-58.4	-34.4	174.1	-70.8	176.7	-177.5	-156.6	0.8	112.5	D162 F163	D162-R166 WeakPolarHBondContact O-CB 3.31Å; D162-R166 WeakPolarHBondContact O-CG 3.35Å; D162-R166 PolarHBondContact O-N 3.45Å; F163-R166 PolarHBondContact O-N 3.41Å
167	S	45.1	Very low	52.9	Low	83 Å²	83	114.1 Å²	114.1	58%	0.58	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-6.6	178.2	83.8	0	0	0	0	115.1	F163 Q164 Q165	F163-S167 WeakPolarHBondContact O-CB 3.36Å; F163-S167 PolarHBondContact O-N 2.87Å; Q164-S167 PolarHBondContact O-N 3.17Å; Q164-S167 PolarHBondContact O-OG 3.07Å; Q164-S167 VanDerWaalsContact O-OG 3.12Å; Q165-S167 PolarHBondContact O-N 2.86Å
168	R	42.3	Very low	50.7	Low	153 Å²	153	119.7 Å²	119.7	58%	0.577	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	6.2	-174.6	-81	-174.8	-179.4	-148.6	10.8	114.9	Q164 Q165 P170 D217	Q164-R168 WeakPolarHBondContact O-CB 3.37Å; Q164-R168 VanDerWaalsContact O-CG 3.26Å; Q164-R168 WeakPolarHBondContact O-CG 3.08Å; Q164-R168 PolarHBondContact O-N 3.26Å; Q165-R168 PolarHBondContact O-N 3.47Å; Q165-R168 VanDerWaalsContact O-N 3.1Å; R168-P170 WeakPolarHBondContact O-CD 3.27Å; R168-P170 VanDerWaalsContact O-N 3.09Å; R168-D217 IonicContact CZ-OD2 2.69Å; R168-D217 IonicContact NH1-OD2 2.69Å; R168-D217 PolarHBondContact NH1-OD2 3.13Å
169	L	28.9	Very low	48.8	Very low	108 Å²	108	125.2 Å²	125.2	57%	0.565	61%	0.61	S	S	*	*			trans	-58.4	111.3	-179.3	-61.2	172	0	0	0	111.2	K171	L169-K171 HydrophobicContact CD2-CG 4.13Å
170	P	28	Very low	47.5	Very low	104 Å²	104	123.4 Å²	123.4	68%	0.675	61%	0.608	S	S	*	*				-92	144.3	99.9	-25.9	37	0	0	0	113.6	R168 S172	R168-P170 WeakPolarHBondContact O-CD 3.27Å; R168-P170 VanDerWaalsContact O-N 3.09Å; P170-S172 PolarHBondContact O-N 3.12Å; P170-S172 VanDerWaalsContact O-N 3.15Å
171	K	37.3	Very low	46.7	Very low	187 Å²	187	124.6 Å²	124.6	81%	0.813	62%	0.621	S	S	*	*			trans	-87.8	42.4	-177.7	-67.8	-177.3	176.3	-177.6	0	113.2	L169	L169-K171 HydrophobicContact CD2-CG 4.13Å
172	S	28.8	Very low	47.1	Very low	72 Å²	72	123.5 Å²	123.5	50%	0.503	62%	0.615	S	S	.	*			trans	-156.5	125.8	-178	51	0	0	0	0	107.7	P170	P170-S172 PolarHBondContact O-N 3.12Å; P170-S172 VanDerWaalsContact O-N 3.15Å
173	D	33.7	Very low	47.7	Very low	141 Å²	141	123.4 Å²	123.4	75%	0.754	62%	0.617	S	S	*	*	S	Bend	cis	-124.2	17.6	31.4	-80.7	-32.1	0	0	0	116.8	K175	D173-K175 PolarHBondContact O-N 3.29Å
174	F	41.7	Very low	48.8	Very low	167 Å²	167	119.9 Å²	119.9	73%	0.732	61%	0.61	S	S	*	*			trans	-74.7	56.1	161.5	-78.3	-84	0	0	0	111.4
175	K	34.8	Very low	50	Low	167 Å²	167	118.2 Å²	118.2	73%	0.726	60%	0.602	S	S	*	*			trans	-61.1	132.5	145.4	-74.5	-172.3	176.6	-176.2	0	106	D173 V177	D173-K175 PolarHBondContact O-N 3.29Å; K175-V177 PolarHBondContact O-N 2.61Å
176	S	35.5	Very low	51.5	Low	102 Å²	102	117.6 Å²	117.6	71%	0.713	61%	0.611	S	S	*	*			trans	-43.4	111.8	169.4	50	0	0	0	0	108.9	N178	S176-N178 PolarHBondContact O-N 2.89Å
177	V	43.3	Very low	53.9	Low	74 Å²	74	110.8 Å²	110.8	45%	0.448	59%	0.59	S	S	.	*			trans	-61.2	115.1	164.4	177.8	0	0	0	0	103.5	K175 M179	K175-V177 PolarHBondContact O-N 2.61Å; V177-M179 PolarHBondContact O-N 2.77Å
178	N	40.1	Very low	56.1	Low	135 Å²	135	110.6 Å²	110.6	72%	0.722	59%	0.588	S	S	*	*			trans	-45.2	117.1	178.4	-67.9	0.6	0	0	0	106.8	S176 V180	S176-N178 PolarHBondContact O-N 2.89Å; N178-V180 PolarHBondContact O-N 3.34Å
179	M	47.5	Very low	58.5	Low	157 Å²	157	104.2 Å²	104.2	77%	0.773	57%	0.566	S	S	*	*			trans	-65	95.3	-177	-73.3	-171.6	77	0	0	106.8	V177 E181 D253	V177-M179 PolarHBondContact O-N 2.77Å; M179-E181 PolarHBondContact O-N 2.88Å; M179-D253 HydrophobicContact CE-CB 4.3Å
180	V	55.3	Low	61.4	Low	95 Å²	95	105.8 Å²	105.8	58%	0.576	58%	0.575	S	S	*	*			trans	-66.1	108.5	174.5	179.9	0	0	0	0	104.3	N178 R182	N178-V180 PolarHBondContact O-N 3.34Å; V180-R182 PolarHBondContact O-N 2.85Å
181	E	66.3	Low	64.3	Low	187 Å²	187	101.9 Å²	101.9	87%	0.874	55%	0.548	S	S	*	.			trans	-48.1	106.8	179.5	-172.2	172.1	-149.7	0	0	108.7	M179	M179-E181 PolarHBondContact O-N 2.88Å
182	R	83.2	Confident	66.5	Low	50 Å²	50	94.3 Å²	94.3	19%	0.189	52%	0.518	C	S	.	.			trans	-101.5	143.4	-174.4	69.1	-177	-174.5	83.8	-4.4	108.4	S111 D122 V180 C184 D253	S111-R182 WeakPolarHBondContact O-CA 3.47Å; D122-R182 VanDerWaalsContact CG-NH1 3.25Å; D122-R182 IonicContact OD1-CZ 3.62Å; D122-R182 VanDerWaalsContact OD1-CZ 3.24Å; D122-R182 IonicContact OD1-NH1 2.77Å; D122-R182 PolarHBondContact OD1-NH1 3.38Å; D122-R182 IonicContact OD1-NH2 2.84Å; D122-R182 PolarHBondContact OD1-NH2 2.92Å; D122-R182 IonicContact OD2-CZ 3.43Å; D122-R182 IonicContact OD2-NH1 2.88Å; D122-R182 PolarHBondContact OD2-NH1 3.45Å; V180-R182 PolarHBondContact O-N 2.85Å; R182-C184 VanDerWaalsContact CZ-SG 3.54Å; R182-C184 PolarHBondContact NH1-SG 3.11Å; R182-C184 VanDerWaalsContact NH1-SG 3.4Å; R182-C184 PolarHBondContact O-N 2.96Å; R182-C184 PolarHBondContact O-SG 3.32Å; R182-C184 VanDerWaalsContact O-SG 3.41Å; R182-D253 IonicContact CZ-OD1 2.67Å; R182-D253 VanDerWaalsContact CZ-OD1 3.25Å; R182-D253 IonicContact NE-OD1 3.7Å; R182-D253 PolarHBondContact NE-OD1 2.88Å; R182-D253 IonicContact NH2-OD1 3.58Å; R182-D253 PolarHBondContact NH2-OD1 2.97Å; R182-D253 IonicContact NH2-OD2 3.51Å
183	T	83.5	Confident	68.7	Low	73 Å²	73	100.8 Å²	100.8	45%	0.448	53%	0.532	S	S	.	.			trans	-63.9	135.8	164.1	43.6	0	0	0	0	108.4	S111 K112 P114	S111-T183 PolarHBondContact O-N 2.93Å; K112-T183 PolarHBondContact O-OG1 3.01Å; P114-T183 WeakPolarHBondContact CD-OG1 3.39Å
184	C	85.3	Confident	71.2	Confident	76 Å²	76	99.6 Å²	99.6	51%	0.514	52%	0.52	S	S	.	.			trans	-119.2	147.2	-178.9	-58.3	0	0	0	0	108.9	D122 R182	D122-C184 VanDerWaalsContact OD2-CA 3.27Å; D122-C184 WeakPolarHBondContact OD2-CA 3.34Å; R182-C184 VanDerWaalsContact CZ-SG 3.54Å; R182-C184 PolarHBondContact NH1-SG 3.11Å; R182-C184 VanDerWaalsContact NH1-SG 3.4Å; R182-C184 PolarHBondContact O-N 2.96Å; R182-C184 PolarHBondContact O-SG 3.32Å; R182-C184 VanDerWaalsContact O-SG 3.41Å
185	E	88.6	Confident	73.5	Confident	26 Å²	26	91.8 Å²	91.8	12%	0.121	49%	0.486	C	S	.	.			trans	-69.5	140.2	166.5	-69.5	-66.6	167.6	0	0	110.5	F74 R119 D122 V123 N126	F74-E185 HydrophobicContact CD1-CG 4.41Å; F74-E185 HydrophobicContact CE1-CG 4.08Å; R119-E185 HydrophobicContact CB-CG 3.63Å; R119-E185 VanDerWaalsContact CD-OE1 3.25Å; R119-E185 WeakPolarHBondContact CD-OE1 3.33Å; R119-E185 HydrophobicContact CG-CG 3.81Å; R119-E185 WeakPolarHBondContact CG-OE1 3.3Å; R119-E185 IonicContact CZ-OE1 3.9Å; R119-E185 IonicContact NE-OE1 3.6Å; R119-E185 IonicContact NH1-OE1 3.24Å; R119-E185 PolarHBondContact NH1-OE1 3.11Å; D122-E185 HydrophobicContact CB-CB 3.78Å; D122-E185 HydrophobicContact CB-CG 4.46Å; D122-E185 PolarHBondContact OD2-N 3.25Å; V123-E185 HydrophobicContact CG2-CB 3.86Å; V123-E185 HydrophobicContact CG2-CG 4.12Å; N126-E185 PolarHBondContact ND2-O 3.43Å
186	S	89.3	Confident	76.3	Confident	110 Å²	110	84.3 Å²	84.3	77%	0.769	45%	0.454	S	S	*	.			trans	-98.6	-5.9	170.3	57.5	0	0	0	0	113.1
187	I	92.5	Very high	79.2	Confident	60 Å²	60	79.5 Å²	79.5	31%	0.308	42%	0.42	S	S	.	.			trans	-67.9	135.3	-177.3	-56.8	170.4	0	0	0	109.9	F79 V123 N126	F79-I187 HydrophobicContact CD2-CG2 4.49Å; F79-I187 HydrophobicContact CE2-CG2 3.62Å; F79-I187 HydrophobicContact CZ-CG2 4.1Å; V123-I187 HydrophobicContact CG2-CB 3.98Å; V123-I187 HydrophobicContact CG2-CG2 4.45Å; N126-I187 WeakPolarHBondContact CB-O 3.48Å; N126-I187 PolarHBondContact ND2-O 3.43Å
188	S	92.1	Very high	81.7	Confident	79 Å²	79	76 Å²	76	55%	0.552	40%	0.399	S	S	*	.			trans	-124.6	155.7	167.2	61.6	0	0	0	0	110.4
189	V	92.1	Very high	84.5	Confident	19 Å²	19	69.5 Å²	69.5	12%	0.115	36%	0.364	C	S	.	.			trans	-120	140.5	-178.3	178.5	0	0	0	0	108.5	F79 T83 L86 V123 S127 I191	F79-V189 HydrophobicContact CE2-CG2 3.7Å; F79-V189 HydrophobicContact CZ-CG2 3.9Å; T83-V189 HydrophobicContact CG2-CG1 4.11Å; L86-V189 HydrophobicContact CD1-CB 3.91Å; L86-V189 HydrophobicContact CD1-CG1 4.39Å; L86-V189 HydrophobicContact CD1-CG2 4.16Å; V123-V189 HydrophobicContact CG1-CG2 3.97Å; S127-V189 PolarHBondContact OG-N 2.92Å; V189-I191 PolarHBondContact O-N 3Å
190	N	90.8	Very high	86.9	Confident	140 Å²	140	62.2 Å²	62.2	75%	0.749	33%	0.328	S	S	*	.			trans	-61.3	122.9	174.7	-170.3	-56.7	0	0	0	110	H87	H87-N190 PolarHBondContact CE1-O 3.45Å
191	I	88.8	Confident	88.9	Confident	22 Å²	22	57.8 Å²	57.8	11%	0.113	30%	0.301	C	S	.	.			trans	-105.4	151.2	179.9	48.4	155.3	0	0	0	111.6	L86 S127 F131 V189 W193 F197	L86-I191 HydrophobicContact CD2-CG2 4.38Å; S127-I191 VanDerWaalsContact O-CD1 3.28Å; S127-I191 WeakPolarHBondContact O-CD1 3.34Å; S127-I191 WeakPolarHBondContact O-CG1 3.24Å; F131-I191 HydrophobicContact CB-CD1 4.31Å; F131-I191 HydrophobicContact CD2-CD1 3.8Å; F131-I191 HydrophobicContact CG-CD1 4.3Å; V189-I191 PolarHBondContact O-N 3Å; I191-W193 PolarHBondContact O-N 3.26Å; I191-F197 HydrophobicContact CB-CE2 4.43Å; I191-F197 HydrophobicContact CB-CZ 4.28Å; I191-F197 HydrophobicContact CD1-CD2 4.3Å; I191-F197 HydrophobicContact CD1-CE2 3.65Å; I191-F197 HydrophobicContact CD1-CZ 4.34Å
192	P	83.2	Confident	90.3	Very high	28 Å²	28	49.5 Å²	49.5	18%	0.182	26%	0.264	C	S	.	.			trans	-56.4	122	178.1	-27.6	35.9	0	0	0	113.8	S195 R290	P192-S195 WeakPolarHBondContact O-CB 3.34Å; P192-S195 PolarHBondContact O-OG 3.22Å; P192-R290 VanDerWaalsContact CB-CZ 3.41Å; P192-R290 VanDerWaalsContact CB-NH2 3.35Å
193	W	76	Confident	90.9	Very high	208 Å²	208	47.1 Å²	47.1	79%	0.788	26%	0.255	S	S	*	.	S	Bend	trans	-51.9	158.5	174.8	68.6	-64.4	0	0	0	113.9	I191 S195	I191-W193 PolarHBondContact O-N 3.26Å; W193-S195 VanDerWaalsContact C-N 3.28Å; W193-S195 PolarHBondContact O-N 3.16Å; W193-S195 PolarHBondContact O-OG 3.09Å; W193-S195 VanDerWaalsContact O-OG 3.04Å
194	K	84.5	Confident	91.5	Very high	117 Å²	117	43.9 Å²	43.9	51%	0.509	24%	0.235	S	C	.	.	S	Bend	trans	47.3	45.9	-178.4	-71	-172.2	176.2	-169.5	0	114.1	Y293 T295	K194-Y293 VanDerWaalsContact C-CB 3.47Å; K194-Y293 PolarHBondContact O-N 3.13Å; K194-Y293 VanDerWaalsContact O-N 3.13Å; K194-T295 HydrophobicContact CG-CG2 4.46Å
195	S	90.6	Very high	91.8	Very high	3 Å²	3	41 Å²	41	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	141.6	177.7	-47.4	0	0	0	0	110.5	P192 W193 R290 T291	P192-S195 WeakPolarHBondContact O-CB 3.34Å; P192-S195 PolarHBondContact O-OG 3.22Å; W193-S195 VanDerWaalsContact C-N 3.28Å; W193-S195 PolarHBondContact O-N 3.16Å; W193-S195 PolarHBondContact O-OG 3.09Å; W193-S195 VanDerWaalsContact O-OG 3.04Å; S195-R290 VanDerWaalsContact OG-CZ 3.3Å; S195-R290 PolarHBondContact OG-NE 2.91Å; S195-R290 PolarHBondContact OG-NH2 3.11Å; S195-T291 VanDerWaalsContact CA-O 3.26Å; S195-T291 WeakPolarHBondContact CA-O 3.33Å
196	L	94.1	Very high	92	Very high	10 Å²	10	40 Å²	40	5%	0.052	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	155.8	165.1	-67.7	-179.8	0	0	0	110.1	F131 T133 R290 T291 Y293 A300	F131-L196 HydrophobicContact CB-CD2 4.34Å; F131-L196 CarbonylContact O-C 3.55Å; F131-L196 WeakPolarHBondContact O-CA 3.32Å; T133-L196 HydrophobicContact CG2-CB 3.73Å; T133-L196 HydrophobicContact CG2-CD1 4.38Å; L196-R290 WeakPolarHBondContact O-CA 3.46Å; L196-T291 PolarHBondContact N-O 3.49Å; L196-T291 VanDerWaalsContact N-O 3.15Å; L196-T291 PolarHBondContact O-N 3.33Å; L196-Y293 HydrophobicContact CD1-CD2 3.59Å; L196-Y293 HydrophobicContact CD1-CE2 4.04Å; L196-Y293 HydrophobicContact CD1-CG 4.4Å; L196-Y293 HydrophobicContact CD2-CD1 4.48Å; L196-Y293 HydrophobicContact CD2-CD2 3.82Å; L196-Y293 HydrophobicContact CD2-CE2 4.02Å; L196-Y293 HydrophobicContact CD2-CG 4.08Å; L196-Y293 HydrophobicContact CG-CD2 3.49Å; L196-Y293 VanDerWaalsContact CG-CD2 3.49Å; L196-Y293 HydrophobicContact CG-CE2 4.13Å; L196-Y293 HydrophobicContact CG-CG 3.81Å; L196-A300 HydrophobicContact CD1-CB 4.23Å
197	F	96	Very high	91.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	140.9	-171.8	-63.3	-86.9	0	0	0	112.4	I128 F131 Q132 T133 I191 L288 V289 R290	I128-F197 HydrophobicContact CB-CB 4.26Å; I128-F197 HydrophobicContact CB-CD2 4.32Å; I128-F197 HydrophobicContact CB-CG 4.38Å; I128-F197 HydrophobicContact CD1-CB 4.49Å; I128-F197 HydrophobicContact CG2-CB 3.99Å; I128-F197 HydrophobicContact CG2-CD1 4.28Å; I128-F197 HydrophobicContact CG2-CD2 4.05Å; I128-F197 HydrophobicContact CG2-CG 3.84Å; F131-F197 HydrophobicContact CB-CD2 4.21Å; F131-F197 WeakPolarHBondContact O-CD2 3.43Å; F131-F197 PolarHBondContact O-N 3.15Å; Q132-F197 CarbonylContact C-O 3.55Å; Q132-F197 VanDerWaalsContact CA-O 3.28Å; Q132-F197 WeakPolarHBondContact CA-O 3.47Å; T133-F197 PolarHBondContact N-O 3.13Å; I191-F197 HydrophobicContact CB-CE2 4.43Å; I191-F197 HydrophobicContact CB-CZ 4.28Å; I191-F197 HydrophobicContact CD1-CD2 4.3Å; I191-F197 HydrophobicContact CD1-CE2 3.65Å; I191-F197 HydrophobicContact CD1-CZ 4.34Å; F197-L288 HydrophobicContact CB-CD1 3.98Å; F197-L288 HydrophobicContact CD1-CD1 3.73Å; F197-L288 HydrophobicContact CD1-CD2 3.92Å; F197-L288 HydrophobicContact CD1-CG 3.85Å; F197-L288 HydrophobicContact CE1-CD2 4.13Å; F197-L288 HydrophobicContact CE1-CG 4.49Å; F197-L288 HydrophobicContact CG-CD1 4.25Å; F197-V289 CarbonylContact C-O 3.56Å; F197-V289 WeakPolarHBondContact CA-O 3.01Å; F197-R290 HydrophobicContact CD1-CB 3.94Å; F197-R290 HydrophobicContact CD1-CG 4.12Å; F197-R290 HydrophobicContact CE1-CB 3.75Å; F197-R290 HydrophobicContact CE1-CG 3.56Å; F197-R290 HydrophobicContact CZ-CG 3.99Å
198	A	96.6	Very high	91.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.3	166.8	0	0	0	0	0	109.7	V138 F200 V289	V138-A198 HydrophobicContact CB-CB 3.8Å; V138-A198 HydrophobicContact CG1-CB 4.2Å; V138-A198 HydrophobicContact CG2-CB 3.73Å; A198-F200 HydrophobicContact CB-CD2 4.39Å; A198-F200 HydrophobicContact CB-CE2 3.8Å; A198-V289 HydrophobicContact CB-CB 4.36Å; A198-V289 PolarHBondContact N-O 3.08Å; A198-V289 PolarHBondContact O-N 2.89Å
199	V	97.7	Very high	91.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.7	179.4	-175.4	0	0	0	0	109	I124 F125 I128 E248 V249 I286 L288	I124-V199 HydrophobicContact CG2-CG2 4.25Å; F125-V199 HydrophobicContact CE1-CB 4.36Å; F125-V199 HydrophobicContact CE1-CG2 4.07Å; F125-V199 HydrophobicContact CE2-CG1 4.34Å; F125-V199 HydrophobicContact CZ-CB 3.9Å; F125-V199 HydrophobicContact CZ-CG1 4.01Å; F125-V199 HydrophobicContact CZ-CG2 3.98Å; I128-V199 HydrophobicContact CD1-CG2 3.52Å; V199-E248 WeakPolarHBondContact O-CA 3.34Å; V199-V249 HydrophobicContact CB-CG2 3.97Å; V199-V249 HydrophobicContact CG1-CG2 3.69Å; V199-V249 WeakPolarHBondContact O-CG2 3.3Å; V199-V249 PolarHBondContact O-N 3.06Å; V199-I286 HydrophobicContact CG1-CG2 3.67Å; V199-L288 HydrophobicContact CG2-CD1 3.92Å
200	F	97.7	Very high	91.2	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.018	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139.9	174.2	-73.1	-95.9	0	0	0	110.4	V138 P140 F146 A198 V247 E248 I286 R287 V289	V138-F200 HydrophobicContact CB-CE2 4.07Å; V138-F200 HydrophobicContact CB-CZ 4.26Å; V138-F200 HydrophobicContact CG1-CE2 3.67Å; V138-F200 HydrophobicContact CG1-CZ 4.08Å; P140-F200 HydrophobicContact CG-CD1 4.12Å; P140-F200 HydrophobicContact CG-CE1 3.87Å; F146-F200 HydrophobicContact CD1-CD2 4.11Å; F146-F200 AromaticContact CD1-CE2 3.9Å; F146-F200 HydrophobicContact CD1-CE2 3.9Å; F146-F200 HydrophobicContact CD1-CZ 4.12Å; F146-F200 HydrophobicContact CE1-CB 4.14Å; F146-F200 AromaticContact CE1-CD1 3.76Å; F146-F200 HydrophobicContact CE1-CD1 3.76Å; F146-F200 AromaticContact CE1-CD2 3.38Å; F146-F200 HydrophobicContact CE1-CD2 3.38Å; F146-F200 AromaticContact CE1-CE1 3.96Å; F146-F200 HydrophobicContact CE1-CE1 3.96Å; F146-F200 AromaticContact CE1-CE2 3.61Å; F146-F200 HydrophobicContact CE1-CE2 3.61Å; F146-F200 AromaticContact CE1-CG 3.47Å; F146-F200 HydrophobicContact CE1-CG 3.47Å; F146-F200 VanDerWaalsContact CE1-CG 3.47Å; F146-F200 AromaticContact CE1-CZ 3.9Å; F146-F200 HydrophobicContact CE1-CZ 3.9Å; F146-F200 HydrophobicContact CZ-CB 4Å; F146-F200 HydrophobicContact CZ-CD1 4.46Å; F146-F200 AromaticContact CZ-CD2 3.78Å; F146-F200 HydrophobicContact CZ-CD2 3.78Å; F146-F200 HydrophobicContact CZ-CE2 4.4Å; F146-F200 AromaticContact CZ-CG 3.82Å; F146-F200 HydrophobicContact CZ-CG 3.82Å; A198-F200 HydrophobicContact CB-CD2 4.39Å; A198-F200 HydrophobicContact CB-CE2 3.8Å; F200-V247 CarbonylContact C-O 3.55Å; F200-V247 VanDerWaalsContact CA-O 3.28Å; F200-V247 WeakPolarHBondContact CA-O 3.47Å; F200-E248 HydrophobicContact CD1-CB 4.03Å; F200-E248 HydrophobicContact CE1-CB 3.53Å; F200-E248 HydrophobicContact CE1-CG 4.08Å; F200-E248 HydrophobicContact CE2-CG 4.22Å; F200-E248 HydrophobicContact CZ-CB 3.82Å; F200-E248 HydrophobicContact CZ-CG 3.83Å; F200-I286 CarbonylContact O-C 3.52Å; F200-I286 WeakPolarHBondContact O-CA 3.12Å; F200-R287 HydrophobicContact CB-CB 4.37Å; F200-R287 PolarHBondContact N-O 2.95Å; F200-R287 PolarHBondContact O-N 2.88Å; F200-V289 HydrophobicContact CD2-CG2 4.06Å; F200-V289 HydrophobicContact CE2-CG2 4.24Å
201	V	97.5	Very high	91.3	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.7	176	-64.8	0	0	0	0	111.8	E246 V247 V249 A255 L258 F284 T285 I286	V201-E246 WeakPolarHBondContact O-CA 3.42Å; V201-V247 HydrophobicContact CG2-CB 4.38Å; V201-V247 PolarHBondContact N-O 3.39Å; V201-V247 PolarHBondContact O-N 3.1Å; V201-V249 HydrophobicContact CG1-CG2 3.9Å; V201-V249 HydrophobicContact CG2-CG1 3.8Å; V201-V249 HydrophobicContact CG2-CG2 4.25Å; V201-A255 HydrophobicContact CG1-CB 4.23Å; V201-L258 HydrophobicContact CG2-CD1 3.78Å; V201-F284 HydrophobicContact CB-CE2 3.91Å; V201-F284 HydrophobicContact CB-CZ 4.04Å; V201-F284 HydrophobicContact CG1-CE2 4.13Å; V201-F284 HydrophobicContact CG1-CZ 3.73Å; V201-T285 WeakPolarHBondContact CA-O 3.42Å; V201-I286 HydrophobicContact CG1-CG1 4.32Å; V201-I286 HydrophobicContact CG1-CG2 4.42Å
202	S	95.9	Very high	91.4	Very high	13 Å²	13	29.2 Å²	29.2	9%	0.091	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	147	166.5	64.5	0	0	0	0	110.2	V245 T285	S202-V245 WeakPolarHBondContact CB-O 3.4Å; S202-T285 PolarHBondContact N-O 3.39Å; S202-T285 PolarHBondContact O-N 3.34Å
203	L	96.4	Very high	91.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	113.4	-178.5	-177.9	57	0	0	0	109.8	L214 L215 F259 F284	L203-L214 HydrophobicContact CB-CB 4.41Å; L203-L214 HydrophobicContact CD2-CB 4.29Å; L203-L214 HydrophobicContact CD2-CD1 4.31Å; L203-L214 HydrophobicContact CG-CB 4.02Å; L203-L214 HydrophobicContact CG-CD1 3.96Å; L203-L214 WeakPolarHBondContact O-CB 3.49Å; L203-L214 PolarHBondContact O-N 3.14Å; L203-L215 HydrophobicContact CB-CD1 4.41Å; L203-L215 HydrophobicContact CB-CD2 4.1Å; L203-L215 HydrophobicContact CB-CG 3.99Å; L203-F259 HydrophobicContact CD1-CD2 4.01Å; L203-F259 HydrophobicContact CD1-CE2 3.97Å; L203-F259 HydrophobicContact CD2-CD2 3.82Å; L203-F259 HydrophobicContact CD2-CE2 4.31Å; L203-F259 HydrophobicContact CD2-CG 4.49Å; L203-F284 HydrophobicContact CB-CD2 4.22Å; L203-F284 HydrophobicContact CD1-CB 4.04Å; L203-F284 HydrophobicContact CD1-CD2 4.07Å
204	I	95.2	Very high	92.6	Very high	5 Å²	5	18 Å²	18	3%	0.026	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134	-167.9	-61.5	-60	0	0	0	109.7	I211 Y212 D213 V241 V283	I204-I211 HydrophobicContact CG2-CG2 3.47Å; I204-I211 VanDerWaalsContact CG2-CG2 3.47Å; I204-Y212 WeakPolarHBondContact CA-O 3.46Å; I204-D213 HydrophobicContact CD1-CB 4.17Å; I204-V241 HydrophobicContact CD1-CB 4.49Å; I204-V241 HydrophobicContact CD1-CG1 4.15Å; I204-V241 HydrophobicContact CD1-CG2 4.31Å; I204-V241 HydrophobicContact CG1-CG2 4.25Å; I204-V241 HydrophobicContact CG2-CG2 4.41Å; I204-V283 HydrophobicContact CB-CB 4.24Å; I204-V283 PolarHBondContact N-O 3.28Å; I204-V283 PolarHBondContact O-N 2.89Å
205	E	93.1	Very high	92.9	Very high	15 Å²	15	13.1 Å²	13.1	7%	0.07	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127.5	171.9	-179.9	176.9	-133.5	0	0	110.6	I211 Y212 L214 R266 S280	E205-I211 WeakPolarHBondContact O-CA 3.27Å; E205-Y212 PolarHBondContact N-O 2.75Å; E205-Y212 PolarHBondContact O-N 3.17Å; E205-L214 HydrophobicContact CB-CD1 4.01Å; E205-L214 HydrophobicContact CB-CD2 4.19Å; E205-L214 HydrophobicContact CB-CG 4.08Å; E205-R266 VanDerWaalsContact OE1-CG 3.3Å; E205-R266 WeakPolarHBondContact OE1-CG 3.2Å; E205-R266 IonicContact OE1-NE 3.66Å; E205-S280 WeakPolarHBondContact OE1-CB 3.48Å; E205-S280 PolarHBondContact OE1-OG 3.24Å
206	V	92.1	Very high	92.8	Very high	5 Å²	5	14.4 Å²	14.4	3%	0.03	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	96.1	168.1	-172	0	0	0	0	108.9	S210 I211 H281 V283 R383 L384	V206-S210 WeakPolarHBondContact CA-O 3.31Å; V206-I211 HydrophobicContact CG2-CG1 4.48Å; V206-H281 HydrophobicContact CB-CB 4.23Å; V206-H281 PolarHBondContact N-O 3.04Å; V206-H281 PolarHBondContact O-CD2 3.25Å; V206-H281 PolarHBondContact O-N 2.83Å; V206-H281 VanDerWaalsContact O-N 3.11Å; V206-V283 HydrophobicContact CG2-CG2 4.41Å; V206-R383 HydrophobicContact CG1-CB 4.2Å; V206-L384 HydrophobicContact CB-CD1 4.46Å; V206-L384 HydrophobicContact CG1-CB 4.41Å; V206-L384 HydrophobicContact CG2-CD1 4.41Å
207	Y	87.2	Confident	92	Very high	55 Å²	55	18.2 Å²	18.2	22%	0.216	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.1	179.6	176.6	-121.4	0	0	0	110.7	N209 S210 Y212 R279 E335	Y207-N209 VanDerWaalsContact C-N 3.33Å; Y207-N209 PolarHBondContact O-N 3.05Å; Y207-S210 PolarHBondContact N-O 3.19Å; Y207-S210 VanDerWaalsContact N-O 3.16Å; Y207-S210 CarbonylContact O-C 3.49Å; Y207-S210 WeakPolarHBondContact O-CA 3.33Å; Y207-S210 WeakPolarHBondContact O-CB 3.33Å; Y207-S210 PolarHBondContact O-N 3.18Å; Y207-S210 VanDerWaalsContact O-O 3.11Å; Y207-Y212 HydrophobicContact CD1-CE2 4.24Å; Y207-R279 WeakPolarHBondContact CD2-O 3.31Å; Y207-E335 HydrophobicContact CE2-CG 3.83Å; Y207-E335 VanDerWaalsContact OH-CD 3.29Å; Y207-E335 PolarHBondContact OH-OE2 3.41Å
208	N	83.5	Confident	90.7	Very high	59 Å²	59	20.1 Å²	20.1	32%	0.316	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	50	175.9	-163.6	16.2	0	0	0	114.1	S210 N338	N208-S210 PolarHBondContact O-N 2.89Å; N208-S210 PolarHBondContact O-OG 2.86Å; N208-N338 WeakPolarHBondContact OD1-CB 3.45Å; N208-N338 PolarHBondContact OD1-ND2 3.49Å
209	N	87.8	Confident	89	Confident	26 Å²	26	22 Å²	22	14%	0.139	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	36.2	-175.3	-156.6	10.5	0	0	0	114.1	Y207 R383 R866	Y207-N209 VanDerWaalsContact C-N 3.33Å; Y207-N209 PolarHBondContact O-N 3.05Å; N209-R383 WeakPolarHBondContact OD1-CG 3.34Å; N209-R383 PolarHBondContact OD1-N 2.84Å; N209-R866 PolarHBondContact O-NH2 2.89Å
210	S	89.7	Confident	87	Confident	13 Å²	13	29.1 Å²	29.1	9%	0.091	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	161.9	178.7	-51.1	0	0	0	0	108.2	V206 Y207 N208 R866	V206-S210 WeakPolarHBondContact CA-O 3.31Å; Y207-S210 PolarHBondContact N-O 3.19Å; Y207-S210 VanDerWaalsContact N-O 3.16Å; Y207-S210 CarbonylContact O-C 3.49Å; Y207-S210 WeakPolarHBondContact O-CA 3.33Å; Y207-S210 WeakPolarHBondContact O-CB 3.33Å; Y207-S210 PolarHBondContact O-N 3.18Å; Y207-S210 VanDerWaalsContact O-O 3.11Å; N208-S210 PolarHBondContact O-N 2.89Å; N208-S210 PolarHBondContact O-OG 2.86Å; S210-R866 PolarHBondContact OG-NH2 2.86Å
211	I	92.5	Very high	84.7	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129.7	-176.3	-57.2	-173.2	0	0	0	109.2	I204 E205 V206 T228 R229 L231 V241 R383	I204-I211 HydrophobicContact CG2-CG2 3.47Å; I204-I211 VanDerWaalsContact CG2-CG2 3.47Å; E205-I211 WeakPolarHBondContact O-CA 3.27Å; V206-I211 HydrophobicContact CG2-CG1 4.48Å; I211-T228 CarbonylContact O-C 3.57Å; I211-T228 WeakPolarHBondContact O-CA 3.43Å; I211-R229 HydrophobicContact CB-CB 4.5Å; I211-R229 HydrophobicContact CG2-CB 4.24Å; I211-R229 PolarHBondContact O-N 2.85Å; I211-L231 HydrophobicContact CD1-CD1 3.73Å; I211-L231 HydrophobicContact CD1-CD2 3.52Å; I211-L231 HydrophobicContact CD1-CG 3.43Å; I211-L231 VanDerWaalsContact CD1-CG 3.43Å; I211-V241 HydrophobicContact CG2-CG1 4.29Å; I211-V241 HydrophobicContact CG2-CG2 4.43Å; I211-R383 HydrophobicContact CD1-CB 4.11Å; I211-R383 HydrophobicContact CD1-CG 4.38Å; I211-R383 HydrophobicContact CG1-CB 4.05Å; I211-R383 HydrophobicContact CG1-CG 4.21Å
212	Y	91.8	Very high	82.4	Confident	49 Å²	49	40.6 Å²	40.6	19%	0.192	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	150.8	177.1	-55.1	-89.5	0	0	0	109.5	I204 E205 Y207 L226 T228	I204-Y212 WeakPolarHBondContact CA-O 3.46Å; E205-Y212 PolarHBondContact N-O 2.75Å; E205-Y212 PolarHBondContact O-N 3.17Å; Y207-Y212 HydrophobicContact CD1-CE2 4.24Å; Y212-L226 HydrophobicContact CD1-CB 4.04Å; Y212-T228 HydrophobicContact CD1-CG2 4.29Å; Y212-T228 HydrophobicContact CE1-CG2 3.58Å
213	D	92.5	Very high	80.4	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	109.1	-177.1	169.7	-0.7	0	0	0	108.1	I204 L215 Q216 L226 R229 G244 V245	I204-D213 HydrophobicContact CD1-CB 4.17Å; D213-L215 PolarHBondContact O-N 3.15Å; D213-L215 PolarHBondContact OD1-N 3.38Å; D213-Q216 HydrophobicContact CB-CB 4.28Å; D213-Q216 WeakPolarHBondContact O-CB 3.28Å; D213-Q216 PolarHBondContact O-N 3.12Å; D213-Q216 PolarHBondContact OD1-N 3.24Å; D213-Q216 VanDerWaalsContact OD1-N 3.14Å; D213-L226 WeakPolarHBondContact O-CD2 3.49Å; D213-R229 HydrophobicContact CB-CG 3.82Å; D213-R229 IonicContact OD2-CZ 3.53Å; D213-R229 VanDerWaalsContact OD2-CZ 3.3Å; D213-R229 IonicContact OD2-NE 2.7Å; D213-R229 PolarHBondContact OD2-NE 3.27Å; D213-R229 VanDerWaalsContact OD2-NE 3.13Å; D213-R229 IonicContact OD2-NH2 2.61Å; D213-R229 PolarHBondContact OD2-NH2 3.1Å; D213-G244 WeakPolarHBondContact OD2-CA 2.99Å; D213-V245 PolarHBondContact OD2-N 3Å
214	L	92	Very high	78.6	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-5.4	-173.9	-60.1	178.5	0	0	0	112.5	L203 E205 L226 R265 R266	L203-L214 HydrophobicContact CB-CB 4.41Å; L203-L214 HydrophobicContact CD2-CB 4.29Å; L203-L214 HydrophobicContact CD2-CD1 4.31Å; L203-L214 HydrophobicContact CG-CB 4.02Å; L203-L214 HydrophobicContact CG-CD1 3.96Å; L203-L214 WeakPolarHBondContact O-CB 3.49Å; L203-L214 PolarHBondContact O-N 3.14Å; E205-L214 HydrophobicContact CB-CD1 4.01Å; E205-L214 HydrophobicContact CB-CD2 4.19Å; E205-L214 HydrophobicContact CB-CG 4.08Å; L214-L226 HydrophobicContact CD2-CD1 3.92Å; L214-R265 WeakPolarHBondContact O-CD 3.31Å; L214-R265 PolarHBondContact O-NH1 2.8Å; L214-R266 HydrophobicContact CD1-CB 3.95Å; L214-R266 HydrophobicContact CD1-CG 4.18Å; L214-R266 HydrophobicContact CD2-CB 4.16Å
215	L	91.4	Very high	77.3	Confident	15 Å²	15	56.1 Å²	56.1	8%	0.079	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	2.7	171.1	-54.4	-171.8	0	0	0	112.7	L203 D213 D217 V245 V247 L258	L203-L215 HydrophobicContact CB-CD1 4.41Å; L203-L215 HydrophobicContact CB-CD2 4.1Å; L203-L215 HydrophobicContact CB-CG 3.99Å; D213-L215 PolarHBondContact O-N 3.15Å; D213-L215 PolarHBondContact OD1-N 3.38Å; L215-D217 PolarHBondContact O-N 2.91Å; L215-V245 HydrophobicContact CB-CB 4.12Å; L215-V245 HydrophobicContact CB-CG1 4.16Å; L215-V247 HydrophobicContact CD1-CG2 3.89Å; L215-L258 HydrophobicContact CD2-CB 4.32Å
216	Q	87.1	Confident	76.6	Confident	30 Å²	30	57.4 Å²	57.4	14%	0.14	32%	0.315	C	S	.	.			trans	-57.2	127	174.7	-179.7	171.8	3.3	0	0	111.5	D213 V218 L226 T227	D213-Q216 HydrophobicContact CB-CB 4.28Å; D213-Q216 WeakPolarHBondContact O-CB 3.28Å; D213-Q216 PolarHBondContact O-N 3.12Å; D213-Q216 PolarHBondContact OD1-N 3.24Å; D213-Q216 VanDerWaalsContact OD1-N 3.14Å; Q216-V218 HydrophobicContact CB-CG2 4.45Å; Q216-V218 HydrophobicContact CG-CG2 4.09Å; Q216-V218 PolarHBondContact O-N 3.25Å; Q216-L226 HydrophobicContact CB-CD2 4.29Å; Q216-T227 PolarHBondContact NE2-OG1 3.44Å; Q216-T227 VanDerWaalsContact OE1-N 3.17Å; Q216-T227 PolarHBondContact OE1-OG1 3.35Å
217	D	78.3	Confident	76.1	Confident	91 Å²	91	60.1 Å²	60.1	49%	0.487	33%	0.332	S	S	.	.			trans	-59.2	100.3	163.6	176.3	-6.8	0	0	0	108.8	R168 L215 S219	R168-D217 IonicContact CZ-OD2 2.69Å; R168-D217 IonicContact NH1-OD2 2.69Å; R168-D217 PolarHBondContact NH1-OD2 3.13Å; L215-D217 PolarHBondContact O-N 2.91Å; D217-S219 PolarHBondContact OD1-N 3.04Å
218	V	69.1	Low	76.2	Confident	39 Å²	39	60.5 Å²	60.5	24%	0.236	34%	0.34	C	S	.	.			trans	-107.4	89.6	169.5	-177.8	0	0	0	0	106.7	Q216 D220 R224 L226	Q216-V218 HydrophobicContact CB-CG2 4.45Å; Q216-V218 HydrophobicContact CG-CG2 4.09Å; Q216-V218 PolarHBondContact O-N 3.25Å; V218-D220 PolarHBondContact O-N 3.2Å; V218-R224 HydrophobicContact CG1-CB 3.9Å; V218-R224 WeakPolarHBondContact CG1-O 3.47Å; V218-L226 HydrophobicContact CG2-CD2 3.79Å
219	S	60.9	Low	76.5	Confident	40 Å²	40	60 Å²	60	28%	0.28	33%	0.334	S	S	.	.			trans	-52.3	132.3	173	-17.5	0	0	0	0	110	D217 L221 R224	D217-S219 PolarHBondContact OD1-N 3.04Å; S219-L221 PolarHBondContact O-N 3.12Å; S219-R224 PolarHBondContact OG-NH1 3.28Å
220	D	54.4	Low	76.7	Confident	149 Å²	149	60 Å²	60	80%	0.797	33%	0.333	S	S	*	.	S	Bend	trans	-67.9	16.5	-165.3	-48.4	-83.2	0	0	0	115.8	V218	V218-D220 PolarHBondContact O-N 3.2Å
221	L	51.2	Low	76.9	Confident	113 Å²	113	60 Å²	60	59%	0.592	33%	0.332	S	S	*	.	S	Bend	trans	-64.6	118.9	172	-67.2	169.3	0	0	0	109.9	S219 G223 R224	S219-L221 PolarHBondContact O-N 3.12Å; L221-G223 PolarHBondContact O-N 2.94Å; L221-R224 PolarHBondContact O-N 3.41Å
222	P	48.8	Very low	76.9	Confident	134 Å²	134	63 Å²	63	87%	0.87	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	125.5	-170.1	21.2	-32.7	0	0	0	112.5
223	G	52.9	Low	76.8	Confident	65 Å²	65	63.7 Å²	63.7	67%	0.67	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	103	3.9	180	0	0	0	0	0	115.7	L221	L221-G223 PolarHBondContact O-N 2.94Å
224	R	60.1	Low	76.5	Confident	146 Å²	146	64.9 Å²	64.9	55%	0.551	36%	0.355	S	S	*	.			trans	-84.2	115.4	161.8	-74.7	-174	168.2	-173.2	-2.4	110.2	V218 S219 L221	V218-R224 HydrophobicContact CG1-CB 3.9Å; V218-R224 WeakPolarHBondContact CG1-O 3.47Å; S219-R224 PolarHBondContact OG-NH1 3.28Å; L221-R224 PolarHBondContact O-N 3.41Å
225	N	67.8	Low	76	Confident	133 Å²	133	70.1 Å²	70.1	71%	0.711	39%	0.391	S	S	*	.			trans	-104.8	158.6	174.6	-63.9	-4.9	0	0	0	110.6	T227	N225-T227 PolarHBondContact O-N 3.42Å
226	L	77.7	Confident	75.5	Confident	41 Å²	41	73 Å²	73	22%	0.215	41%	0.405	C	S	.	.			trans	-52.2	135.5	173.3	-69.4	172.7	0	0	0	111.9	Y212 D213 L214 Q216 V218	Y212-L226 HydrophobicContact CD1-CB 4.04Å; D213-L226 WeakPolarHBondContact O-CD2 3.49Å; L214-L226 HydrophobicContact CD2-CD1 3.92Å; Q216-L226 HydrophobicContact CB-CD2 4.29Å; V218-L226 HydrophobicContact CG2-CD2 3.79Å
227	T	81.2	Confident	75.4	Confident	62 Å²	62	79.9 Å²	79.9	38%	0.38	43%	0.429	S	S	.	.			trans	-97.3	142.4	-172.8	65.3	0	0	0	0	112.7	Q216 N225 R229	Q216-T227 PolarHBondContact NE2-OG1 3.44Å; Q216-T227 VanDerWaalsContact OE1-N 3.17Å; Q216-T227 PolarHBondContact OE1-OG1 3.35Å; N225-T227 PolarHBondContact O-N 3.42Å; T227-R229 PolarHBondContact O-N 2.96Å; T227-R229 VanDerWaalsContact O-N 3.16Å
228	T	88.9	Confident	75.8	Confident	63 Å²	63	76.9 Å²	76.9	39%	0.387	41%	0.413	S	S	.	.			trans	-74.2	109.4	-179.4	52.7	0	0	0	0	112	I211 Y212 K848	I211-T228 CarbonylContact O-C 3.57Å; I211-T228 WeakPolarHBondContact O-CA 3.43Å; Y212-T228 HydrophobicContact CD1-CG2 4.29Å; Y212-T228 HydrophobicContact CE1-CG2 3.58Å; T228-K848 PolarHBondContact O-NZ 2.8Å
229	R	90.9	Very high	76.9	Confident	50 Å²	50	75.7 Å²	75.7	19%	0.189	41%	0.406	C	S	.	.			trans	-70.1	167.6	173.6	-55.3	-57.1	-166.4	179.5	6.5	111.1	I211 D213 T227 V241 G243	I211-R229 HydrophobicContact CB-CB 4.5Å; I211-R229 HydrophobicContact CG2-CB 4.24Å; I211-R229 PolarHBondContact O-N 2.85Å; D213-R229 HydrophobicContact CB-CG 3.82Å; D213-R229 IonicContact OD2-CZ 3.53Å; D213-R229 VanDerWaalsContact OD2-CZ 3.3Å; D213-R229 IonicContact OD2-NE 2.7Å; D213-R229 PolarHBondContact OD2-NE 3.27Å; D213-R229 VanDerWaalsContact OD2-NE 3.13Å; D213-R229 IonicContact OD2-NH2 2.61Å; D213-R229 PolarHBondContact OD2-NH2 3.1Å; T227-R229 PolarHBondContact O-N 2.96Å; T227-R229 VanDerWaalsContact O-N 3.16Å; R229-V241 HydrophobicContact CB-CG1 3.51Å; R229-V241 HydrophobicContact CG-CG1 3.87Å; R229-G243 PolarHBondContact NE-O 3.22Å; R229-G243 PolarHBondContact NH1-O 3.5Å; R229-G243 PolarHBondContact NH2-O 3.27Å; R229-G243 VanDerWaalsContact NH2-O 3.11Å
230	I	92.6	Very high	78.4	Confident	24 Å²	24	75 Å²	75	12%	0.123	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.3	178.6	66.2	179	0	0	0	110.4	Y242 K848	I230-Y242 HydrophobicContact CD1-CD1 4.13Å; I230-Y242 HydrophobicContact CG1-CD1 4.11Å; I230-Y242 HydrophobicContact CG1-CG 4.47Å; I230-Y242 PolarHBondContact O-N 3.04Å; I230-K848 HydrophobicContact CG2-CD 4.24Å
231	L	93.1	Very high	80.2	Confident	13 Å²	13	69 Å²	69	7%	0.068	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	134.9	169.4	-62.6	177.1	0	0	0	110.6	I211 V239 Y240 V241 R383 Y386 L387	I211-L231 HydrophobicContact CD1-CD1 3.73Å; I211-L231 HydrophobicContact CD1-CD2 3.52Å; I211-L231 HydrophobicContact CD1-CG 3.43Å; I211-L231 VanDerWaalsContact CD1-CG 3.43Å; L231-V239 HydrophobicContact CB-CG1 3.92Å; L231-V239 HydrophobicContact CD1-CG1 4.09Å; L231-V239 HydrophobicContact CD2-CG1 4.14Å; L231-V239 HydrophobicContact CG-CG1 4.25Å; L231-Y240 WeakPolarHBondContact CA-O 3.46Å; L231-V241 HydrophobicContact CD2-CG2 3.82Å; L231-R383 WeakPolarHBondContact CD1-O 3.44Å; L231-Y386 HydrophobicContact CB-CD1 3.81Å; L231-Y386 HydrophobicContact CB-CE1 3.72Å; L231-Y386 HydrophobicContact CD1-CD1 3.51Å; L231-Y386 HydrophobicContact CD1-CE1 4.31Å; L231-Y386 HydrophobicContact CD1-CG 4.08Å; L231-Y386 HydrophobicContact CG-CD1 4.29Å; L231-L387 HydrophobicContact CD1-CB 4.09Å; L231-L387 HydrophobicContact CD2-CB 4.49Å; L231-L387 HydrophobicContact CD2-CD1 3.89Å
232	R	91.6	Very high	82.2	Confident	66 Å²	66	67.6 Å²	67.6	25%	0.249	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	161.3	169.5	-72.6	-170.5	178	-175.7	-3.4	110	V239 Y240 Y242	R232-V239 WeakPolarHBondContact O-CA 3.25Å; R232-Y240 HydrophobicContact CB-CD1 4.35Å; R232-Y240 HydrophobicContact CB-CE1 3.76Å; R232-Y240 PolarHBondContact N-O 3.47Å; R232-Y240 PolarHBondContact O-N 3.15Å; R232-Y242 HydrophobicContact CG-CG 4.25Å; R232-Y242 VanDerWaalsContact NH1-CZ 3.34Å
233	E	89.8	Confident	84	Confident	63 Å²	63	63.1 Å²	63.1	29%	0.294	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	139	165.7	-75.9	165.4	-157.8	0	0	107.5	N238 V239 R380 Y386	E233-N238 CarbonylContact C-O 3.27Å; E233-N238 VanDerWaalsContact CA-O 3.27Å; E233-N238 WeakPolarHBondContact CA-O 3.46Å; E233-V239 HydrophobicContact CG-CG2 3.93Å; E233-R380 IonicContact OE1-CZ 3.75Å; E233-R380 IonicContact OE1-NE 3.01Å; E233-R380 IonicContact OE1-NH2 2.68Å; E233-R380 PolarHBondContact OE1-NH2 3.25Å; E233-R380 IonicContact OE2-NH2 2.75Å; E233-Y386 WeakPolarHBondContact OE1-CE2 3.3Å; E233-Y386 PolarHBondContact OE1-OH 2.89Å
234	D	86.1	Confident	85.7	Confident	26 Å²	26	61.1 Å²	61.1	14%	0.139	31%	0.312	C	S	.	.			trans	-86	-167.8	174.5	72.4	10	0	0	0	112.6	N144 Q236 R237 N238 Y240	N144-D234 HydrophobicContact CB-CB 4.15Å; N144-D234 PolarHBondContact ND2-OD2 3.08Å; D234-Q236 VanDerWaalsContact C-N 3.32Å; D234-Q236 PolarHBondContact O-N 2.87Å; D234-Q236 WeakPolarHBondContact OD1-CA 3.26Å; D234-Q236 PolarHBondContact OD1-N 2.66Å; D234-R237 PolarHBondContact O-N 3.37Å; D234-R237 VanDerWaalsContact O-N 3.14Å; D234-R237 PolarHBondContact OD1-N 2.61Å; D234-N238 PolarHBondContact N-O 2.9Å; D234-N238 PolarHBondContact OD1-N 2.83Å; D234-N238 WeakPolarHBondContact OD2-CB 2.94Å; D234-N238 PolarHBondContact OD2-ND2 2.79Å; D234-Y240 HydrophobicContact CB-CD1 4.19Å; D234-Y240 HydrophobicContact CB-CE1 3.9Å
235	S	81.9	Confident	87.1	Confident	109 Å²	109	56.5 Å²	56.5	76%	0.762	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-28.7	177.7	46.8	0	0	0	0	114.1	R237	S235-R237 VanDerWaalsContact C-N 3.35Å
236	Q	81.9	Confident	88.3	Confident	77 Å²	77	52.7 Å²	52.7	36%	0.36	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-6.2	173.4	-70.8	-175.2	-31.7	0	0	112.6	D234 N238	D234-Q236 VanDerWaalsContact C-N 3.32Å; D234-Q236 PolarHBondContact O-N 2.87Å; D234-Q236 WeakPolarHBondContact OD1-CA 3.26Å; D234-Q236 PolarHBondContact OD1-N 2.66Å; Q236-N238 WeakPolarHBondContact CB-ND2 3.42Å; Q236-N238 PolarHBondContact OE1-ND2 2.68Å
237	R	83.7	Confident	89.1	Confident	173 Å²	173	52.6 Å²	52.6	65%	0.653	28%	0.278	S	S	*	.			trans	73.8	24.2	-171.8	-48.3	175.7	175.2	178	-0.5	114.6	D234 S235 K389	D234-R237 PolarHBondContact O-N 3.37Å; D234-R237 VanDerWaalsContact O-N 3.14Å; D234-R237 PolarHBondContact OD1-N 2.61Å; S235-R237 VanDerWaalsContact C-N 3.35Å; R237-K389 PolarHBondContact O-NZ 3.27Å; R237-K389 VanDerWaalsContact O-NZ 3.09Å
238	N	87.3	Confident	89.8	Confident	28 Å²	28	50.3 Å²	50.3	15%	0.15	26%	0.263	C	S	.	.			trans	-74.4	139.6	170.6	-49.1	-42.7	0	0	0	110.1	E233 D234 Q236 N390	E233-N238 CarbonylContact C-O 3.27Å; E233-N238 VanDerWaalsContact CA-O 3.27Å; E233-N238 WeakPolarHBondContact CA-O 3.46Å; D234-N238 PolarHBondContact N-O 2.9Å; D234-N238 PolarHBondContact OD1-N 2.83Å; D234-N238 WeakPolarHBondContact OD2-CB 2.94Å; D234-N238 PolarHBondContact OD2-ND2 2.79Å; Q236-N238 WeakPolarHBondContact CB-ND2 3.42Å; Q236-N238 PolarHBondContact OE1-ND2 2.68Å; N238-N390 VanDerWaalsContact CA-ND2 3.32Å; N238-N390 WeakPolarHBondContact CA-ND2 3.3Å; N238-N390 VanDerWaalsContact CB-ND2 3.27Å; N238-N390 WeakPolarHBondContact CB-ND2 3.46Å; N238-N390 VanDerWaalsContact CG-ND2 3.35Å; N238-N390 PolarHBondContact OD1-ND2 2.73Å
239	V	91.5	Very high	90.1	Very high	15 Å²	15	47.3 Å²	47.3	9%	0.091	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	125.1	-178.6	-176.6	0	0	0	0	110.8	L231 R232 E233 Y386 K389	L231-V239 HydrophobicContact CB-CG1 3.92Å; L231-V239 HydrophobicContact CD1-CG1 4.09Å; L231-V239 HydrophobicContact CD2-CG1 4.14Å; L231-V239 HydrophobicContact CG-CG1 4.25Å; R232-V239 WeakPolarHBondContact O-CA 3.25Å; E233-V239 HydrophobicContact CG-CG2 3.93Å; V239-Y386 WeakPolarHBondContact CB-O 3.31Å; V239-Y386 HydrophobicContact CG1-CD1 4.4Å; V239-Y386 HydrophobicContact CG1-CE1 4.38Å; V239-Y386 HydrophobicContact CG1-CG 4.44Å; V239-Y386 WeakPolarHBondContact CG1-O 3.19Å; V239-Y386 HydrophobicContact CG2-CD2 4.11Å; V239-Y386 HydrophobicContact CG2-CE2 3.85Å; V239-Y386 WeakPolarHBondContact CG2-O 3.36Å; V239-K389 HydrophobicContact CG2-CB 4.14Å; V239-K389 HydrophobicContact CG2-CD 3.84Å
240	Y	92.8	Very high	90.3	Very high	25 Å²	25	47.2 Å²	47.2	10%	0.098	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	162	-178.4	73	-81.3	0	0	0	112.8	N144 L231 R232 D234 Y242	N144-Y240 HydrophobicContact CB-CD1 3.74Å; N144-Y240 HydrophobicContact CB-CD2 4.08Å; N144-Y240 HydrophobicContact CB-CE1 4.08Å; N144-Y240 HydrophobicContact CB-CE2 4.41Å; N144-Y240 HydrophobicContact CB-CG 3.73Å; N144-Y240 VanDerWaalsContact OD1-CB 3.32Å; N144-Y240 WeakPolarHBondContact OD1-CB 3.46Å; L231-Y240 WeakPolarHBondContact CA-O 3.46Å; R232-Y240 HydrophobicContact CB-CD1 4.35Å; R232-Y240 HydrophobicContact CB-CE1 3.76Å; R232-Y240 PolarHBondContact N-O 3.47Å; R232-Y240 PolarHBondContact O-N 3.15Å; D234-Y240 HydrophobicContact CB-CD1 4.19Å; D234-Y240 HydrophobicContact CB-CE1 3.9Å; Y240-Y242 HydrophobicContact CE2-CD2 4.01Å; Y240-Y242 PolarHBondContact O-N 3.37Å
241	V	93.7	Very high	90.5	Very high	24 Å²	24	48.2 Å²	48.2	15%	0.145	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	99.3	177.5	-176.4	0	0	0	0	109.5	I204 I211 R229 L231 G243 G244 L387	I204-V241 HydrophobicContact CD1-CB 4.49Å; I204-V241 HydrophobicContact CD1-CG1 4.15Å; I204-V241 HydrophobicContact CD1-CG2 4.31Å; I204-V241 HydrophobicContact CG1-CG2 4.25Å; I204-V241 HydrophobicContact CG2-CG2 4.41Å; I211-V241 HydrophobicContact CG2-CG1 4.29Å; I211-V241 HydrophobicContact CG2-CG2 4.43Å; R229-V241 HydrophobicContact CB-CG1 3.51Å; R229-V241 HydrophobicContact CG-CG1 3.87Å; L231-V241 HydrophobicContact CD2-CG2 3.82Å; V241-G243 PolarHBondContact O-N 2.95Å; V241-G244 PolarHBondContact O-N 2.88Å; V241-L387 HydrophobicContact CG2-CD1 4.24Å
242	Y	91.9	Very high	90.6	Very high	82 Å²	82	47.9 Å²	47.9	32%	0.322	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	120.8	-176.2	177	-100.4	0	0	0	112	I230 R232 Y240 G244	I230-Y242 HydrophobicContact CD1-CD1 4.13Å; I230-Y242 HydrophobicContact CG1-CD1 4.11Å; I230-Y242 HydrophobicContact CG1-CG 4.47Å; I230-Y242 PolarHBondContact O-N 3.04Å; R232-Y242 HydrophobicContact CG-CG 4.25Å; R232-Y242 VanDerWaalsContact NH1-CZ 3.34Å; Y240-Y242 HydrophobicContact CE2-CD2 4.01Å; Y240-Y242 PolarHBondContact O-N 3.37Å; Y242-G244 VanDerWaalsContact C-N 3.27Å; Y242-G244 PolarHBondContact O-N 2.87Å
243	G	86.1	Confident	90.8	Very high	40 Å²	40	47.3 Å²	47.3	41%	0.412	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	18.5	-176.7	0	0	0	0	0	114.2	R229 V241	R229-G243 PolarHBondContact NE-O 3.22Å; R229-G243 PolarHBondContact NH1-O 3.5Å; R229-G243 PolarHBondContact NH2-O 3.27Å; R229-G243 VanDerWaalsContact NH2-O 3.11Å; V241-G243 PolarHBondContact O-N 2.95Å
244	G	88.7	Confident	91	Very high	24 Å²	24	47.2 Å²	47.2	25%	0.247	26%	0.256	C	S	.	.			trans	-64.8	153.3	163.4	0	0	0	0	0	111.1	D213 V241 Y242	D213-G244 WeakPolarHBondContact OD2-CA 2.99Å; V241-G244 PolarHBondContact O-N 2.88Å; Y242-G244 VanDerWaalsContact C-N 3.27Å; Y242-G244 PolarHBondContact O-N 2.87Å
245	V	91.1	Very high	91.5	Very high	48 Å²	48	46 Å²	46	29%	0.291	25%	0.249	S	C	.	.			trans	-84.2	128.3	175.5	178.2	0	0	0	0	110.2	S202 D213 L215 V247	S202-V245 WeakPolarHBondContact CB-O 3.4Å; D213-V245 PolarHBondContact OD2-N 3Å; L215-V245 HydrophobicContact CB-CB 4.12Å; L215-V245 HydrophobicContact CB-CG1 4.16Å; V245-V247 HydrophobicContact CG1-CG2 3.75Å
246	E	92.8	Very high	92.2	Very high	53 Å²	53	41.9 Å²	41.9	25%	0.248	22%	0.218	C	C	.	.			trans	-116.7	125.1	170.6	-56.6	-173.6	103.6	0	0	107.7	P140 V201 R287	P140-E246 HydrophobicContact CG-CB 4.18Å; V201-E246 WeakPolarHBondContact O-CA 3.42Å; E246-R287 WeakPolarHBondContact OE1-CD 3.34Å; E246-R287 IonicContact OE1-CZ 2.73Å; E246-R287 IonicContact OE1-NE 3.22Å; E246-R287 IonicContact OE1-NH1 2.66Å; E246-R287 PolarHBondContact OE1-NH1 2.92Å; E246-R287 IonicContact OE2-NH1 3.55Å; E246-R287 PolarHBondContact OE2-NH1 2.94Å
247	V	93.9	Very high	92.7	Very high	39 Å²	39	41.6 Å²	41.6	24%	0.236	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128.5	-172.9	-172.7	0	0	0	0	110.2	F200 V201 L215 V245 L258	F200-V247 CarbonylContact C-O 3.55Å; F200-V247 VanDerWaalsContact CA-O 3.28Å; F200-V247 WeakPolarHBondContact CA-O 3.47Å; V201-V247 HydrophobicContact CG2-CB 4.38Å; V201-V247 PolarHBondContact N-O 3.39Å; V201-V247 PolarHBondContact O-N 3.1Å; L215-V247 HydrophobicContact CD1-CG2 3.89Å; V245-V247 HydrophobicContact CG1-CG2 3.75Å; V247-L258 HydrophobicContact CB-CD1 3.93Å; V247-L258 HydrophobicContact CG1-CD1 3.69Å; V247-L258 HydrophobicContact CG2-CD1 4.45Å
248	E	95.9	Very high	93.2	Very high	14 Å²	14	34.9 Å²	34.9	7%	0.065	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	126.4	173.1	-166.2	-173.7	-178.9	0	0	110.5	K135 Y136 V199 F200 K250	K135-E248 WeakPolarHBondContact CE-O 3.37Å; K135-E248 HydrophobicContact CG-CG 4.48Å; K135-E248 WeakPolarHBondContact CG-OE2 3.36Å; K135-E248 PolarHBondContact NZ-O 3.19Å; Y136-E248 PolarHBondContact N-OE2 2.81Å; V199-E248 WeakPolarHBondContact O-CA 3.34Å; F200-E248 HydrophobicContact CD1-CB 4.03Å; F200-E248 HydrophobicContact CE1-CB 3.53Å; F200-E248 HydrophobicContact CE1-CG 4.08Å; F200-E248 HydrophobicContact CE2-CG 4.22Å; F200-E248 HydrophobicContact CZ-CB 3.82Å; F200-E248 HydrophobicContact CZ-CG 3.83Å; E248-K250 WeakPolarHBondContact OE1-CE 3.45Å; E248-K250 IonicContact OE1-NZ 2.63Å; E248-K250 PolarHBondContact OE1-NZ 3.28Å
249	V	95.8	Very high	93.5	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	148	-177.8	-73.6	0	0	0	0	111.7	F125 V199 V201 E254 A255 L258	F125-V249 HydrophobicContact CZ-CB 4.36Å; F125-V249 HydrophobicContact CZ-CG2 3.99Å; V199-V249 HydrophobicContact CB-CG2 3.97Å; V199-V249 HydrophobicContact CG1-CG2 3.69Å; V199-V249 WeakPolarHBondContact O-CG2 3.3Å; V199-V249 PolarHBondContact O-N 3.06Å; V201-V249 HydrophobicContact CG1-CG2 3.9Å; V201-V249 HydrophobicContact CG2-CG1 3.8Å; V201-V249 HydrophobicContact CG2-CG2 4.25Å; V249-E254 VanDerWaalsContact CA-OE2 3.31Å; V249-E254 WeakPolarHBondContact CA-OE2 3.3Å; V249-E254 HydrophobicContact CB-CB 4.45Å; V249-E254 HydrophobicContact CB-CG 4.49Å; V249-E254 HydrophobicContact CG1-CB 4.28Å; V249-E254 HydrophobicContact CG1-CG 4Å; V249-A255 HydrophobicContact CB-CB 4.41Å; V249-A255 HydrophobicContact CG1-CB 4.28Å; V249-A255 HydrophobicContact CG2-CB 4.26Å; V249-L258 HydrophobicContact CG1-CD1 3.53Å
250	K	95	Very high	93.6	Very high	49 Å²	49	36.2 Å²	36.2	21%	0.213	21%	0.206	C	C	.	.	S	Bend	trans	-120.4	-7.3	-176.6	-61.1	-62.1	171	-168.2	0	115.1	F125 Q132 T133 E248 E254	F125-K250 WeakPolarHBondContact CE1-O 3.28Å; Q132-K250 PolarHBondContact NE2-O 2.87Å; T133-K250 WeakPolarHBondContact O-CE 3.35Å; T133-K250 PolarHBondContact O-NZ 3.24Å; E248-K250 WeakPolarHBondContact OE1-CE 3.45Å; E248-K250 IonicContact OE1-NZ 2.63Å; E248-K250 PolarHBondContact OE1-NZ 3.28Å; K250-E254 PolarHBondContact N-OE2 3.05Å
251	S	96	Very high	93.4	Very high	45 Å²	45	35.8 Å²	35.8	32%	0.315	21%	0.208	S	C	.	.	S	Bend	trans	-142	162.6	169.5	71.2	0	0	0	0	111.7	F125 D253 E254 A255	F125-S251 WeakPolarHBondContact CE2-O 3.47Å; S251-D253 PolarHBondContact O-N 3.38Å; S251-D253 PolarHBondContact OG-N 3.36Å; S251-E254 PolarHBondContact O-N 3.37Å; S251-E254 PolarHBondContact OG-N 3.18Å; S251-E254 VanDerWaalsContact OG-N 3.08Å; S251-A255 PolarHBondContact O-N 2.75Å
252	A	96.2	Very high	93.2	Very high	6 Å²	6	34.6 Å²	34.6	5%	0.05	20%	0.201	C	C	.	.	H	α-helix	trans	-59.2	-35.8	171.6	0	0	0	0	0	111.2	L121 D122 F125 A255 L256	L121-A252 HydrophobicContact CB-CB 3.94Å; D122-A252 WeakPolarHBondContact OD1-CB 3.38Å; F125-A252 HydrophobicContact CD2-CB 3.93Å; A252-A255 PolarHBondContact O-N 3.15Å; A252-L256 WeakPolarHBondContact O-CB 3.4Å; A252-L256 VanDerWaalsContact O-CG 3.27Å; A252-L256 WeakPolarHBondContact O-CG 3.36Å; A252-L256 PolarHBondContact O-N 3.04Å
253	D	94.6	Very high	93	Very high	54 Å²	54	31.2 Å²	31.2	29%	0.289	19%	0.188	S	C	.	.	H	α-helix	trans	-71.3	-38.8	-179.7	-51.5	-57.8	0	0	0	112.6	M179 R182 S251 A255 L256 D257	M179-D253 HydrophobicContact CE-CB 4.3Å; R182-D253 IonicContact CZ-OD1 2.67Å; R182-D253 VanDerWaalsContact CZ-OD1 3.25Å; R182-D253 IonicContact NE-OD1 3.7Å; R182-D253 PolarHBondContact NE-OD1 2.88Å; R182-D253 IonicContact NH2-OD1 3.58Å; R182-D253 PolarHBondContact NH2-OD1 2.97Å; R182-D253 IonicContact NH2-OD2 3.51Å; S251-D253 PolarHBondContact O-N 3.38Å; S251-D253 PolarHBondContact OG-N 3.36Å; D253-A255 PolarHBondContact O-N 3.47Å; D253-L256 PolarHBondContact O-N 3.01Å; D253-L256 VanDerWaalsContact O-N 3.16Å; D253-D257 WeakPolarHBondContact O-CB 3.14Å; D253-D257 PolarHBondContact O-N 2.86Å
254	E	95.1	Very high	92.9	Very high	60 Å²	60	34.8 Å²	34.8	28%	0.28	19%	0.192	S	C	.	.	H	α-helix	trans	-60.4	-38.1	173.1	-166.2	-175.5	-173.6	0	0	110.9	K135 V249 K250 S251 L258	K135-E254 IonicContact NZ-OE1 2.7Å; K135-E254 PolarHBondContact NZ-OE1 3.44Å; K135-E254 IonicContact NZ-OE2 3.11Å; V249-E254 VanDerWaalsContact CA-OE2 3.31Å; V249-E254 WeakPolarHBondContact CA-OE2 3.3Å; V249-E254 HydrophobicContact CB-CB 4.45Å; V249-E254 HydrophobicContact CB-CG 4.49Å; V249-E254 HydrophobicContact CG1-CB 4.28Å; V249-E254 HydrophobicContact CG1-CG 4Å; K250-E254 PolarHBondContact N-OE2 3.05Å; S251-E254 PolarHBondContact O-N 3.37Å; S251-E254 PolarHBondContact OG-N 3.18Å; S251-E254 VanDerWaalsContact OG-N 3.08Å; E254-L258 VanDerWaalsContact O-CG 3.31Å; E254-L258 WeakPolarHBondContact O-CG 3.37Å; E254-L258 PolarHBondContact O-N 3.41Å
255	A	96.1	Very high	92.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-70.6	-38.1	174.7	0	0	0	0	0	113.1	L121 V201 V249 S251 A252 D253 F259	L121-A255 HydrophobicContact CD1-CB 3.81Å; L121-A255 HydrophobicContact CD2-CB 3.78Å; L121-A255 HydrophobicContact CG-CB 4.43Å; V201-A255 HydrophobicContact CG1-CB 4.23Å; V249-A255 HydrophobicContact CB-CB 4.41Å; V249-A255 HydrophobicContact CG1-CB 4.28Å; V249-A255 HydrophobicContact CG2-CB 4.26Å; S251-A255 PolarHBondContact O-N 2.75Å; A252-A255 PolarHBondContact O-N 3.15Å; D253-A255 PolarHBondContact O-N 3.47Å; A255-F259 WeakPolarHBondContact O-CB 3.4Å; A255-F259 PolarHBondContact O-N 2.85Å
256	L	95.3	Very high	92.4	Very high	23 Å²	23	35.3 Å²	35.3	12%	0.12	18%	0.181	C	C	.	.	H	α-helix	trans	-71	-35.3	176.7	-73.7	168.6	0	0	0	112.5	L117 P118 L121 A252 D253 F259 C260	L117-L256 HydrophobicContact CD2-CD2 3.76Å; P118-L256 HydrophobicContact CB-CD1 4.15Å; P118-L256 HydrophobicContact CB-CD2 3.95Å; P118-L256 HydrophobicContact CG-CD2 3.88Å; L121-L256 HydrophobicContact CD1-CD2 3.87Å; L121-L256 HydrophobicContact CD1-CG 3.86Å; A252-L256 WeakPolarHBondContact O-CB 3.4Å; A252-L256 VanDerWaalsContact O-CG 3.27Å; A252-L256 WeakPolarHBondContact O-CG 3.36Å; A252-L256 PolarHBondContact O-N 3.04Å; D253-L256 PolarHBondContact O-N 3.01Å; D253-L256 VanDerWaalsContact O-N 3.16Å; L256-F259 PolarHBondContact O-N 2.93Å; L256-C260 WeakPolarHBondContact O-CB 3.3Å; L256-C260 PolarHBondContact O-N 3.01Å; L256-C260 PolarHBondContact O-SG 2.82Å
257	D	93.3	Very high	91.5	Very high	71 Å²	71	39.9 Å²	39.9	38%	0.38	20%	0.197	S	C	.	.	H	α-helix	trans	-65.5	-43.2	173.5	-95.5	-22.5	0	0	0	111.6	D253 F259 C260 A261	D253-D257 WeakPolarHBondContact O-CB 3.14Å; D253-D257 PolarHBondContact O-N 2.86Å; D257-F259 VanDerWaalsContact C-N 3.32Å; D257-F259 PolarHBondContact O-N 3.16Å; D257-C260 PolarHBondContact O-N 3.34Å; D257-A261 VanDerWaalsContact O-CB 3.31Å; D257-A261 WeakPolarHBondContact O-CB 3.33Å; D257-A261 PolarHBondContact O-N 3.44Å
258	L	94	Very high	90.1	Very high	33 Å²	33	43.6 Å²	43.6	17%	0.173	21%	0.214	C	C	.	.	H	α-helix	trans	-61.5	-40.8	172.4	-72.1	169	0	0	0	111.7	V201 L215 V247 V249 E254 A261 G262	V201-L258 HydrophobicContact CG2-CD1 3.78Å; L215-L258 HydrophobicContact CD2-CB 4.32Å; V247-L258 HydrophobicContact CB-CD1 3.93Å; V247-L258 HydrophobicContact CG1-CD1 3.69Å; V247-L258 HydrophobicContact CG2-CD1 4.45Å; V249-L258 HydrophobicContact CG1-CD1 3.53Å; E254-L258 VanDerWaalsContact O-CG 3.31Å; E254-L258 WeakPolarHBondContact O-CG 3.37Å; E254-L258 PolarHBondContact O-N 3.41Å; L258-A261 PolarHBondContact O-N 3.44Å; L258-G262 PolarHBondContact O-N 2.83Å
259	F	94.6	Very high	88.3	Confident	10 Å²	10	45.4 Å²	45.4	4%	0.044	24%	0.236	C	C	.	.	H	α-helix	trans	-62.6	-49.4	175	-178.4	-99	0	0	0	111.7	E108 L117 L203 A255 L256 D257 A261 G262 Q263 F284	E108-F259 HydrophobicContact CG-CE1 3.8Å; E108-F259 HydrophobicContact CG-CZ 3.72Å; E108-F259 WeakPolarHBondContact OE2-CE1 3.08Å; L117-F259 HydrophobicContact CD1-CD2 3.76Å; L117-F259 HydrophobicContact CD1-CE1 4.38Å; L117-F259 HydrophobicContact CD1-CE2 3.48Å; L117-F259 VanDerWaalsContact CD1-CE2 3.48Å; L117-F259 HydrophobicContact CD1-CG 4.35Å; L117-F259 HydrophobicContact CD1-CZ 3.83Å; L117-F259 HydrophobicContact CD2-CD1 4.38Å; L117-F259 HydrophobicContact CD2-CD2 4.46Å; L117-F259 HydrophobicContact CD2-CG 4.29Å; L203-F259 HydrophobicContact CD1-CD2 4.01Å; L203-F259 HydrophobicContact CD1-CE2 3.97Å; L203-F259 HydrophobicContact CD2-CD2 3.82Å; L203-F259 HydrophobicContact CD2-CE2 4.31Å; L203-F259 HydrophobicContact CD2-CG 4.49Å; A255-F259 WeakPolarHBondContact O-CB 3.4Å; A255-F259 PolarHBondContact O-N 2.85Å; L256-F259 PolarHBondContact O-N 2.93Å; D257-F259 VanDerWaalsContact C-N 3.32Å; D257-F259 PolarHBondContact O-N 3.16Å; F259-A261 VanDerWaalsContact C-N 3.34Å; F259-A261 PolarHBondContact O-N 3.37Å; F259-G262 PolarHBondContact O-N 2.8Å; F259-Q263 HydrophobicContact CD1-CG 4.09Å; F259-Q263 HydrophobicContact CE1-CG 3.67Å; F259-Q263 HydrophobicContact CE2-CG 4.14Å; F259-Q263 HydrophobicContact CG-CG 4.49Å; F259-Q263 HydrophobicContact CZ-CG 3.69Å; F259-Q263 WeakPolarHBondContact O-CB 3.4Å; F259-Q263 VanDerWaalsContact O-CG 3.3Å; F259-Q263 WeakPolarHBondContact O-CG 3.49Å; F259-Q263 PolarHBondContact O-N 2.78Å; F259-F284 HydrophobicContact CB-CE2 4.4Å; F259-F284 HydrophobicContact CD2-CB 4.47Å; F259-F284 AromaticContact CD2-CD2 3.92Å; F259-F284 HydrophobicContact CD2-CD2 3.92Å; F259-F284 HydrophobicContact CD2-CE2 4.26Å; F259-F284 HydrophobicContact CD2-CG 4.17Å; F259-F284 HydrophobicContact CE2-CB 4.41Å
260	C	91.7	Very high	86.5	Confident	60 Å²	60	46.8 Å²	46.8	41%	0.405	24%	0.243	S	C	.	.	H	α-helix	trans	-59	-41	175.4	-76.8	0	0	0	0	112.5	L256 D257 Q263 K264	L256-C260 WeakPolarHBondContact O-CB 3.3Å; L256-C260 PolarHBondContact O-N 3.01Å; L256-C260 PolarHBondContact O-SG 2.82Å; D257-C260 PolarHBondContact O-N 3.34Å; C260-Q263 PolarHBondContact O-N 3.08Å; C260-K264 VanDerWaalsContact O-CG 3.3Å; C260-K264 WeakPolarHBondContact O-CG 3.32Å; C260-K264 PolarHBondContact O-N 3.4Å
261	A	89.2	Confident	84.4	Confident	16 Å²	16	49.5 Å²	49.5	13%	0.132	26%	0.264	C	S	.	.	H	α-helix	trans	-65	-44.3	175.9	0	0	0	0	0	112.1	D257 L258 F259 K264 R265	D257-A261 VanDerWaalsContact O-CB 3.31Å; D257-A261 WeakPolarHBondContact O-CB 3.33Å; D257-A261 PolarHBondContact O-N 3.44Å; L258-A261 PolarHBondContact O-N 3.44Å; F259-A261 VanDerWaalsContact C-N 3.34Å; F259-A261 PolarHBondContact O-N 3.37Å; A261-K264 WeakPolarHBondContact O-CB 3.35Å; A261-K264 PolarHBondContact O-N 3.31Å; A261-R265 PolarHBondContact O-N 3.36Å; A261-R265 VanDerWaalsContact O-N 3.08Å
262	G	90.3	Very high	82.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.4	-39.2	175.3	0	0	0	0	0	113.1	L258 F259 K264 R265 R266	L258-G262 PolarHBondContact O-N 2.83Å; F259-G262 PolarHBondContact O-N 2.8Å; G262-K264 VanDerWaalsContact C-N 3.35Å; G262-K264 PolarHBondContact O-N 2.81Å; G262-R265 WeakPolarHBondContact O-CB 3.21Å; G262-R265 PolarHBondContact O-N 2.95Å; G262-R265 VanDerWaalsContact O-N 3.16Å; G262-R266 WeakPolarHBondContact O-CB 3.13Å; G262-R266 PolarHBondContact O-N 3.04Å
263	Q	87.9	Confident	79.6	Confident	11 Å²	11	57.1 Å²	57.1	5%	0.051	31%	0.31	C	S	.	.	H	α-helix	trans	-64.2	-35.7	173.4	-73.5	-84	88.6	0	0	112.2	E108 F259 C260 R266 R267	E108-Q263 PolarHBondContact OE1-NE2 3.4Å; E108-Q263 PolarHBondContact OE2-NE2 2.93Å; F259-Q263 HydrophobicContact CD1-CG 4.09Å; F259-Q263 HydrophobicContact CE1-CG 3.67Å; F259-Q263 HydrophobicContact CE2-CG 4.14Å; F259-Q263 HydrophobicContact CG-CG 4.49Å; F259-Q263 HydrophobicContact CZ-CG 3.69Å; F259-Q263 WeakPolarHBondContact O-CB 3.4Å; F259-Q263 VanDerWaalsContact O-CG 3.3Å; F259-Q263 WeakPolarHBondContact O-CG 3.49Å; F259-Q263 PolarHBondContact O-N 2.78Å; C260-Q263 PolarHBondContact O-N 3.08Å; Q263-R266 WeakPolarHBondContact O-CB 3.28Å; Q263-R266 PolarHBondContact O-N 2.81Å; Q263-R267 WeakPolarHBondContact O-CG 3.07Å; Q263-R267 PolarHBondContact O-N 2.72Å
264	K	84.2	Confident	77.5	Confident	114 Å²	114	55 Å²	55	50%	0.496	30%	0.299	S	S	.	.	H	α-helix	trans	-60.5	-47.8	168.8	-73.8	165.2	-177.8	172.8	0	111	C260 A261 G262 R266 R267 I268	C260-K264 VanDerWaalsContact O-CG 3.3Å; C260-K264 WeakPolarHBondContact O-CG 3.32Å; C260-K264 PolarHBondContact O-N 3.4Å; A261-K264 WeakPolarHBondContact O-CB 3.35Å; A261-K264 PolarHBondContact O-N 3.31Å; G262-K264 VanDerWaalsContact C-N 3.35Å; G262-K264 PolarHBondContact O-N 2.81Å; K264-R266 PolarHBondContact O-N 3.16Å; K264-R267 PolarHBondContact O-N 3.27Å; K264-I268 WeakPolarHBondContact O-CG1 3.47Å; K264-I268 PolarHBondContact O-N 3.38Å
265	R	83.6	Confident	75.4	Confident	80 Å²	80	57.3 Å²	57.3	30%	0.302	32%	0.317	S	S	.	.	H	α-helix	trans	-60.8	-40.5	176.6	-66.7	179.1	-170.4	119.2	3	112.6	L214 A261 G262 R267 I268 G269	L214-R265 WeakPolarHBondContact O-CD 3.31Å; L214-R265 PolarHBondContact O-NH1 2.8Å; A261-R265 PolarHBondContact O-N 3.36Å; A261-R265 VanDerWaalsContact O-N 3.08Å; G262-R265 WeakPolarHBondContact O-CB 3.21Å; G262-R265 PolarHBondContact O-N 2.95Å; G262-R265 VanDerWaalsContact O-N 3.16Å; R265-R267 PolarHBondContact O-N 3.25Å; R265-I268 PolarHBondContact O-N 3.01Å; R265-G269 PolarHBondContact O-N 3.21Å
266	R	84.3	Confident	73.8	Confident	3 Å²	3	61.1 Å²	61.1	1%	0.011	34%	0.335	C	S	.	.	H	α-helix	trans	-57.3	-45.6	173.2	-165.1	-174.4	173	-158.5	-1.1	111.7	E205 L214 G262 Q263 K264 G269 Q270 S277 S280	E205-R266 VanDerWaalsContact OE1-CG 3.3Å; E205-R266 WeakPolarHBondContact OE1-CG 3.2Å; E205-R266 IonicContact OE1-NE 3.66Å; L214-R266 HydrophobicContact CD1-CB 3.95Å; L214-R266 HydrophobicContact CD1-CG 4.18Å; L214-R266 HydrophobicContact CD2-CB 4.16Å; G262-R266 WeakPolarHBondContact O-CB 3.13Å; G262-R266 PolarHBondContact O-N 3.04Å; Q263-R266 WeakPolarHBondContact O-CB 3.28Å; Q263-R266 PolarHBondContact O-N 2.81Å; K264-R266 PolarHBondContact O-N 3.16Å; R266-G269 PolarHBondContact O-N 2.7Å; R266-Q270 WeakPolarHBondContact O-CG 3.46Å; R266-Q270 PolarHBondContact O-N 3.46Å; R266-Q270 VanDerWaalsContact O-N 3.12Å; R266-S277 PolarHBondContact NH2-O 2.86Å; R266-S280 PolarHBondContact NE-OG 2.89Å; R266-S280 VanDerWaalsContact NE-OG 3.12Å; R266-S280 PolarHBondContact NH2-O 2.87Å; R266-S280 PolarHBondContact NH2-OG 3.01Å
267	R	74	Confident	72.5	Confident	150 Å²	150	61.7 Å²	61.7	57%	0.566	34%	0.34	S	S	*	.	H	α-helix	trans	-67.4	-32.7	176	-68.4	173.6	-167.8	-171	5.1	113.3	Q263 K264 R265 Q270 T271	Q263-R267 WeakPolarHBondContact O-CG 3.07Å; Q263-R267 PolarHBondContact O-N 2.72Å; K264-R267 PolarHBondContact O-N 3.27Å; R265-R267 PolarHBondContact O-N 3.25Å; R267-Q270 WeakPolarHBondContact O-CB 3.31Å; R267-Q270 PolarHBondContact O-N 2.59Å; R267-T271 PolarHBondContact O-N 2.83Å
268	I	64.5	Low	71.5	Confident	117 Å²	117	59 Å²	59	60%	0.6	33%	0.328	S	S	*	.	H	α-helix	trans	-69	-38.6	173.5	-66.1	163.3	0	0	0	111.1	K264 R265 Q270 T271	K264-I268 WeakPolarHBondContact O-CG1 3.47Å; K264-I268 PolarHBondContact O-N 3.38Å; R265-I268 PolarHBondContact O-N 3.01Å; I268-Q270 PolarHBondContact O-N 2.85Å; I268-T271 PolarHBondContact O-OG1 3.23Å
269	G	58.8	Low	70.7	Confident	52 Å²	52	60.3 Å²	60.3	54%	0.536	33%	0.33	S	S	.	.	H	α-helix	trans	-62.4	-32.4	171.7	0	0	0	0	0	113.2	R265 R266	R265-G269 PolarHBondContact O-N 3.21Å; R266-G269 PolarHBondContact O-N 2.7Å
270	Q	58.8	Low	70.4	Confident	29 Å²	29	59.9 Å²	59.9	14%	0.136	33%	0.329	C	S	.	.	H	α-helix	trans	-68.6	-53.9	174.7	-79.3	165.8	21.6	0	0	112.3	R266 R267 I268 A272 L273 N274	R266-Q270 WeakPolarHBondContact O-CG 3.46Å; R266-Q270 PolarHBondContact O-N 3.46Å; R266-Q270 VanDerWaalsContact O-N 3.12Å; R267-Q270 WeakPolarHBondContact O-CB 3.31Å; R267-Q270 PolarHBondContact O-N 2.59Å; I268-Q270 PolarHBondContact O-N 2.85Å; Q270-A272 PolarHBondContact O-N 3.37Å; Q270-L273 PolarHBondContact O-N 3.41Å; Q270-N274 CarbonylContact C-O 3.59Å; Q270-N274 WeakPolarHBondContact CA-O 3.49Å; Q270-N274 WeakPolarHBondContact CB-O 3.49Å; Q270-N274 CarbonylContact O-C 3.15Å; Q270-N274 VanDerWaalsContact O-C 3.27Å; Q270-N274 PolarHBondContact O-N 2.95Å
271	T	49.4	Very low	70.5	Confident	106 Å²	106	57.1 Å²	57.1	65%	0.65	31%	0.31	S	S	*	.	H	α-helix	trans	-58.2	-21.5	-173	51.9	0	0	0	0	115	R267 I268 L273	R267-T271 PolarHBondContact O-N 2.83Å; I268-T271 PolarHBondContact O-OG1 3.23Å; T271-L273 VanDerWaalsContact C-N 3.31Å; T271-L273 PolarHBondContact O-N 3.25Å
272	A	47.4	Very low	70.7	Confident	80 Å²	80	56.6 Å²	56.6	66%	0.661	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-26.8	174.1	0	0	0	0	0	114.7	Q270	Q270-A272 PolarHBondContact O-N 3.37Å
273	L	45.3	Very low	71	Confident	131 Å²	131	56.7 Å²	56.7	69%	0.686	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.7	-27.3	-177.3	-77.5	177.7	0	0	0	116	Q270 T271 R332	Q270-L273 PolarHBondContact O-N 3.41Å; T271-L273 VanDerWaalsContact C-N 3.31Å; T271-L273 PolarHBondContact O-N 3.25Å; L273-R332 PolarHBondContact O-NH2 2.82Å
274	N	50.6	Low	71.5	Confident	9 Å²	9	56.3 Å²	56.3	5%	0.048	30%	0.304	C	S	.	.			trans	-153.5	119.5	-173.1	-65	-61.9	0	0	0	111.9	Q270 R279 R332 E335	Q270-N274 CarbonylContact C-O 3.59Å; Q270-N274 WeakPolarHBondContact CA-O 3.49Å; Q270-N274 WeakPolarHBondContact CB-O 3.49Å; Q270-N274 CarbonylContact O-C 3.15Å; Q270-N274 VanDerWaalsContact O-C 3.27Å; Q270-N274 PolarHBondContact O-N 2.95Å; N274-R279 PolarHBondContact OD1-NH1 2.72Å; N274-R332 WeakPolarHBondContact OD1-CD 3.32Å; N274-R332 WeakPolarHBondContact OD1-CG 3.33Å; N274-R332 PolarHBondContact OD1-NE 2.88Å; N274-E335 PolarHBondContact ND2-OE1 2.94Å; N274-E335 VanDerWaalsContact ND2-OE1 3.08Å; N274-E335 PolarHBondContact ND2-OE2 2.96Å
275	V	50	Low	72.1	Confident	109 Å²	109	51.9 Å²	51.9	66%	0.661	29%	0.286	S	S	*	.			trans	-71.3	129.3	156.2	180	0	0	0	0	108.3
276	E	61.7	Low	72.8	Confident	80 Å²	80	48.1 Å²	48.1	37%	0.374	27%	0.272	S	S	.	.			trans	156.4	135	141.1	-166.8	53.1	-129.5	0	0	110.3	S278 R279	E276-S278 VanDerWaalsContact CG-OG 3.28Å; E276-S278 WeakPolarHBondContact CG-OG 3.47Å; E276-S278 PolarHBondContact O-N 2.77Å; E276-R279 HydrophobicContact CB-CG 4.46Å
277	S	68.2	Low	73.4	Confident	34 Å²	34	48.3 Å²	48.3	24%	0.238	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-68.5	-23.7	178.4	61.6	0	0	0	0	112.8	R266 R279	R266-S277 PolarHBondContact NH2-O 2.86Å; S277-R279 PolarHBondContact O-N 3.48Å
278	S	74	Confident	74.5	Confident	16 Å²	16	41.2 Å²	41.2	11%	0.112	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-66.1	-6.6	-177.7	76.5	0	0	0	0	115.4	T99 E276 A318 G319	T99-S278 WeakPolarHBondContact OG1-CB 3.4Å; T99-S278 PolarHBondContact OG1-OG 2.83Å; E276-S278 VanDerWaalsContact CG-OG 3.28Å; E276-S278 WeakPolarHBondContact CG-OG 3.47Å; E276-S278 PolarHBondContact O-N 2.77Å; S278-A318 CarbonylContact O-C 3.49Å; S278-A318 WeakPolarHBondContact O-CA 3.49Å; S278-A318 WeakPolarHBondContact O-CB 3.41Å; S278-G319 PolarHBondContact O-N 3.23Å
279	R	77.4	Confident	76	Confident	59 Å²	59	35.7 Å²	35.7	22%	0.223	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-95.1	0.1	-174.6	-59.2	-157.8	-165.1	172.3	11.7	115.2	Y207 N274 E276 S277 E335 I339	Y207-R279 WeakPolarHBondContact CD2-O 3.31Å; N274-R279 PolarHBondContact OD1-NH1 2.72Å; E276-R279 HydrophobicContact CB-CG 4.46Å; S277-R279 PolarHBondContact O-N 3.48Å; R279-E335 WeakPolarHBondContact CD-OE1 3.35Å; R279-E335 IonicContact CZ-OE1 2.87Å; R279-E335 IonicContact NE-OE1 2.74Å; R279-E335 IonicContact NH1-OE1 3.72Å; R279-E335 PolarHBondContact NH1-OE1 2.99Å; R279-E335 IonicContact NH1-OE2 3.85Å; R279-I339 HydrophobicContact CB-CD1 3.8Å; R279-I339 HydrophobicContact CG-CD1 4.32Å; R279-I339 WeakPolarHBondContact O-CD1 3.43Å; R279-I339 WeakPolarHBondContact O-CG1 3.39Å
280	S	88.1	Confident	77.7	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.014	21%	0.205	C	C	.	.	S	Bend	trans	-139.1	150.7	174.1	63	0	0	0	0	111.1	E205 R266	E205-S280 WeakPolarHBondContact OE1-CB 3.48Å; E205-S280 PolarHBondContact OE1-OG 3.24Å; R266-S280 PolarHBondContact NE-OG 2.89Å; R266-S280 VanDerWaalsContact NE-OG 3.12Å; R266-S280 PolarHBondContact NH2-O 2.87Å; R266-S280 PolarHBondContact NH2-OG 3.01Å
281	H	91.9	Very high	79.3	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	125.5	172.4	-45	-84.4	0	0	0	108.5	V206 D316 L317 A318 S342 L384	V206-H281 HydrophobicContact CB-CB 4.23Å; V206-H281 PolarHBondContact N-O 3.04Å; V206-H281 PolarHBondContact O-CD2 3.25Å; V206-H281 PolarHBondContact O-N 2.83Å; V206-H281 VanDerWaalsContact O-N 3.11Å; H281-D316 CarbonylContact C-O 3.51Å; H281-D316 WeakPolarHBondContact CA-O 3.47Å; H281-L317 HydrophobicContact CB-CD2 4.27Å; H281-L317 WeakPolarHBondContact ND1-CA 3.32Å; H281-L317 WeakPolarHBondContact ND1-CD2 3.38Å; H281-A318 VanDerWaalsContact CE1-CB 3.46Å; H281-A318 WeakPolarHBondContact CE1-CB 3.47Å; H281-A318 PolarHBondContact ND1-N 3.37Å; H281-S342 PolarHBondContact NE2-OG 3.3Å; H281-L384 HydrophobicContact CB-CD1 3.86Å
282	C	94.4	Very high	81.3	Confident	5 Å²	5	31 Å²	31	3%	0.034	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.9	173.2	-148.7	0	0	0	0	109	V315 D316	C282-V315 CarbonylContact O-C 3.6Å; C282-V315 VanDerWaalsContact O-CA 3.31Å; C282-V315 WeakPolarHBondContact O-CA 3.48Å; C282-D316 HydrophobicContact CB-CB 4.2Å; C282-D316 PolarHBondContact N-O 2.82Å; C282-D316 PolarHBondContact O-N 3.31Å
283	V	96.7	Very high	83.3	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	106.2	179.1	-178.8	0	0	0	0	107.9	I204 V206 V315 L387 F388	I204-V283 HydrophobicContact CB-CB 4.24Å; I204-V283 PolarHBondContact N-O 3.28Å; I204-V283 PolarHBondContact O-N 2.89Å; V206-V283 HydrophobicContact CG2-CG2 4.41Å; V283-V315 HydrophobicContact CG1-CG2 4.27Å; V283-V315 HydrophobicContact CG2-CG1 4.13Å; V283-V315 HydrophobicContact CG2-CG2 4.42Å; V283-L387 HydrophobicContact CG1-CD2 4.27Å; V283-L387 HydrophobicContact CG2-CD2 4.27Å; V283-F388 HydrophobicContact CB-CZ 4.44Å; V283-F388 HydrophobicContact CG1-CE1 4.12Å; V283-F388 HydrophobicContact CG1-CZ 3.79Å; V283-F388 HydrophobicContact CG2-CE2 4.34Å; V283-F388 HydrophobicContact CG2-CZ 3.75Å
284	F	97.6	Very high	85.4	Confident	3 Å²	3	26.3 Å²	26.3	1%	0.013	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	117.4	170.1	-173.6	-119.6	0	0	0	108.3	L117 L121 V201 L203 F259 I286 L314	L117-F284 HydrophobicContact CD1-CB 3.9Å; L117-F284 HydrophobicContact CD1-CD1 3.44Å; L117-F284 VanDerWaalsContact CD1-CD1 3.44Å; L117-F284 HydrophobicContact CD1-CE1 4.07Å; L117-F284 HydrophobicContact CD1-CG 3.81Å; L117-F284 HydrophobicContact CD2-CD1 4.32Å; L117-F284 HydrophobicContact CD2-CE1 4.12Å; L117-F284 HydrophobicContact CG-CD1 3.76Å; L117-F284 HydrophobicContact CG-CE1 3.98Å; L121-F284 HydrophobicContact CD1-CE1 4.12Å; L121-F284 HydrophobicContact CD1-CZ 4.33Å; L121-F284 HydrophobicContact CD2-CE1 4.22Å; L121-F284 HydrophobicContact CG-CE1 4.41Å; V201-F284 HydrophobicContact CB-CE2 3.91Å; V201-F284 HydrophobicContact CB-CZ 4.04Å; V201-F284 HydrophobicContact CG1-CE2 4.13Å; V201-F284 HydrophobicContact CG1-CZ 3.73Å; L203-F284 HydrophobicContact CB-CD2 4.22Å; L203-F284 HydrophobicContact CD1-CB 4.04Å; L203-F284 HydrophobicContact CD1-CD2 4.07Å; F259-F284 HydrophobicContact CB-CE2 4.4Å; F259-F284 HydrophobicContact CD2-CB 4.47Å; F259-F284 AromaticContact CD2-CD2 3.92Å; F259-F284 HydrophobicContact CD2-CD2 3.92Å; F259-F284 HydrophobicContact CD2-CE2 4.26Å; F259-F284 HydrophobicContact CD2-CG 4.17Å; F259-F284 HydrophobicContact CE2-CB 4.41Å; F284-I286 HydrophobicContact CD1-CD1 4.3Å; F284-I286 HydrophobicContact CD1-CG1 3.97Å; F284-I286 HydrophobicContact CE1-CD1 3.89Å; F284-I286 HydrophobicContact CE1-CG1 3.61Å; F284-I286 HydrophobicContact CZ-CG1 4.3Å; F284-L314 PolarHBondContact N-O 3.47Å; F284-L314 PolarHBondContact O-N 2.99Å
285	T	97.5	Very high	87	Confident	22 Å²	22	29.9 Å²	29.9	14%	0.135	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	116.3	-179.5	-63.6	0	0	0	0	109.1	V201 S202 R287 L312 C313	V201-T285 WeakPolarHBondContact CA-O 3.42Å; S202-T285 PolarHBondContact N-O 3.39Å; S202-T285 PolarHBondContact O-N 3.34Å; T285-R287 HydrophobicContact CG2-CG 4.02Å; T285-L312 WeakPolarHBondContact CA-O 3.43Å; T285-C313 PolarHBondContact OG1-SG 3.4Å
286	I	98.1	Very high	88.7	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.3	170.5	-48.9	164.7	0	0	0	106.9	F85 L121 I124 V199 F200 V201 F284 H311 L312	F85-I286 HydrophobicContact CE1-CG2 4.41Å; F85-I286 HydrophobicContact CZ-CB 4.27Å; F85-I286 HydrophobicContact CZ-CG2 3.89Å; L121-I286 HydrophobicContact CD2-CD1 3.69Å; L121-I286 HydrophobicContact CD2-CG1 4.28Å; L121-I286 HydrophobicContact CG-CD1 4.31Å; I124-I286 HydrophobicContact CD1-CD1 3.93Å; I124-I286 HydrophobicContact CD1-CG2 4.45Å; V199-I286 HydrophobicContact CG1-CG2 3.67Å; F200-I286 CarbonylContact O-C 3.52Å; F200-I286 WeakPolarHBondContact O-CA 3.12Å; V201-I286 HydrophobicContact CG1-CG1 4.32Å; V201-I286 HydrophobicContact CG1-CG2 4.42Å; F284-I286 HydrophobicContact CD1-CD1 4.3Å; F284-I286 HydrophobicContact CD1-CG1 3.97Å; F284-I286 HydrophobicContact CE1-CD1 3.89Å; F284-I286 HydrophobicContact CE1-CG1 3.61Å; F284-I286 HydrophobicContact CZ-CG1 4.3Å; I286-H311 CarbonylContact O-C 3.54Å; I286-H311 WeakPolarHBondContact O-CA 3.29Å; I286-L312 HydrophobicContact CB-CB 4.43Å; I286-L312 HydrophobicContact CD1-CD2 4.25Å; I286-L312 PolarHBondContact N-O 3.26Å; I286-L312 PolarHBondContact O-N 2.88Å
287	R	97.2	Very high	89.8	Confident	7 Å²	7	34.6 Å²	34.6	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.1	174.2	-54.2	179.4	74.3	-162.4	-0.8	108.4	N144 F146 F200 E246 T285 S310 H311	N144-R287 PolarHBondContact O-NH2 3.42Å; F146-R287 HydrophobicContact CE2-CB 4.31Å; F146-R287 HydrophobicContact CZ-CB 4.21Å; F200-R287 HydrophobicContact CB-CB 4.37Å; F200-R287 PolarHBondContact N-O 2.95Å; F200-R287 PolarHBondContact O-N 2.88Å; E246-R287 WeakPolarHBondContact OE1-CD 3.34Å; E246-R287 IonicContact OE1-CZ 2.73Å; E246-R287 IonicContact OE1-NE 3.22Å; E246-R287 IonicContact OE1-NH1 2.66Å; E246-R287 PolarHBondContact OE1-NH1 2.92Å; E246-R287 IonicContact OE2-NH1 3.55Å; E246-R287 PolarHBondContact OE2-NH1 2.94Å; T285-R287 HydrophobicContact CG2-CG 4.02Å; R287-S310 CarbonylContact C-O 3.56Å; R287-S310 VanDerWaalsContact CA-O 3.3Å; R287-S310 WeakPolarHBondContact CA-O 3.27Å; R287-H311 PolarHBondContact NE-CD2 2.84Å; R287-H311 VanDerWaalsContact NE-CD2 3.29Å; R287-H311 PolarHBondContact NE-NE2 2.91Å; R287-H311 PolarHBondContact NH2-NE2 3.05Å
288	L	96.9	Very high	90.7	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	115.8	176	-178.1	70.9	0	0	0	107.9	F85 L86 I128 F197 V199 I309 S310	F85-L288 HydrophobicContact CE1-CB 3.91Å; F85-L288 HydrophobicContact CE1-CD2 4.3Å; F85-L288 HydrophobicContact CE2-CB 3.89Å; F85-L288 HydrophobicContact CZ-CB 3.41Å; F85-L288 VanDerWaalsContact CZ-CB 3.41Å; L86-L288 HydrophobicContact CD2-CD2 4.08Å; I128-L288 HydrophobicContact CG2-CD1 4.39Å; F197-L288 HydrophobicContact CB-CD1 3.98Å; F197-L288 HydrophobicContact CD1-CD1 3.73Å; F197-L288 HydrophobicContact CD1-CD2 3.92Å; F197-L288 HydrophobicContact CD1-CG 3.85Å; F197-L288 HydrophobicContact CE1-CD2 4.13Å; F197-L288 HydrophobicContact CE1-CG 4.49Å; F197-L288 HydrophobicContact CG-CD1 4.25Å; V199-L288 HydrophobicContact CG2-CD1 3.92Å; L288-I309 WeakPolarHBondContact O-CA 3.39Å; L288-S310 PolarHBondContact N-O 2.99Å; L288-S310 PolarHBondContact O-N 3.12Å
289	V	95.9	Very high	91.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	113.9	172.6	-170.4	0	0	0	0	107.4	V138 F146 F197 A198 F200 V307 I309	V138-V289 HydrophobicContact CG1-CB 4.05Å; V138-V289 HydrophobicContact CG1-CG1 3.88Å; V138-V289 HydrophobicContact CG1-CG2 4.03Å; F146-V289 HydrophobicContact CB-CG1 4.35Å; F146-V289 HydrophobicContact CB-CG2 4.23Å; F146-V289 HydrophobicContact CD1-CG2 3.94Å; F146-V289 HydrophobicContact CD2-CG2 3.29Å; F146-V289 HydrophobicContact CE1-CG2 4.05Å; F146-V289 HydrophobicContact CE2-CG2 3.41Å; F146-V289 VanDerWaalsContact CE2-CG2 3.41Å; F146-V289 HydrophobicContact CG-CG2 3.56Å; F146-V289 HydrophobicContact CZ-CG2 3.8Å; F197-V289 CarbonylContact C-O 3.56Å; F197-V289 WeakPolarHBondContact CA-O 3.01Å; A198-V289 HydrophobicContact CB-CB 4.36Å; A198-V289 PolarHBondContact N-O 3.08Å; A198-V289 PolarHBondContact O-N 2.89Å; F200-V289 HydrophobicContact CD2-CG2 4.06Å; F200-V289 HydrophobicContact CE2-CG2 4.24Å; V289-V307 HydrophobicContact CG1-CG1 3.84Å; V289-I309 HydrophobicContact CG1-CG1 4.42Å
290	R	94.5	Very high	91.8	Very high	72 Å²	72	36.7 Å²	36.7	27%	0.272	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.6	174.2	-179.9	-176.4	169.6	-142	-11.2	108.9	P192 S195 L196 F197 V307 V308	P192-R290 VanDerWaalsContact CB-CZ 3.41Å; P192-R290 VanDerWaalsContact CB-NH2 3.35Å; S195-R290 VanDerWaalsContact OG-CZ 3.3Å; S195-R290 PolarHBondContact OG-NE 2.91Å; S195-R290 PolarHBondContact OG-NH2 3.11Å; L196-R290 WeakPolarHBondContact O-CA 3.46Å; F197-R290 HydrophobicContact CD1-CB 3.94Å; F197-R290 HydrophobicContact CD1-CG 4.12Å; F197-R290 HydrophobicContact CE1-CB 3.75Å; F197-R290 HydrophobicContact CE1-CG 3.56Å; F197-R290 HydrophobicContact CZ-CG 3.99Å; R290-V307 WeakPolarHBondContact O-CA 3.4Å; R290-V308 HydrophobicContact CB-CB 4.35Å; R290-V308 PolarHBondContact N-O 3.29Å; R290-V308 PolarHBondContact O-N 3.38Å
291	T	92.3	Very high	91.8	Very high	2 Å²	2	39 Å²	39	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	162.6	175.9	78.3	0	0	0	0	109.8	V138 I148 S195 L196 A300	V138-T291 HydrophobicContact CG2-CG2 4.31Å; I148-T291 HydrophobicContact CD1-CG2 3.42Å; I148-T291 VanDerWaalsContact CD1-CG2 3.42Å; I148-T291 HydrophobicContact CG1-CG2 4.07Å; S195-T291 VanDerWaalsContact CA-O 3.26Å; S195-T291 WeakPolarHBondContact CA-O 3.33Å; L196-T291 PolarHBondContact N-O 3.49Å; L196-T291 VanDerWaalsContact N-O 3.15Å; L196-T291 PolarHBondContact O-N 3.33Å; T291-A300 HydrophobicContact CG2-CB 4.41Å
292	G	90.6	Very high	91.4	Very high	16 Å²	16	43.2 Å²	43.2	17%	0.165	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	154.3	158.2	0	0	0	0	0	111.3	V301 S306	G292-V301 PolarHBondContact O-N 3.13Å; G292-S306 PolarHBondContact N-OG 2.8Å
293	Y	90.4	Very high	90.7	Very high	54 Å²	54	46.9 Å²	46.9	21%	0.212	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121	176.5	178.6	-148.2	0	0	0	110.3	K194 L196 T295 D298	K194-Y293 VanDerWaalsContact C-CB 3.47Å; K194-Y293 PolarHBondContact O-N 3.13Å; K194-Y293 VanDerWaalsContact O-N 3.13Å; L196-Y293 HydrophobicContact CD1-CD2 3.59Å; L196-Y293 HydrophobicContact CD1-CE2 4.04Å; L196-Y293 HydrophobicContact CD1-CG 4.4Å; L196-Y293 HydrophobicContact CD2-CD1 4.48Å; L196-Y293 HydrophobicContact CD2-CD2 3.82Å; L196-Y293 HydrophobicContact CD2-CE2 4.02Å; L196-Y293 HydrophobicContact CD2-CG 4.08Å; L196-Y293 HydrophobicContact CG-CD2 3.49Å; L196-Y293 VanDerWaalsContact CG-CD2 3.49Å; L196-Y293 HydrophobicContact CG-CE2 4.13Å; L196-Y293 HydrophobicContact CG-CG 3.81Å; Y293-T295 HydrophobicContact CD1-CG2 3.73Å; Y293-T295 HydrophobicContact CE1-CG2 3.62Å; Y293-T295 HydrophobicContact CG-CG2 4.43Å; Y293-T295 PolarHBondContact O-N 2.71Å; Y293-D298 PolarHBondContact OH-OD1 2.78Å
294	D	88.6	Confident	89.4	Confident	57 Å²	57	50.5 Å²	50.5	31%	0.305	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	99.2	169.4	-165.6	-23	0	0	0	110	K296 Y297 D298 E299 V301	D294-K296 PolarHBondContact O-N 3.34Å; D294-K296 VanDerWaalsContact O-N 3.11Å; D294-K296 VanDerWaalsContact OD1-CB 3.24Å; D294-K296 WeakPolarHBondContact OD1-CB 3.5Å; D294-K296 PolarHBondContact OD1-N 3.03Å; D294-Y297 PolarHBondContact O-N 2.72Å; D294-Y297 WeakPolarHBondContact OD2-CD2 3.45Å; D294-D298 PolarHBondContact O-N 3.18Å; D294-D298 VanDerWaalsContact O-N 3.08Å; D294-E299 PolarHBondContact N-O 2.82Å; D294-V301 HydrophobicContact CB-CG2 4.17Å
295	T	85	Confident	88.2	Confident	84 Å²	84	58 Å²	58	52%	0.515	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-10.2	177.3	50.6	0	0	0	0	114.2	K194 Y293	K194-T295 HydrophobicContact CG-CG2 4.46Å; Y293-T295 HydrophobicContact CD1-CG2 3.73Å; Y293-T295 HydrophobicContact CE1-CG2 3.62Å; Y293-T295 HydrophobicContact CG-CG2 4.43Å; Y293-T295 PolarHBondContact O-N 2.71Å
296	K	85.8	Confident	87.2	Confident	152 Å²	152	58.9 Å²	58.9	66%	0.661	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-33.5	176	-170.8	-173	169.9	-159.7	0	112.3	D294	D294-K296 PolarHBondContact O-N 3.34Å; D294-K296 VanDerWaalsContact O-N 3.11Å; D294-K296 VanDerWaalsContact OD1-CB 3.24Å; D294-K296 WeakPolarHBondContact OD1-CB 3.5Å; D294-K296 PolarHBondContact OD1-N 3.03Å
297	Y	85.2	Confident	86.7	Confident	136 Å²	136	59.5 Å²	59.5	53%	0.533	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-3.8	-172.8	-55.5	-62.5	0	0	0	114.2	D294 E299	D294-Y297 PolarHBondContact O-N 2.72Å; D294-Y297 WeakPolarHBondContact OD2-CD2 3.45Å; Y297-E299 VanDerWaalsContact C-N 3.29Å; Y297-E299 PolarHBondContact O-N 2.98Å
298	D	85.9	Confident	86.3	Confident	80 Å²	80	60.6 Å²	60.6	43%	0.428	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	41	-170.9	-175	51.2	0	0	0	112.5	K134 Y293 D294	K134-D298 WeakPolarHBondContact CE-OD2 3.46Å; K134-D298 PolarHBondContact NZ-O 2.76Å; K134-D298 IonicContact NZ-OD2 3.48Å; K134-D298 PolarHBondContact NZ-OD2 3.2Å; Y293-D298 PolarHBondContact OH-OD1 2.78Å; D294-D298 PolarHBondContact O-N 3.18Å; D294-D298 VanDerWaalsContact O-N 3.08Å
299	E	87.8	Confident	86.1	Confident	65 Å²	65	61.3 Å²	61.3	30%	0.304	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	153.5	-176.1	-76.6	-161.4	-164	0	0	113.5	D294 Y297	D294-E299 PolarHBondContact N-O 2.82Å; Y297-E299 VanDerWaalsContact C-N 3.29Å; Y297-E299 PolarHBondContact O-N 2.98Å
300	A	88.3	Confident	86	Confident	9 Å²	9	61.4 Å²	61.4	7%	0.074	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	126.4	168.9	0	0	0	0	0	109.7	T133 V137 I148 L196 T291 Q302	T133-A300 HydrophobicContact CG2-CB 4.14Å; V137-A300 HydrophobicContact CG1-CB 3.76Å; I148-A300 HydrophobicContact CG2-CB 4.25Å; L196-A300 HydrophobicContact CD1-CB 4.23Å; T291-A300 HydrophobicContact CG2-CB 4.41Å; A300-Q302 PolarHBondContact O-N 3.44Å; A300-Q302 VanDerWaalsContact O-N 3.14Å
301	V	87.3	Confident	86	Confident	50 Å²	50	59.4 Å²	59.4	30%	0.303	30%	0.297	S	S	.	.			trans	-63.1	117.9	177.2	175.9	0	0	0	0	109	I148 G292 D294 D303	I148-V301 VanDerWaalsContact CD1-O 3.31Å; I148-V301 WeakPolarHBondContact CD1-O 3.46Å; G292-V301 PolarHBondContact O-N 3.13Å; D294-V301 HydrophobicContact CB-CG2 4.17Å; V301-D303 HydrophobicContact CG1-CB 3.92Å; V301-D303 PolarHBondContact O-N 2.81Å
302	Q	84.3	Confident	86.2	Confident	91 Å²	91	59.4 Å²	59.4	43%	0.425	30%	0.297	S	S	.	.			trans	-75	-3.5	-175.7	-60.9	175.9	43.8	0	0	113.7	I148 A300 K304	I148-Q302 HydrophobicContact CG2-CG 4.1Å; A300-Q302 PolarHBondContact O-N 3.44Å; A300-Q302 VanDerWaalsContact O-N 3.14Å; Q302-K304 PolarHBondContact O-N 2.81Å
303	D	79.4	Confident	86.5	Confident	81 Å²	81	58.9 Å²	58.9	43%	0.433	29%	0.291	S	S	.	.			trans	-64.6	129.4	172.3	170.9	46.3	0	0	0	111.3	V301 E305 S306 V307	V301-D303 HydrophobicContact CG1-CB 3.92Å; V301-D303 PolarHBondContact O-N 2.81Å; D303-E305 PolarHBondContact OD1-N 3.29Å; D303-E305 PolarHBondContact OD2-N 2.77Å; D303-S306 PolarHBondContact O-OG 3.07Å; D303-S306 PolarHBondContact OD2-N 3Å; D303-V307 WeakPolarHBondContact O-CG2 3.49Å
304	K	69.3	Low	86.9	Confident	78 Å²	78	56.5 Å²	56.5	34%	0.339	28%	0.282	S	S	.	.	S	Bend	trans	-82.4	-22.9	-173.2	-59	-175.7	-175.7	-179.1	0	112.6	Q302 S306 V307 F439	Q302-K304 PolarHBondContact O-N 2.81Å; K304-S306 VanDerWaalsContact C-N 3.28Å; K304-V307 PolarHBondContact O-N 2.9Å; K304-F439 HydrophobicContact CD-CB 3.88Å; K304-F439 HydrophobicContact CD-CG 4.24Å
305	E	72.2	Confident	87.3	Confident	161 Å²	161	53.8 Å²	53.8	75%	0.752	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-24.1	176.6	-57.9	-165.9	174.9	0	0	111.4	D303 V307	D303-E305 PolarHBondContact OD1-N 3.29Å; D303-E305 PolarHBondContact OD2-N 2.77Å; E305-V307 VanDerWaalsContact C-N 3.27Å; E305-V307 PolarHBondContact O-N 3.46Å
306	S	76.2	Confident	87.8	Confident	39 Å²	39	50.1 Å²	50.1	27%	0.273	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.3	170.9	84.5	0	0	0	0	115.7	G292 D303 K304	G292-S306 PolarHBondContact N-OG 2.8Å; D303-S306 PolarHBondContact O-OG 3.07Å; D303-S306 PolarHBondContact OD2-N 3Å; K304-S306 VanDerWaalsContact C-N 3.28Å
307	V	87	Confident	88.2	Confident	13 Å²	13	43 Å²	43	8%	0.079	21%	0.214	C	C	.	.			trans	-87.3	122.2	-166.4	-172	0	0	0	0	112.2	I148 V289 R290 D303 K304 E305 I309	I148-V307 HydrophobicContact CD1-CG2 3.51Å; I148-V307 HydrophobicContact CG1-CG2 4.33Å; V289-V307 HydrophobicContact CG1-CG1 3.84Å; R290-V307 WeakPolarHBondContact O-CA 3.4Å; D303-V307 WeakPolarHBondContact O-CG2 3.49Å; K304-V307 PolarHBondContact O-N 2.9Å; E305-V307 VanDerWaalsContact C-N 3.27Å; E305-V307 PolarHBondContact O-N 3.46Å; V307-I309 HydrophobicContact CG1-CG1 4.27Å
308	V	90.1	Very high	88.4	Confident	31 Å²	31	36.5 Å²	36.5	19%	0.188	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.7	174.8	-178.9	0	0	0	0	108.9	R290 V434	R290-V308 HydrophobicContact CB-CB 4.35Å; R290-V308 PolarHBondContact N-O 3.29Å; R290-V308 PolarHBondContact O-N 3.38Å; V308-V434 HydrophobicContact CG1-CG1 4.29Å
309	I	92.4	Very high	88.5	Confident	16 Å²	16	32.8 Å²	32.8	8%	0.082	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	116.7	178.6	-53.6	160.7	0	0	0	108	F146 L288 V289 V307	F146-I309 HydrophobicContact CD2-CD1 3.83Å; F146-I309 HydrophobicContact CD2-CG1 4.11Å; F146-I309 HydrophobicContact CD2-CG2 4.19Å; F146-I309 HydrophobicContact CE2-CG2 3.93Å; L288-I309 WeakPolarHBondContact O-CA 3.39Å; V289-I309 HydrophobicContact CG1-CG1 4.42Å; V307-I309 HydrophobicContact CG1-CG1 4.27Å
310	S	93.9	Very high	88.5	Confident	2 Å²	2	30 Å²	30	1%	0.014	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	150.1	169.2	49.9	0	0	0	0	111.7	F85 K89 N90 R287 L288	F85-S310 WeakPolarHBondContact CE2-O 3.48Å; F85-S310 WeakPolarHBondContact O-CB 3.44Å; F85-S310 PolarHBondContact O-OG 2.99Å; K89-S310 VanDerWaalsContact O-CB 3.28Å; K89-S310 WeakPolarHBondContact O-CB 3.45Å; N90-S310 WeakPolarHBondContact OD1-CA 3.15Å; R287-S310 CarbonylContact C-O 3.56Å; R287-S310 VanDerWaalsContact CA-O 3.3Å; R287-S310 WeakPolarHBondContact CA-O 3.27Å; L288-S310 PolarHBondContact N-O 2.99Å; L288-S310 PolarHBondContact O-N 3.12Å
311	H	93.2	Very high	88.1	Confident	31 Å²	31	31.6 Å²	31.6	14%	0.144	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.1	179.7	-52.7	154.5	0	0	0	110.1	N90 G91 I286 R287	N90-H311 WeakPolarHBondContact CA-O 3.5Å; N90-H311 PolarHBondContact OD1-N 3.35Å; G91-H311 PolarHBondContact N-O 2.88Å; I286-H311 CarbonylContact O-C 3.54Å; I286-H311 WeakPolarHBondContact O-CA 3.29Å; R287-H311 PolarHBondContact NE-CD2 2.84Å; R287-H311 VanDerWaalsContact NE-CD2 3.29Å; R287-H311 PolarHBondContact NE-NE2 2.91Å; R287-H311 PolarHBondContact NH2-NE2 3.05Å
312	L	97.2	Very high	87.4	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	110.6	168.4	176.6	59	0	0	0	108.9	V81 V82 F85 G91 I124 T285 I286 L314	V81-L312 HydrophobicContact CG1-CD1 3.78Å; V82-L312 HydrophobicContact CG2-CD2 3.92Å; F85-L312 HydrophobicContact CB-CB 4.38Å; F85-L312 HydrophobicContact CD1-CB 4.23Å; F85-L312 HydrophobicContact CD1-CD2 4.32Å; F85-L312 HydrophobicContact CD2-CB 3.5Å; F85-L312 HydrophobicContact CE1-CB 4.36Å; F85-L312 HydrophobicContact CE2-CB 3.63Å; F85-L312 VanDerWaalsContact CE2-N 3.3Å; F85-L312 HydrophobicContact CG-CB 3.79Å; F85-L312 HydrophobicContact CG-CD2 4.44Å; F85-L312 HydrophobicContact CZ-CB 4.05Å; G91-L312 WeakPolarHBondContact O-CA 3.27Å; I124-L312 HydrophobicContact CD1-CD2 4.13Å; T285-L312 WeakPolarHBondContact CA-O 3.43Å; I286-L312 HydrophobicContact CB-CB 4.43Å; I286-L312 HydrophobicContact CD1-CD2 4.25Å; I286-L312 PolarHBondContact N-O 3.26Å; I286-L312 PolarHBondContact O-N 2.88Å; L312-L314 HydrophobicContact CD1-CD2 3.94Å; L312-L314 HydrophobicContact CD2-CD2 4.4Å; L312-L314 HydrophobicContact CG-CD2 4.05Å; L312-L314 HydrophobicContact CG-CG 4.21Å
313	C	97.6	Very high	86.6	Confident	6 Å²	6	32 Å²	32	4%	0.041	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	109.8	177.9	-72.2	0	0	0	0	110.2	G91 L92 L93 T285 V315 F388 F391	G91-C313 PolarHBondContact O-N 2.79Å; L92-C313 WeakPolarHBondContact CA-O 3.08Å; L92-C313 HydrophobicContact CB-CB 4.5Å; L92-C313 HydrophobicContact CD1-CB 3.51Å; L93-C313 PolarHBondContact N-O 3.42Å; T285-C313 PolarHBondContact OG1-SG 3.4Å; C313-V315 HydrophobicContact CB-CG2 4.42Å; C313-F388 HydrophobicContact CB-CE1 4.21Å; C313-F391 HydrophobicContact CB-CZ 4.36Å
314	L	98	Very high	85.8	Confident	3 Å²	3	33 Å²	33	2%	0.016	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	120.4	173.4	-59	-175.8	0	0	0	109	L93 M107 I116 L117 F284 L312	L93-L314 HydrophobicContact CB-CD2 3.96Å; M107-L314 HydrophobicContact CE-CB 4.4Å; M107-L314 HydrophobicContact SD-CB 3.83Å; I116-L314 HydrophobicContact CG2-CD1 4.39Å; I116-L314 HydrophobicContact CG2-CD2 4.12Å; L117-L314 HydrophobicContact CB-CD1 3.97Å; L117-L314 HydrophobicContact CG-CD1 4.08Å; F284-L314 PolarHBondContact N-O 3.47Å; F284-L314 PolarHBondContact O-N 2.99Å; L312-L314 HydrophobicContact CD1-CD2 3.94Å; L312-L314 HydrophobicContact CD2-CD2 4.4Å; L312-L314 HydrophobicContact CG-CD2 4.05Å; L312-L314 HydrophobicContact CG-CG 4.21Å
315	V	97.1	Very high	85.6	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	112.9	-165	-174.9	0	0	0	0	112.2	L92 L93 F94 T95 C282 V283 C313 L317 F388	L92-V315 HydrophobicContact CD1-CG2 3.85Å; L93-V315 PolarHBondContact O-N 3.02Å; F94-V315 WeakPolarHBondContact CA-O 3.01Å; F94-V315 HydrophobicContact CD1-CB 3.61Å; F94-V315 HydrophobicContact CD1-CG1 3.61Å; F94-V315 HydrophobicContact CD1-CG2 4.1Å; F94-V315 HydrophobicContact CE1-CB 4.06Å; F94-V315 HydrophobicContact CE1-CG1 3.9Å; F94-V315 HydrophobicContact CE1-CG2 4.11Å; F94-V315 HydrophobicContact CG-CB 4.46Å; T95-V315 PolarHBondContact N-O 3.4Å; T95-V315 PolarHBondContact OG1-O 2.86Å; C282-V315 CarbonylContact O-C 3.6Å; C282-V315 VanDerWaalsContact O-CA 3.31Å; C282-V315 WeakPolarHBondContact O-CA 3.48Å; V283-V315 HydrophobicContact CG1-CG2 4.27Å; V283-V315 HydrophobicContact CG2-CG1 4.13Å; V283-V315 HydrophobicContact CG2-CG2 4.42Å; C313-V315 HydrophobicContact CB-CG2 4.42Å; V315-L317 HydrophobicContact CG1-CD2 3.63Å; V315-L317 HydrophobicContact CG1-CG 4.15Å; V315-F388 HydrophobicContact CG1-CE2 4.39Å; V315-F388 HydrophobicContact CG1-CZ 4.31Å; V315-F388 HydrophobicContact CG2-CE1 4Å; V315-F388 HydrophobicContact CG2-CE2 4.26Å; V315-F388 HydrophobicContact CG2-CZ 3.52Å
316	D	95.5	Very high	85.1	Confident	7 Å²	7	29.6 Å²	29.6	4%	0.037	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	103.1	168.4	-163.4	39.1	0	0	0	109.8	T95 K103 T104 M107 H281 C282	T95-D316 WeakPolarHBondContact OG1-CA 3.49Å; T95-D316 PolarHBondContact OG1-OD1 3.45Å; K103-D316 VanDerWaalsContact CB-OD1 3.31Å; K103-D316 WeakPolarHBondContact CB-OD1 3.46Å; T104-D316 WeakPolarHBondContact CB-OD2 3.37Å; T104-D316 PolarHBondContact N-OD1 2.94Å; T104-D316 PolarHBondContact OG1-OD2 2.65Å; M107-D316 HydrophobicContact CB-CB 4.44Å; M107-D316 HydrophobicContact CG-CB 4.32Å; H281-D316 CarbonylContact C-O 3.51Å; H281-D316 WeakPolarHBondContact CA-O 3.47Å; C282-D316 HydrophobicContact CB-CB 4.2Å; C282-D316 PolarHBondContact N-O 2.82Å; C282-D316 PolarHBondContact O-N 3.31Å
317	L	93.8	Very high	84.4	Confident	3 Å²	3	30.8 Å²	30.8	2%	0.016	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-74.4	153.2	-179.8	-62.1	175.4	0	0	0	111.4	F94 T95 Y96 K103 H281 V315 L343 L346 L384	F94-L317 HydrophobicContact CB-CD1 4.13Å; F94-L317 HydrophobicContact CD1-CD1 3.86Å; F94-L317 HydrophobicContact CD1-CD2 3.86Å; F94-L317 HydrophobicContact CD1-CG 3.93Å; F94-L317 HydrophobicContact CE1-CD2 4.19Å; F94-L317 HydrophobicContact CG-CD1 4.28Å; T95-L317 VanDerWaalsContact O-CB 3.26Å; T95-L317 WeakPolarHBondContact O-CB 3.5Å; T95-L317 WeakPolarHBondContact O-CG 3.33Å; T95-L317 PolarHBondContact O-N 3.18Å; Y96-L317 HydrophobicContact CD2-CD1 3.98Å; K103-L317 WeakPolarHBondContact CE-O 3.15Å; H281-L317 HydrophobicContact CB-CD2 4.27Å; H281-L317 WeakPolarHBondContact ND1-CA 3.32Å; H281-L317 WeakPolarHBondContact ND1-CD2 3.38Å; V315-L317 HydrophobicContact CG1-CD2 3.63Å; V315-L317 HydrophobicContact CG1-CG 4.15Å; L317-L343 HydrophobicContact CB-CD2 4.43Å; L317-L343 HydrophobicContact CD1-CD2 4.27Å; L317-L346 HydrophobicContact CD1-CD2 4.21Å; L317-L384 HydrophobicContact CD2-CD1 4.13Å; L317-L384 HydrophobicContact CD2-CD2 3.97Å
318	A	90.7	Very high	83.3	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-58.8	162.2	170.5	0	0	0	0	0	112.6	S278 H281 S320 I339	S278-A318 CarbonylContact O-C 3.49Å; S278-A318 WeakPolarHBondContact O-CA 3.49Å; S278-A318 WeakPolarHBondContact O-CB 3.41Å; H281-A318 VanDerWaalsContact CE1-CB 3.46Å; H281-A318 WeakPolarHBondContact CE1-CB 3.47Å; H281-A318 PolarHBondContact ND1-N 3.37Å; A318-S320 PolarHBondContact O-N 3.44Å; A318-I339 HydrophobicContact CB-CG2 3.53Å
319	G	87.6	Confident	82.1	Confident	2 Å²	2	37.1 Å²	37.1	2%	0.021	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-54.2	134.4	173.7	0	0	0	0	0	112.7	S278 E321 L343	S278-G319 PolarHBondContact O-N 3.23Å; G319-E321 VanDerWaalsContact C-OE2 3.24Å; G319-E321 WeakPolarHBondContact CA-OE2 3.43Å; G319-L343 WeakPolarHBondContact O-CD1 3.33Å
320	S	87	Confident	81.2	Confident	6 Å²	6	38.8 Å²	38.8	4%	0.042	23%	0.225	C	C	.	.			trans	-87.4	-5.8	-179.6	64.4	0	0	0	0	114.8	Y96 G97 V98 A318 V417	Y96-S320 VanDerWaalsContact OH-CB 3.3Å; Y96-S320 WeakPolarHBondContact OH-CB 3.19Å; G97-S320 PolarHBondContact O-N 3.16Å; G97-S320 PolarHBondContact O-OG 3.36Å; V98-S320 PolarHBondContact N-OG 3.24Å; A318-S320 PolarHBondContact O-N 3.44Å; S320-V417 VanDerWaalsContact OG-CG2 3.23Å; S320-V417 WeakPolarHBondContact OG-CG2 3.13Å
321	E	79.9	Confident	80.2	Confident	43 Å²	43	44.9 Å²	44.9	20%	0.201	26%	0.258	C	S	.	.	S	Bend	trans	-63.4	145.7	-176.5	61.6	-80.4	-176.4	0	0	113.1	V98 T99 G319 N340 E413	V98-E321 WeakPolarHBondContact CA-OE2 3.48Å; V98-E321 HydrophobicContact CG1-CB 4.29Å; T99-E321 VanDerWaalsContact CB-OE1 3.31Å; T99-E321 WeakPolarHBondContact CB-OE1 3.37Å; T99-E321 PolarHBondContact N-OE2 3.41Å; T99-E321 PolarHBondContact OG1-OE1 2.75Å; T99-E321 PolarHBondContact OG1-OE2 3.02Å; G319-E321 VanDerWaalsContact C-OE2 3.24Å; G319-E321 WeakPolarHBondContact CA-OE2 3.43Å; E321-N340 PolarHBondContact O-ND2 3.28Å; E321-E413 HydrophobicContact CB-CG 4.4Å
322	R	72.3	Confident	79.2	Confident	119 Å²	119	49 Å²	49	45%	0.449	27%	0.272	S	S	.	.			trans	-69.6	139.4	-176.9	-67	169.8	173.5	-178.8	-1	111.2	S324 R325 E413 H416	R322-S324 WeakPolarHBondContact CB-OG 3.41Å; R322-S324 PolarHBondContact O-N 3.31Å; R322-R325 PolarHBondContact O-N 2.82Å; R322-E413 WeakPolarHBondContact CB-OE1 3.33Å; R322-E413 WeakPolarHBondContact CD-OE1 3.42Å; R322-E413 WeakPolarHBondContact CG-OE1 3.4Å; R322-E413 PolarHBondContact N-OE1 3.37Å; R322-H416 PolarHBondContact NH1-CE1 3.16Å; R322-H416 VanDerWaalsContact NH1-CE1 3.32Å; R322-H416 PolarHBondContact NH2-CD2 2.78Å; R322-H416 PolarHBondContact NH2-CE1 2.9Å; R322-H416 PolarHBondContact NH2-ND1 3.48Å; R322-H416 PolarHBondContact NH2-NE2 3.2Å
323	T	68.3	Low	78.1	Confident	31 Å²	31	53 Å²	53	19%	0.19	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-49	-30.8	177.8	-54.8	0	0	0	0	113.5	R325 S326 L333 A336 N340	T323-R325 VanDerWaalsContact C-N 3.31Å; T323-R325 PolarHBondContact O-N 3.25Å; T323-S326 WeakPolarHBondContact O-CB 3.24Å; T323-S326 PolarHBondContact O-N 3.4Å; T323-S326 VanDerWaalsContact O-N 3.12Å; T323-S326 PolarHBondContact O-OG 2.93Å; T323-L333 HydrophobicContact CG2-CD1 3.5Å; T323-L333 VanDerWaalsContact CG2-CD1 3.5Å; T323-A336 HydrophobicContact CG2-CB 3.7Å; T323-N340 PolarHBondContact N-ND2 2.64Å; T323-N340 PolarHBondContact OG1-ND2 2.95Å
324	S	62.9	Low	77.1	Confident	101 Å²	101	59 Å²	59	71%	0.706	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-56.8	-35	173.8	47.3	0	0	0	0	114.5	R322 S326	R322-S324 WeakPolarHBondContact CB-OG 3.41Å; R322-S324 PolarHBondContact O-N 3.31Å; S324-S326 VanDerWaalsContact C-N 3.34Å
325	R	64	Low	75.9	Confident	114 Å²	114	59.4 Å²	59.4	43%	0.43	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-75.4	-22.4	176.9	-67.9	-165.5	66.8	175.4	-5.8	113.2	R322 T323 G327 E409 E410	R322-R325 PolarHBondContact O-N 2.82Å; T323-R325 VanDerWaalsContact C-N 3.31Å; T323-R325 PolarHBondContact O-N 3.25Å; R325-G327 VanDerWaalsContact C-N 3.28Å; R325-G327 PolarHBondContact O-N 3.17Å; R325-E409 PolarHBondContact NH1-O 2.96Å; R325-E409 PolarHBondContact NH2-O 3.33Å; R325-E410 IonicContact CZ-OE1 2.64Å; R325-E410 VanDerWaalsContact CZ-OE1 3.28Å; R325-E410 IonicContact CZ-OE2 2.98Å; R325-E410 IonicContact NH1-OE1 3.59Å; R325-E410 PolarHBondContact NH1-OE1 2.92Å; R325-E410 VanDerWaalsContact NH1-OE1 3.16Å; R325-E410 IonicContact NH1-OE2 3.81Å; R325-E410 PolarHBondContact NH1-OE2 3.34Å; R325-E410 IonicContact NH2-OE1 2.76Å; R325-E410 PolarHBondContact NH2-OE1 3.33Å; R325-E410 IonicContact NH2-OE2 3.39Å
326	S	61.9	Low	74.9	Confident	54 Å²	54	60 Å²	60	38%	0.378	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-73.9	-14.3	-173.9	74.8	0	0	0	0	114.8	T323 S324 T328	T323-S326 WeakPolarHBondContact O-CB 3.24Å; T323-S326 PolarHBondContact O-N 3.4Å; T323-S326 VanDerWaalsContact O-N 3.12Å; T323-S326 PolarHBondContact O-OG 2.93Å; S324-S326 VanDerWaalsContact C-N 3.34Å; S326-T328 PolarHBondContact O-N 3.44Å; S326-T328 WeakPolarHBondContact OG-CG2 3.4Å; S326-T328 PolarHBondContact OG-N 3.49Å; S326-T328 PolarHBondContact OG-OG1 2.86Å
327	G	61.2	Low	74.1	Confident	64 Å²	64	62.9 Å²	62.9	66%	0.66	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	10.1	-173.5	0	0	0	0	0	115	R325	R325-G327 VanDerWaalsContact C-N 3.28Å; R325-G327 PolarHBondContact O-N 3.17Å
328	T	64.9	Low	73.5	Confident	17 Å²	17	64 Å²	64	10%	0.104	35%	0.351	C	S	.	.			trans	-73.9	137	-166.5	51.5	0	0	0	0	113.4	S326 R332 L333	S326-T328 PolarHBondContact O-N 3.44Å; S326-T328 WeakPolarHBondContact OG-CG2 3.4Å; S326-T328 PolarHBondContact OG-N 3.49Å; S326-T328 PolarHBondContact OG-OG1 2.86Å; T328-R332 HydrophobicContact CG2-CB 3.71Å; T328-L333 WeakPolarHBondContact O-CD1 3.24Å
329	Q	65.7	Low	73	Confident	159 Å²	159	64.7 Å²	64.7	74%	0.743	36%	0.355	S	S	*	.			trans	-114	157.4	178.5	-72.2	-72.7	-10.1	0	0	111.1	N331 R332	Q329-N331 PolarHBondContact O-N 3.22Å; Q329-R332 PolarHBondContact O-N 2.82Å
330	G	73.5	Confident	72.7	Confident	51 Å²	51	65.8 Å²	65.8	53%	0.526	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	-128.2	172.6	0	0	0	0	0	114.1	R332 L333	G330-R332 VanDerWaalsContact C-N 3.3Å; G330-R332 PolarHBondContact O-N 2.86Å; G330-L333 WeakPolarHBondContact O-CB 3.27Å; G330-L333 PolarHBondContact O-N 3.11Å
331	N	71.7	Confident	72.7	Confident	131 Å²	131	67.7 Å²	67.7	70%	0.701	37%	0.37	S	S	*	.	H	α-helix	trans	-64.1	-33.1	-177.4	-73.1	-20.3	0	0	0	113.2	Q329 L333 K334 E335	Q329-N331 PolarHBondContact O-N 3.22Å; N331-L333 PolarHBondContact O-N 2.68Å; N331-K334 PolarHBondContact O-N 3.08Å; N331-K334 VanDerWaalsContact O-N 3.13Å; N331-E335 PolarHBondContact O-N 2.84Å; N331-E335 VanDerWaalsContact O-N 3.11Å
332	R	71.9	Confident	73.1	Confident	118 Å²	118	66 Å²	66	45%	0.445	36%	0.363	S	S	.	.	H	α-helix	trans	-63.2	-29.5	177.1	-67.4	179.3	168.2	172.9	-3.8	112.3	L273 N274 T328 Q329 G330 E335 A336	L273-R332 PolarHBondContact O-NH2 2.82Å; N274-R332 WeakPolarHBondContact OD1-CD 3.32Å; N274-R332 WeakPolarHBondContact OD1-CG 3.33Å; N274-R332 PolarHBondContact OD1-NE 2.88Å; T328-R332 HydrophobicContact CG2-CB 3.71Å; Q329-R332 PolarHBondContact O-N 2.82Å; G330-R332 VanDerWaalsContact C-N 3.3Å; G330-R332 PolarHBondContact O-N 2.86Å; R332-E335 WeakPolarHBondContact O-CB 3.34Å; R332-A336 WeakPolarHBondContact O-CB 3.27Å; R332-A336 PolarHBondContact O-N 3.21Å
333	L	75	Confident	73.7	Confident	83 Å²	83	60.4 Å²	60.4	44%	0.435	34%	0.342	S	S	.	.	H	α-helix	trans	-67.4	-39.9	174.8	-172.4	73.6	0	0	0	111.8	T323 T328 G330 N331 S337	T323-L333 HydrophobicContact CG2-CD1 3.5Å; T323-L333 VanDerWaalsContact CG2-CD1 3.5Å; T328-L333 WeakPolarHBondContact O-CD1 3.24Å; G330-L333 WeakPolarHBondContact O-CB 3.27Å; G330-L333 PolarHBondContact O-N 3.11Å; N331-L333 PolarHBondContact O-N 2.68Å; L333-S337 VanDerWaalsContact O-CB 3.24Å; L333-S337 WeakPolarHBondContact O-CB 3.32Å; L333-S337 PolarHBondContact O-N 3.49Å
334	K	76.6	Confident	74.5	Confident	134 Å²	134	62.8 Å²	62.8	58%	0.583	35%	0.352	S	S	*	.	H	α-helix	trans	-68.7	-39.5	177.1	-63.8	-175.5	177.8	-178.8	0	111.9	N331 S337 N338	N331-K334 PolarHBondContact O-N 3.08Å; N331-K334 VanDerWaalsContact O-N 3.13Å; K334-S337 WeakPolarHBondContact O-CB 3.34Å; K334-S337 PolarHBondContact O-N 2.81Å; K334-N338 PolarHBondContact O-N 3.14Å
335	E	73.7	Confident	75.8	Confident	10 Å²	10	58.2 Å²	58.2	5%	0.047	32%	0.319	C	S	.	.	H	α-helix	trans	-59.6	-55.8	172.8	173	-163.6	141.8	0	0	111.4	Y207 N274 R279 N331 R332 S337 N338 I339	Y207-E335 HydrophobicContact CE2-CG 3.83Å; Y207-E335 VanDerWaalsContact OH-CD 3.29Å; Y207-E335 PolarHBondContact OH-OE2 3.41Å; N274-E335 PolarHBondContact ND2-OE1 2.94Å; N274-E335 VanDerWaalsContact ND2-OE1 3.08Å; N274-E335 PolarHBondContact ND2-OE2 2.96Å; R279-E335 WeakPolarHBondContact CD-OE1 3.35Å; R279-E335 IonicContact CZ-OE1 2.87Å; R279-E335 IonicContact NE-OE1 2.74Å; R279-E335 IonicContact NH1-OE1 3.72Å; R279-E335 PolarHBondContact NH1-OE1 2.99Å; R279-E335 IonicContact NH1-OE2 3.85Å; N331-E335 PolarHBondContact O-N 2.84Å; N331-E335 VanDerWaalsContact O-N 3.11Å; R332-E335 WeakPolarHBondContact O-CB 3.34Å; E335-S337 VanDerWaalsContact C-N 3.29Å; E335-S337 PolarHBondContact O-N 3.31Å; E335-N338 PolarHBondContact O-N 2.9Å; E335-I339 HydrophobicContact CG-CD1 4.19Å; E335-I339 WeakPolarHBondContact O-CD1 3.24Å; E335-I339 WeakPolarHBondContact O-CG1 3.08Å; E335-I339 PolarHBondContact O-N 3.13Å
336	A	74.7	Confident	77	Confident	13 Å²	13	53 Å²	53	11%	0.107	30%	0.3	C	S	.	.	H	α-helix	trans	-58	-38.9	175.2	0	0	0	0	0	112.7	T323 R332 I339 N340	T323-A336 HydrophobicContact CG2-CB 3.7Å; R332-A336 WeakPolarHBondContact O-CB 3.27Å; R332-A336 PolarHBondContact O-N 3.21Å; A336-I339 PolarHBondContact O-N 3.06Å; A336-N340 WeakPolarHBondContact O-CB 3.01Å; A336-N340 PolarHBondContact O-N 2.87Å
337	S	78.1	Confident	78.1	Confident	67 Å²	67	54 Å²	54	47%	0.469	30%	0.296	S	S	.	.	H	α-helix	trans	-61.5	-44.8	172.4	-173.2	0	0	0	0	112.3	L333 K334 E335 N340 N341	L333-S337 VanDerWaalsContact O-CB 3.24Å; L333-S337 WeakPolarHBondContact O-CB 3.32Å; L333-S337 PolarHBondContact O-N 3.49Å; K334-S337 WeakPolarHBondContact O-CB 3.34Å; K334-S337 PolarHBondContact O-N 2.81Å; E335-S337 VanDerWaalsContact C-N 3.29Å; E335-S337 PolarHBondContact O-N 3.31Å; S337-N340 PolarHBondContact O-N 3.4Å; S337-N341 WeakPolarHBondContact O-CB 3.48Å; S337-N341 PolarHBondContact O-N 3.14Å
338	N	81.9	Confident	79.4	Confident	27 Å²	27	55 Å²	55	14%	0.144	28%	0.282	C	S	.	.	H	α-helix	trans	-70.6	-31.5	179.1	-87.6	-41.4	0	0	0	113.8	N208 K334 E335 S342	N208-N338 WeakPolarHBondContact OD1-CB 3.45Å; N208-N338 PolarHBondContact OD1-ND2 3.49Å; K334-N338 PolarHBondContact O-N 3.14Å; E335-N338 PolarHBondContact O-N 2.9Å; N338-S342 PolarHBondContact O-N 3.39Å; N338-S342 PolarHBondContact O-OG 3.49Å
339	I	79.8	Confident	80.4	Confident	14 Å²	14	54.2 Å²	54.2	7%	0.072	28%	0.277	C	S	.	.	H	α-helix	trans	-61.2	-56.7	169.5	-66.9	156.8	0	0	0	109.2	R279 A318 E335 A336 N341 S342 L343	R279-I339 HydrophobicContact CB-CD1 3.8Å; R279-I339 HydrophobicContact CG-CD1 4.32Å; R279-I339 WeakPolarHBondContact O-CD1 3.43Å; R279-I339 WeakPolarHBondContact O-CG1 3.39Å; A318-I339 HydrophobicContact CB-CG2 3.53Å; E335-I339 HydrophobicContact CG-CD1 4.19Å; E335-I339 WeakPolarHBondContact O-CD1 3.24Å; E335-I339 WeakPolarHBondContact O-CG1 3.08Å; E335-I339 PolarHBondContact O-N 3.13Å; A336-I339 PolarHBondContact O-N 3.06Å; I339-N341 VanDerWaalsContact C-N 3.29Å; I339-N341 PolarHBondContact O-N 3.21Å; I339-S342 PolarHBondContact O-N 2.94Å; I339-S342 PolarHBondContact O-OG 3.48Å; I339-L343 PolarHBondContact O-N 2.93Å; I339-L343 VanDerWaalsContact O-N 3.14Å
340	N	82.1	Confident	81.2	Confident	25 Å²	25	47.1 Å²	47.1	13%	0.134	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-32.2	179.1	-93.7	-57	0	0	0	113.4	E321 T323 A336 S337 M344	E321-N340 PolarHBondContact O-ND2 3.28Å; T323-N340 PolarHBondContact N-ND2 2.64Å; T323-N340 PolarHBondContact OG1-ND2 2.95Å; A336-N340 WeakPolarHBondContact O-CB 3.01Å; A336-N340 PolarHBondContact O-N 2.87Å; S337-N340 PolarHBondContact O-N 3.4Å; N340-M344 WeakPolarHBondContact O-CB 3.34Å; N340-M344 PolarHBondContact O-N 2.86Å
341	N	86.8	Confident	81.6	Confident	47 Å²	47	50.2 Å²	50.2	25%	0.251	24%	0.243	S	C	.	.	H	α-helix	trans	-65	-43.3	172.6	-174.4	17.9	0	0	0	111.5	S337 I339 L343 M344 N345	S337-N341 WeakPolarHBondContact O-CB 3.48Å; S337-N341 PolarHBondContact O-N 3.14Å; I339-N341 VanDerWaalsContact C-N 3.29Å; I339-N341 PolarHBondContact O-N 3.21Å; N341-L343 PolarHBondContact O-N 2.62Å; N341-M344 PolarHBondContact O-N 2.93Å; N341-N345 WeakPolarHBondContact O-CB 3.46Å; N341-N345 PolarHBondContact O-N 3.18Å; N341-N345 PolarHBondContact O-ND2 2.84Å; N341-N345 VanDerWaalsContact O-ND2 3.13Å; N341-N345 PolarHBondContact OD1-ND2 3.41Å
342	S	88.4	Confident	82	Confident	7 Å²	7	45 Å²	45	5%	0.049	22%	0.218	C	C	.	.	H	α-helix	trans	-63.6	-41.2	177.3	67.8	0	0	0	0	112.9	H281 N338 I339 N345 L346	H281-S342 PolarHBondContact NE2-OG 3.3Å; N338-S342 PolarHBondContact O-N 3.39Å; N338-S342 PolarHBondContact O-OG 3.49Å; I339-S342 PolarHBondContact O-N 2.94Å; I339-S342 PolarHBondContact O-OG 3.48Å; S342-N345 PolarHBondContact O-N 3.43Å; S342-L346 PolarHBondContact O-N 2.8Å; S342-L346 VanDerWaalsContact O-N 3.13Å
343	L	85.4	Confident	82.3	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-69	-41.7	173	-67.6	178.2	0	0	0	112	Y96 L317 G319 I339 N341 N345 L346 R347	Y96-L343 HydrophobicContact CD2-CD2 4.38Å; Y96-L343 HydrophobicContact CE2-CD1 4.32Å; Y96-L343 HydrophobicContact CE2-CD2 4.15Å; L317-L343 HydrophobicContact CB-CD2 4.43Å; L317-L343 HydrophobicContact CD1-CD2 4.27Å; G319-L343 WeakPolarHBondContact O-CD1 3.33Å; I339-L343 PolarHBondContact O-N 2.93Å; I339-L343 VanDerWaalsContact O-N 3.14Å; N341-L343 PolarHBondContact O-N 2.62Å; L343-N345 VanDerWaalsContact C-N 3.3Å; L343-N345 PolarHBondContact O-N 2.88Å; L343-L346 WeakPolarHBondContact O-CB 3.21Å; L343-L346 PolarHBondContact O-N 2.9Å; L343-R347 WeakPolarHBondContact O-CG 3.39Å; L343-R347 PolarHBondContact O-N 2.84Å
344	M	85.6	Confident	82.3	Confident	82 Å²	82	39.2 Å²	39.2	40%	0.404	19%	0.192	S	C	.	.	H	α-helix	trans	-59.9	-39.8	174.7	178	178.5	58.8	0	0	111.9	N340 N341 L346 R347 K348	N340-M344 WeakPolarHBondContact O-CB 3.34Å; N340-M344 PolarHBondContact O-N 2.86Å; N341-M344 PolarHBondContact O-N 2.93Å; M344-L346 VanDerWaalsContact C-N 3.34Å; M344-R347 WeakPolarHBondContact O-CB 3.3Å; M344-R347 PolarHBondContact O-N 2.92Å; M344-K348 WeakPolarHBondContact O-CG 3.42Å; M344-K348 PolarHBondContact O-N 2.9Å
345	N	88.9	Confident	82.2	Confident	4 Å²	4	35.4 Å²	35.4	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-71.8	-30.1	178	-63.5	-26.2	0	0	0	111.8	N341 S342 L343 K348 C349 D381 A382 T385	N341-N345 WeakPolarHBondContact O-CB 3.46Å; N341-N345 PolarHBondContact O-N 3.18Å; N341-N345 PolarHBondContact O-ND2 2.84Å; N341-N345 VanDerWaalsContact O-ND2 3.13Å; N341-N345 PolarHBondContact OD1-ND2 3.41Å; S342-N345 PolarHBondContact O-N 3.43Å; L343-N345 VanDerWaalsContact C-N 3.3Å; L343-N345 PolarHBondContact O-N 2.88Å; N345-K348 PolarHBondContact O-N 2.82Å; N345-K348 WeakPolarHBondContact OD1-CD 3.35Å; N345-K348 WeakPolarHBondContact OD1-CE 3.26Å; N345-K348 PolarHBondContact OD1-NZ 2.9Å; N345-C349 PolarHBondContact O-N 2.91Å; N345-C349 PolarHBondContact O-SG 3.22Å; N345-D381 HydrophobicContact CB-CB 4.34Å; N345-A382 HydrophobicContact CB-CB 4.07Å; N345-T385 HydrophobicContact CB-CG2 4.37Å
346	L	88.5	Confident	82.1	Confident	6 Å²	6	37 Å²	37	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-60.4	-47.3	166.3	177.3	61	0	0	0	110.8	L317 S342 L343 M344 K348 C349 I350 T385 F392 F420	L317-L346 HydrophobicContact CD1-CD2 4.21Å; S342-L346 PolarHBondContact O-N 2.8Å; S342-L346 VanDerWaalsContact O-N 3.13Å; L343-L346 WeakPolarHBondContact O-CB 3.21Å; L343-L346 PolarHBondContact O-N 2.9Å; M344-L346 VanDerWaalsContact C-N 3.34Å; L346-K348 VanDerWaalsContact C-N 3.31Å; L346-K348 PolarHBondContact O-N 2.96Å; L346-C349 PolarHBondContact O-N 2.83Å; L346-I350 HydrophobicContact CD1-CD1 3.84Å; L346-I350 HydrophobicContact CD1-CG1 4.36Å; L346-I350 HydrophobicContact CG-CD1 3.96Å; L346-I350 WeakPolarHBondContact O-CB 3.3Å; L346-I350 WeakPolarHBondContact O-CG1 3.45Å; L346-I350 PolarHBondContact O-N 2.83Å; L346-T385 HydrophobicContact CB-CG2 3.98Å; L346-T385 HydrophobicContact CD1-CG2 4.47Å; L346-F392 HydrophobicContact CD1-CE1 4.3Å; L346-F392 HydrophobicContact CD1-CE2 3.88Å; L346-F392 HydrophobicContact CD1-CZ 3.46Å; L346-F392 VanDerWaalsContact CD1-CZ 3.46Å; L346-F420 HydrophobicContact CG-CZ 4.37Å
347	R	86.5	Confident	81.8	Confident	74 Å²	74	37.9 Å²	37.9	28%	0.279	19%	0.188	S	C	.	.	H	α-helix	trans	-56.2	-41.9	172.7	-57.5	-169.1	-102.3	-89.1	3.6	112.6	Y96 L343 M344 K351 F420	Y96-R347 PolarHBondContact OH-NH1 2.95Å; L343-R347 WeakPolarHBondContact O-CG 3.39Å; L343-R347 PolarHBondContact O-N 2.84Å; M344-R347 WeakPolarHBondContact O-CB 3.3Å; M344-R347 PolarHBondContact O-N 2.92Å; R347-K351 WeakPolarHBondContact O-CB 3.34Å; R347-K351 PolarHBondContact O-N 3.41Å; R347-F420 HydrophobicContact CB-CD2 4.15Å; R347-F420 HydrophobicContact CB-CE2 4.02Å; R347-F420 HydrophobicContact CG-CD1 4.15Å; R347-F420 HydrophobicContact CG-CD2 3.57Å; R347-F420 HydrophobicContact CG-CE1 4.12Å; R347-F420 HydrophobicContact CG-CE2 3.56Å; R347-F420 HydrophobicContact CG-CG 3.89Å; R347-F420 HydrophobicContact CG-CZ 3.85Å
348	K	87.2	Confident	81.5	Confident	85 Å²	85	38.6 Å²	38.6	37%	0.37	19%	0.19	S	C	.	.	H	α-helix	trans	-65.2	-42.7	176.3	-68.3	176	-170.2	163.8	0	112.7	M344 N345 L346 K351 A352 P378	M344-K348 WeakPolarHBondContact O-CG 3.42Å; M344-K348 PolarHBondContact O-N 2.9Å; N345-K348 PolarHBondContact O-N 2.82Å; N345-K348 WeakPolarHBondContact OD1-CD 3.35Å; N345-K348 WeakPolarHBondContact OD1-CE 3.26Å; N345-K348 PolarHBondContact OD1-NZ 2.9Å; L346-K348 VanDerWaalsContact C-N 3.31Å; L346-K348 PolarHBondContact O-N 2.96Å; K348-K351 PolarHBondContact O-N 2.96Å; K348-A352 VanDerWaalsContact O-CB 3.25Å; K348-A352 WeakPolarHBondContact O-CB 3.08Å; K348-A352 PolarHBondContact O-N 2.82Å; K348-P378 HydrophobicContact CB-CG 4.01Å
349	C	86.9	Confident	80.7	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.3	-46.9	179.3	-65.7	0	0	0	0	110.7	N345 L346 A352 L353 V377 Y379	N345-C349 PolarHBondContact O-N 2.91Å; N345-C349 PolarHBondContact O-SG 3.22Å; L346-C349 PolarHBondContact O-N 2.83Å; C349-A352 PolarHBondContact O-N 2.87Å; C349-L353 WeakPolarHBondContact O-CD1 3.36Å; C349-L353 WeakPolarHBondContact O-CG 3.42Å; C349-L353 PolarHBondContact O-N 2.73Å; C349-V377 HydrophobicContact CB-CG1 3.8Å; C349-Y379 HydrophobicContact CB-CD1 4.19Å; C349-Y379 HydrophobicContact CB-CE1 4.21Å
350	I	82.7	Confident	79.5	Confident	10 Å²	10	41.9 Å²	41.9	5%	0.051	22%	0.215	C	C	.	.	H	α-helix	trans	-54.8	-55.2	174	-78.7	169.2	0	0	0	110.5	L346 A352 L353 R354 F420 I427	L346-I350 HydrophobicContact CD1-CD1 3.84Å; L346-I350 HydrophobicContact CD1-CG1 4.36Å; L346-I350 HydrophobicContact CG-CD1 3.96Å; L346-I350 WeakPolarHBondContact O-CB 3.3Å; L346-I350 WeakPolarHBondContact O-CG1 3.45Å; L346-I350 PolarHBondContact O-N 2.83Å; I350-A352 VanDerWaalsContact C-N 3.34Å; I350-A352 PolarHBondContact O-N 2.78Å; I350-L353 PolarHBondContact O-N 3.38Å; I350-R354 PolarHBondContact O-N 3.18Å; I350-R354 VanDerWaalsContact O-N 3.15Å; I350-F420 HydrophobicContact CB-CE2 4.4Å; I350-F420 HydrophobicContact CD1-CE2 3.64Å; I350-F420 HydrophobicContact CD1-CZ 3.63Å; I350-F420 HydrophobicContact CG2-CE2 4.06Å; I350-I427 VanDerWaalsContact CA-CD1 3.44Å; I350-I427 HydrophobicContact CB-CD1 3.68Å; I350-I427 HydrophobicContact CG1-CD1 3.82Å; I350-I427 HydrophobicContact CG2-CD1 3.43Å; I350-I427 VanDerWaalsContact CG2-CD1 3.43Å; I350-I427 HydrophobicContact CG2-CG1 4.5Å; I350-I427 WeakPolarHBondContact O-CD1 3.32Å
351	K	81	Confident	77.7	Confident	117 Å²	117	48.4 Å²	48.4	51%	0.509	25%	0.25	S	S	.	.	H	α-helix	trans	-59.4	-43.1	177.7	180	169.4	178.1	174.3	0	112.5	R347 K348 L353 R354 D355	R347-K351 WeakPolarHBondContact O-CB 3.34Å; R347-K351 PolarHBondContact O-N 3.41Å; K348-K351 PolarHBondContact O-N 2.96Å; K351-L353 VanDerWaalsContact C-N 3.3Å; K351-L353 PolarHBondContact O-N 3.26Å; K351-R354 PolarHBondContact O-N 2.88Å; K351-D355 WeakPolarHBondContact CE-OD2 3.46Å; K351-D355 WeakPolarHBondContact CG-OD2 3.31Å; K351-D355 WeakPolarHBondContact O-CB 3.41Å; K351-D355 VanDerWaalsContact O-CG 3.23Å; K351-D355 PolarHBondContact O-N 2.7Å
352	A	81.4	Confident	75.6	Confident	21 Å²	21	55.3 Å²	55.3	17%	0.174	28%	0.278	C	S	.	.	H	α-helix	trans	-62.8	-35.5	179.9	0	0	0	0	0	112.7	K348 C349 I350 D355 I356 V377	K348-A352 VanDerWaalsContact O-CB 3.25Å; K348-A352 WeakPolarHBondContact O-CB 3.08Å; K348-A352 PolarHBondContact O-N 2.82Å; C349-A352 PolarHBondContact O-N 2.87Å; I350-A352 VanDerWaalsContact C-N 3.34Å; I350-A352 PolarHBondContact O-N 2.78Å; A352-D355 PolarHBondContact O-N 3.27Å; A352-I356 WeakPolarHBondContact O-CB 3Å; A352-I356 VanDerWaalsContact O-CD1 3.31Å; A352-I356 WeakPolarHBondContact O-CD1 3.46Å; A352-I356 WeakPolarHBondContact O-CG1 3.43Å; A352-I356 PolarHBondContact O-N 3.15Å; A352-V377 HydrophobicContact CB-CG1 4.3Å; A352-V377 HydrophobicContact CB-CG2 4.33Å
353	L	77.1	Confident	73.3	Confident	15 Å²	15	58 Å²	58	8%	0.079	30%	0.297	C	S	.	.	H	α-helix	trans	-65.1	-50.1	174.5	-74.8	157	0	0	0	111.5	C349 I350 K351 D355 I356 Q357 V377 Y379 F392 I427	C349-L353 WeakPolarHBondContact O-CD1 3.36Å; C349-L353 WeakPolarHBondContact O-CG 3.42Å; C349-L353 PolarHBondContact O-N 2.73Å; I350-L353 PolarHBondContact O-N 3.38Å; K351-L353 VanDerWaalsContact C-N 3.3Å; K351-L353 PolarHBondContact O-N 3.26Å; L353-D355 VanDerWaalsContact C-N 3.32Å; L353-D355 PolarHBondContact O-N 3.32Å; L353-I356 PolarHBondContact O-N 3.16Å; L353-I356 VanDerWaalsContact O-N 3.08Å; L353-Q357 VanDerWaalsContact O-CG 3.26Å; L353-Q357 WeakPolarHBondContact O-CG 3.31Å; L353-Q357 PolarHBondContact O-N 3.08Å; L353-V377 HydrophobicContact CD1-CG1 4.43Å; L353-V377 HydrophobicContact CD2-CG2 3.91Å; L353-V377 HydrophobicContact CG-CG1 4.17Å; L353-V377 HydrophobicContact CG-CG2 4Å; L353-Y379 HydrophobicContact CD1-CE1 4.49Å; L353-F392 HydrophobicContact CD1-CB 3.84Å; L353-F392 HydrophobicContact CD1-CG 4.46Å; L353-I427 HydrophobicContact CB-CD1 4.23Å; L353-I427 HydrophobicContact CB-CG2 4.34Å
354	R	74.5	Confident	70.8	Confident	65 Å²	65	69.8 Å²	69.8	25%	0.245	34%	0.341	C	S	.	.	H	α-helix	trans	-56.9	-44.5	173.2	179.4	-175	168.2	174.3	-0	111.8	I350 K351 I356 Q357 T358 E426 I427	I350-R354 PolarHBondContact O-N 3.18Å; I350-R354 VanDerWaalsContact O-N 3.15Å; K351-R354 PolarHBondContact O-N 2.88Å; R354-I356 VanDerWaalsContact C-N 3.25Å; R354-I356 PolarHBondContact O-N 3.48Å; R354-Q357 PolarHBondContact O-N 3.44Å; R354-T358 HydrophobicContact CG-CG2 4.1Å; R354-T358 WeakPolarHBondContact O-CB 3.23Å; R354-T358 WeakPolarHBondContact O-CG2 3.3Å; R354-T358 PolarHBondContact O-N 2.87Å; R354-T358 PolarHBondContact O-OG1 3.48Å; R354-E426 HydrophobicContact CG-CB 4.41Å; R354-E426 IonicContact CZ-OE1 2.72Å; R354-E426 IonicContact CZ-OE2 2.67Å; R354-E426 IonicContact NE-OE1 3.67Å; R354-E426 IonicContact NE-OE2 3.28Å; R354-E426 PolarHBondContact NE-OE2 2.99Å; R354-E426 VanDerWaalsContact NH1-CD 3.31Å; R354-E426 IonicContact NH1-OE1 3.69Å; R354-E426 PolarHBondContact NH1-OE1 2.9Å; R354-E426 IonicContact NH1-OE2 3.16Å; R354-E426 IonicContact NH2-OE1 3.87Å; R354-E426 PolarHBondContact NH2-OE1 2.87Å; R354-E426 IonicContact NH2-OE2 3.78Å; R354-E426 PolarHBondContact NH2-OE2 3.14Å; R354-I427 HydrophobicContact CB-CG1 4.15Å
355	D	74.8	Confident	68.4	Low	54 Å²	54	69.8 Å²	69.8	29%	0.289	36%	0.362	S	S	.	.	H	α-helix	trans	-65.5	-25.5	178	-72.9	-15	0	0	0	112.4	K351 A352 L353 N359 R375	K351-D355 WeakPolarHBondContact CE-OD2 3.46Å; K351-D355 WeakPolarHBondContact CG-OD2 3.31Å; K351-D355 WeakPolarHBondContact O-CB 3.41Å; K351-D355 VanDerWaalsContact O-CG 3.23Å; K351-D355 PolarHBondContact O-N 2.7Å; A352-D355 PolarHBondContact O-N 3.27Å; L353-D355 VanDerWaalsContact C-N 3.32Å; L353-D355 PolarHBondContact O-N 3.32Å; D355-N359 WeakPolarHBondContact O-CB 3.35Å; D355-N359 PolarHBondContact O-ND2 2.99Å; D355-R375 PolarHBondContact O-NH1 3.43Å
356	I	72.3	Confident	65.9	Low	43 Å²	43	73.6 Å²	73.6	22%	0.221	39%	0.385	C	S	.	.	H	α-helix	trans	-80.1	-43	173.1	-72.5	161.2	0	0	0	110.6	A352 L353 R354 G360 R375 V377	A352-I356 WeakPolarHBondContact O-CB 3Å; A352-I356 VanDerWaalsContact O-CD1 3.31Å; A352-I356 WeakPolarHBondContact O-CD1 3.46Å; A352-I356 WeakPolarHBondContact O-CG1 3.43Å; A352-I356 PolarHBondContact O-N 3.15Å; L353-I356 PolarHBondContact O-N 3.16Å; L353-I356 VanDerWaalsContact O-N 3.08Å; R354-I356 VanDerWaalsContact C-N 3.25Å; R354-I356 PolarHBondContact O-N 3.48Å; I356-G360 VanDerWaalsContact O-CA 3.3Å; I356-G360 WeakPolarHBondContact O-CA 3.47Å; I356-G360 PolarHBondContact O-N 3.29Å; I356-R375 HydrophobicContact CD1-CB 4.33Å; I356-R375 WeakPolarHBondContact CD1-O 3.35Å; I356-R375 HydrophobicContact CG1-CB 4.1Å; I356-V377 HydrophobicContact CD1-CG2 3.58Å
357	Q	68.8	Low	63.6	Low	31 Å²	31	76.8 Å²	76.8	15%	0.145	41%	0.405	C	S	.	.	H	α-helix	trans	-68.9	-50.3	-176.8	-69.5	161.3	8.3	0	0	111.8	L353 R354 N359 G360 T428	L353-Q357 VanDerWaalsContact O-CG 3.26Å; L353-Q357 WeakPolarHBondContact O-CG 3.31Å; L353-Q357 PolarHBondContact O-N 3.08Å; R354-Q357 PolarHBondContact O-N 3.44Å; Q357-N359 VanDerWaalsContact C-N 3.35Å; Q357-N359 PolarHBondContact O-N 3.04Å; Q357-G360 PolarHBondContact O-N 2.91Å; Q357-T428 PolarHBondContact NE2-O 2.87Å
358	T	71.1	Confident	61.4	Low	83 Å²	83	76 Å²	76	51%	0.509	41%	0.409	S	S	.	.	H	α-helix	trans	-63	-36	-179.7	51.9	0	0	0	0	113.5	R354	R354-T358 HydrophobicContact CG-CG2 4.1Å; R354-T358 WeakPolarHBondContact O-CB 3.23Å; R354-T358 WeakPolarHBondContact O-CG2 3.3Å; R354-T358 PolarHBondContact O-N 2.87Å; R354-T358 PolarHBondContact O-OG1 3.48Å
359	N	64.9	Low	59.5	Low	75 Å²	75	74.2 Å²	74.2	40%	0.401	41%	0.405	S	S	.	.	H	α-helix	trans	-91.3	-22.4	179.9	-65.9	-76.8	0	0	0	113.2	D355 Q357 N361 K362	D355-N359 WeakPolarHBondContact O-CB 3.35Å; D355-N359 PolarHBondContact O-ND2 2.99Å; Q357-N359 VanDerWaalsContact C-N 3.35Å; Q357-N359 PolarHBondContact O-N 3.04Å; N359-N361 VanDerWaalsContact C-N 3.32Å; N359-N361 PolarHBondContact O-N 2.78Å; N359-K362 PolarHBondContact O-N 2.71Å
360	G	54.1	Low	57.4	Low	34 Å²	34	81 Å²	81	35%	0.351	45%	0.449	S	S	.	.	H	α-helix	trans	-58	-38.3	-171.1	0	0	0	0	0	114.3	I356 Q357 K362 S363	I356-G360 VanDerWaalsContact O-CA 3.3Å; I356-G360 WeakPolarHBondContact O-CA 3.47Å; I356-G360 PolarHBondContact O-N 3.29Å; Q357-G360 PolarHBondContact O-N 2.91Å; G360-K362 PolarHBondContact O-N 3.45Å; G360-K362 VanDerWaalsContact O-N 3.12Å; G360-S363 CarbonylContact O-C 3.59Å; G360-S363 PolarHBondContact O-N 3.3Å
361	N	45.2	Very low	55.6	Low	163 Å²	163	87 Å²	87	87%	0.872	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-13	178.4	-76.2	-7.4	0	0	0	114.1	N359	N359-N361 VanDerWaalsContact C-N 3.32Å; N359-N361 PolarHBondContact O-N 2.78Å
362	K	43	Very low	53.6	Low	191 Å²	191	83.9 Å²	83.9	83%	0.83	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	5.4	172.7	-67.5	-174.4	177.6	-179.8	0	113.5	N359 G360	N359-K362 PolarHBondContact O-N 2.71Å; G360-K362 PolarHBondContact O-N 3.45Å; G360-K362 VanDerWaalsContact O-N 3.12Å
363	S	39.6	Very low	52	Low	65 Å²	65	88.9 Å²	88.9	46%	0.455	50%	0.5	S	S	.	.			trans	-146.5	73.2	-177.8	-60.1	0	0	0	0	112.1	G360 G365	G360-S363 CarbonylContact O-C 3.59Å; G360-S363 PolarHBondContact O-N 3.3Å; S363-G365 PolarHBondContact O-N 3.33Å
364	R	33.1	Very low	50.7	Low	248 Å²	248	91.9 Å²	91.9	94%	0.936	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	105.6	170.3	-82.9	-178.7	167	171.6	-4.2	110.7
365	G	35.9	Very low	50.1	Low	81 Å²	81	93.9 Å²	93.9	84%	0.835	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.6	-16.2	164.2	0	0	0	0	0	117.3	S363	S363-G365 PolarHBondContact O-N 3.33Å
366	T	35	Very low	50.1	Low	84 Å²	84	96.7 Å²	96.7	52%	0.515	55%	0.547	S	S	.	.			trans	-133.5	103.6	-178.2	46.2	0	0	0	0	112.2	T368	T366-T368 PolarHBondContact O-N 2.96Å
367	T	41.2	Very low	50.6	Low	73 Å²	73	95.5 Å²	95.5	45%	0.448	54%	0.542	S	S	.	.			trans	-76.1	30.3	173.6	51.5	0	0	0	0	112.7	P374 R375	T367-P374 CarbonylContact O-C 3.6Å; T367-P374 WeakPolarHBondContact O-CA 3.48Å; T367-P374 WeakPolarHBondContact OG1-CB 3.25Å; T367-R375 WeakPolarHBondContact O-CB 3.45Å; T367-R375 VanDerWaalsContact O-CG 3.32Å; T367-R375 WeakPolarHBondContact O-CG 3.28Å; T367-R375 PolarHBondContact O-N 2.76Å
368	T	40.1	Very low	51.6	Low	57 Å²	57	95.5 Å²	95.5	35%	0.35	55%	0.545	S	S	.	.	B	Isolated β-bridge	trans	-78	142.7	-162.8	46.9	0	0	0	0	114.2	T366 G372 H373	T366-T368 PolarHBondContact O-N 2.96Å; T368-G372 VanDerWaalsContact CG2-C 3.48Å; T368-G372 WeakPolarHBondContact CG2-O 3.36Å; T368-H373 CarbonylContact C-O 3.58Å; T368-H373 VanDerWaalsContact CA-O 3.28Å; T368-H373 WeakPolarHBondContact CA-O 3.45Å
369	T	47.1	Very low	52.5	Low	49 Å²	49	92.2 Å²	92.2	30%	0.301	52%	0.523	S	S	.	.			trans	-62.2	169.6	156.4	61.6	0	0	0	0	110.2	I371 G372 H373	T369-I371 PolarHBondContact O-N 2.82Å; T369-I371 PolarHBondContact OG1-N 3.38Å; T369-G372 PolarHBondContact O-N 2.89Å; T369-H373 PolarHBondContact N-O 2.88Å; T369-H373 PolarHBondContact OG1-N 2.92Å; T369-H373 PolarHBondContact OG1-O 2.83Å
370	P	42.3	Very low	53.8	Low	142 Å²	142	94 Å²	94	92%	0.922	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-5.7	171.4	-25.9	36.2	0	0	0	115.3
371	I	45.7	Very low	55.5	Low	137 Å²	137	96.2 Å²	96.2	70%	0.703	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	21.2	-179.1	-36.8	173.7	0	0	0	110.3	T369 H373	T369-I371 PolarHBondContact O-N 2.82Å; T369-I371 PolarHBondContact OG1-N 3.38Å; I371-H373 VanDerWaalsContact C-N 3.32Å; I371-H373 PolarHBondContact O-N 3.45Å; I371-H373 PolarHBondContact O-ND1 3.48Å
372	G	38.8	Very low	57.7	Low	51 Å²	51	88.5 Å²	88.5	53%	0.526	49%	0.487	S	S	.	.	S	Bend	trans	72.3	13.7	172.1	0	0	0	0	0	116	T368 T369	T368-G372 VanDerWaalsContact CG2-C 3.48Å; T368-G372 WeakPolarHBondContact CG2-O 3.36Å; T369-G372 PolarHBondContact O-N 2.89Å
373	H	46.4	Very low	60.1	Low	125 Å²	125	81.2 Å²	81.2	58%	0.579	45%	0.454	S	S	*	.			trans	-99.5	131	179.8	-66.7	-5.7	0	0	0	111.6	T368 T369 I371 R375	T368-H373 CarbonylContact C-O 3.58Å; T368-H373 VanDerWaalsContact CA-O 3.28Å; T368-H373 WeakPolarHBondContact CA-O 3.45Å; T369-H373 PolarHBondContact N-O 2.88Å; T369-H373 PolarHBondContact OG1-N 2.92Å; T369-H373 PolarHBondContact OG1-O 2.83Å; I371-H373 VanDerWaalsContact C-N 3.32Å; I371-H373 PolarHBondContact O-N 3.45Å; I371-H373 PolarHBondContact O-ND1 3.48Å; H373-R375 PolarHBondContact O-N 3.33Å
374	P	51.5	Low	62.6	Low	78 Å²	78	78.2 Å²	78.2	51%	0.506	43%	0.433	S	S	.	.	B	Isolated β-bridge	trans	-59.5	137.4	178.2	25.1	-34	0	0	0	111.5	T367 V376	T367-P374 CarbonylContact O-C 3.6Å; T367-P374 WeakPolarHBondContact O-CA 3.48Å; T367-P374 WeakPolarHBondContact OG1-CB 3.25Å; P374-V376 VanDerWaalsContact C-N 3.32Å; P374-V376 HydrophobicContact CG-CG2 4.5Å; P374-V376 PolarHBondContact O-N 2.67Å
375	R	60.5	Low	65.5	Low	108 Å²	108	66.4 Å²	66.4	41%	0.408	39%	0.388	S	S	.	.			trans	-66.6	88	173.4	-73.8	178.8	-170.7	-160.5	3.2	109.3	D355 I356 T367 H373	D355-R375 PolarHBondContact O-NH1 3.43Å; I356-R375 HydrophobicContact CD1-CB 4.33Å; I356-R375 WeakPolarHBondContact CD1-O 3.35Å; I356-R375 HydrophobicContact CG1-CB 4.1Å; T367-R375 WeakPolarHBondContact O-CB 3.45Å; T367-R375 VanDerWaalsContact O-CG 3.32Å; T367-R375 WeakPolarHBondContact O-CG 3.28Å; T367-R375 PolarHBondContact O-N 2.76Å; H373-R375 PolarHBondContact O-N 3.33Å
376	V	75.7	Confident	68.3	Low	113 Å²	113	63.4 Å²	63.4	69%	0.685	35%	0.352	S	S	*	.			trans	-80	127.5	175.2	177.9	0	0	0	0	109.6	P374	P374-V376 VanDerWaalsContact C-N 3.32Å; P374-V376 HydrophobicContact CG-CG2 4.5Å; P374-V376 PolarHBondContact O-N 2.67Å
377	V	83.3	Confident	71.1	Confident	17 Å²	17	60.4 Å²	60.4	10%	0.103	33%	0.333	C	S	.	.			trans	-66.7	128.6	172.5	-175.8	0	0	0	0	109.2	C349 A352 L353 I356 Y379	C349-V377 HydrophobicContact CB-CG1 3.8Å; A352-V377 HydrophobicContact CB-CG1 4.3Å; A352-V377 HydrophobicContact CB-CG2 4.33Å; L353-V377 HydrophobicContact CD1-CG1 4.43Å; L353-V377 HydrophobicContact CD2-CG2 3.91Å; L353-V377 HydrophobicContact CG-CG1 4.17Å; L353-V377 HydrophobicContact CG-CG2 4Å; I356-V377 HydrophobicContact CD1-CG2 3.58Å; V377-Y379 HydrophobicContact CB-CD2 4.01Å; V377-Y379 HydrophobicContact CB-CE1 4.34Å; V377-Y379 HydrophobicContact CB-CE2 3.67Å; V377-Y379 HydrophobicContact CG1-CD1 3.88Å; V377-Y379 HydrophobicContact CG1-CD2 4.09Å; V377-Y379 HydrophobicContact CG1-CE1 3.51Å; V377-Y379 HydrophobicContact CG1-CE2 3.78Å; V377-Y379 HydrophobicContact CG1-CG 4.16Å; V377-Y379 VanDerWaalsContact CG1-CZ 3.48Å; V377-Y379 HydrophobicContact CG2-CE2 4.43Å; V377-Y379 PolarHBondContact O-N 2.84Å
378	P	89.2	Confident	73.5	Confident	32 Å²	32	57.1 Å²	57.1	21%	0.208	31%	0.312	C	S	.	.			trans	-77.9	40.5	-167.9	31.4	-37	0	0	0	114.8	K348 R380 D381	K348-P378 HydrophobicContact CB-CG 4.01Å; P378-R380 PolarHBondContact O-N 2.98Å; P378-D381 WeakPolarHBondContact O-CB 3.22Å; P378-D381 PolarHBondContact O-N 2.9Å
379	Y	90.3	Very high	75.9	Confident	14 Å²	14	55.3 Å²	55.3	6%	0.055	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-34.6	-176	-63.8	-57.1	0	0	0	113.9	C349 L353 V377 D381 T385 Y386 K389 F392 E393	C349-Y379 HydrophobicContact CB-CD1 4.19Å; C349-Y379 HydrophobicContact CB-CE1 4.21Å; L353-Y379 HydrophobicContact CD1-CE1 4.49Å; V377-Y379 HydrophobicContact CB-CD2 4.01Å; V377-Y379 HydrophobicContact CB-CE1 4.34Å; V377-Y379 HydrophobicContact CB-CE2 3.67Å; V377-Y379 HydrophobicContact CG1-CD1 3.88Å; V377-Y379 HydrophobicContact CG1-CD2 4.09Å; V377-Y379 HydrophobicContact CG1-CE1 3.51Å; V377-Y379 HydrophobicContact CG1-CE2 3.78Å; V377-Y379 HydrophobicContact CG1-CG 4.16Å; V377-Y379 VanDerWaalsContact CG1-CZ 3.48Å; V377-Y379 HydrophobicContact CG2-CE2 4.43Å; V377-Y379 PolarHBondContact O-N 2.84Å; Y379-D381 VanDerWaalsContact C-N 3.31Å; Y379-D381 PolarHBondContact O-N 2.79Å; Y379-T385 CarbonylContact O-C 3.52Å; Y379-T385 VanDerWaalsContact O-C 3.31Å; Y379-T385 WeakPolarHBondContact O-CB 3.45Å; Y379-T385 PolarHBondContact O-OG1 3.34Å; Y379-Y386 WeakPolarHBondContact O-CA 3.35Å; Y379-Y386 WeakPolarHBondContact O-CB 3.45Å; Y379-Y386 PolarHBondContact O-N 3.49Å; Y379-K389 HydrophobicContact CD2-CB 4.42Å; Y379-K389 HydrophobicContact CD2-CG 3.81Å; Y379-K389 HydrophobicContact CE2-CG 4.06Å; Y379-K389 HydrophobicContact CG-CB 4.27Å; Y379-K389 HydrophobicContact CG-CG 4.16Å; Y379-F392 HydrophobicContact CD1-CD2 4.4Å; Y379-F392 HydrophobicContact CE1-CB 3.61Å; Y379-F392 AromaticContact CE1-CD2 3.89Å; Y379-F392 HydrophobicContact CE1-CD2 3.89Å; Y379-F392 HydrophobicContact CE1-CG 4.15Å; Y379-F392 VanDerWaalsContact OH-CB 3.3Å; Y379-F392 WeakPolarHBondContact OH-CB 3.18Å; Y379-F392 PolarHBondContact OH-O 2.99Å; Y379-E393 HydrophobicContact CE2-CG 3.72Å; Y379-E393 WeakPolarHBondContact CE2-OE1 3.33Å
380	R	90.8	Very high	77.8	Confident	113 Å²	113	53.6 Å²	53.6	43%	0.426	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-12.7	-171.9	-69.1	-176	174.5	125	-3.1	114.2	E233 P378 Y386 R864	E233-R380 IonicContact OE1-CZ 3.75Å; E233-R380 IonicContact OE1-NE 3.01Å; E233-R380 IonicContact OE1-NH2 2.68Å; E233-R380 PolarHBondContact OE1-NH2 3.25Å; E233-R380 IonicContact OE2-NH2 2.75Å; P378-R380 PolarHBondContact O-N 2.98Å; R380-Y386 HydrophobicContact CG-CD2 3.77Å; R380-Y386 HydrophobicContact CG-CE2 3.84Å; R380-Y386 HydrophobicContact CG-CG 4.33Å; R380-R864 PolarHBondContact O-NH2 3Å
381	D	89.8	Confident	79.9	Confident	80 Å²	80	47.4 Å²	47.4	43%	0.428	25%	0.247	S	C	.	.	S	Bend	trans	-61.7	-48.8	-176.8	-71.2	14.6	0	0	0	111.9	N345 P378 Y379	N345-D381 HydrophobicContact CB-CB 4.34Å; P378-D381 WeakPolarHBondContact O-CB 3.22Å; P378-D381 PolarHBondContact O-N 2.9Å; Y379-D381 VanDerWaalsContact C-N 3.31Å; Y379-D381 PolarHBondContact O-N 2.79Å
382	A	91.7	Very high	81.7	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.008	22%	0.216	C	C	.	.	S	Bend	trans	-107.5	151.4	173.1	0	0	0	0	0	111.9	N345 L384 T385 Y386	N345-A382 HydrophobicContact CB-CB 4.07Å; A382-L384 VanDerWaalsContact C-N 3.29Å; A382-L384 PolarHBondContact O-N 2.98Å; A382-T385 WeakPolarHBondContact CB-OG1 3.36Å; A382-T385 PolarHBondContact N-OG1 2.83Å; A382-T385 PolarHBondContact O-OG1 3.13Å; A382-T385 VanDerWaalsContact O-OG1 3.07Å; A382-Y386 WeakPolarHBondContact O-CB 3.27Å; A382-Y386 PolarHBondContact O-N 2.88Å
383	R	93.4	Very high	83.6	Confident	37 Å²	37	43.4 Å²	43.4	14%	0.14	21%	0.211	C	C	.	.	H	α-helix	trans	-63	-36.7	171.4	-74.4	-63.7	-176.6	-177.1	1	112.4	V206 N209 I211 L231 Y386 L387	V206-R383 HydrophobicContact CG1-CB 4.2Å; N209-R383 WeakPolarHBondContact OD1-CG 3.34Å; N209-R383 PolarHBondContact OD1-N 2.84Å; I211-R383 HydrophobicContact CD1-CB 4.11Å; I211-R383 HydrophobicContact CD1-CG 4.38Å; I211-R383 HydrophobicContact CG1-CB 4.05Å; I211-R383 HydrophobicContact CG1-CG 4.21Å; L231-R383 WeakPolarHBondContact CD1-O 3.44Å; R383-Y386 PolarHBondContact O-N 2.85Å; R383-L387 WeakPolarHBondContact O-CB 3.32Å; R383-L387 PolarHBondContact O-N 2.9Å
384	L	93.7	Very high	84.9	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-59.7	-53.7	177.6	-170.8	75.9	0	0	0	111.9	V206 H281 L317 A382 Y386 L387 F388	V206-L384 HydrophobicContact CB-CD1 4.46Å; V206-L384 HydrophobicContact CG1-CB 4.41Å; V206-L384 HydrophobicContact CG2-CD1 4.41Å; H281-L384 HydrophobicContact CB-CD1 3.86Å; L317-L384 HydrophobicContact CD2-CD1 4.13Å; L317-L384 HydrophobicContact CD2-CD2 3.97Å; A382-L384 VanDerWaalsContact C-N 3.29Å; A382-L384 PolarHBondContact O-N 2.98Å; L384-Y386 VanDerWaalsContact C-N 3.27Å; L384-Y386 PolarHBondContact O-N 3.12Å; L384-L387 PolarHBondContact O-N 3.37Å; L384-F388 HydrophobicContact CD1-CD2 4.42Å; L384-F388 HydrophobicContact CD1-CE2 3.8Å; L384-F388 HydrophobicContact CG-CD2 4.46Å; L384-F388 HydrophobicContact CG-CE2 4.32Å; L384-F388 VanDerWaalsContact O-CD2 3.25Å; L384-F388 WeakPolarHBondContact O-CD2 3.3Å; L384-F388 PolarHBondContact O-N 3.03Å
385	T	92.6	Very high	86.2	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.4	-27	179.6	48.1	0	0	0	0	113.3	N345 L346 Y379 A382 K389	N345-T385 HydrophobicContact CB-CG2 4.37Å; L346-T385 HydrophobicContact CB-CG2 3.98Å; L346-T385 HydrophobicContact CD1-CG2 4.47Å; Y379-T385 CarbonylContact O-C 3.52Å; Y379-T385 VanDerWaalsContact O-C 3.31Å; Y379-T385 WeakPolarHBondContact O-CB 3.45Å; Y379-T385 PolarHBondContact O-OG1 3.34Å; A382-T385 WeakPolarHBondContact CB-OG1 3.36Å; A382-T385 PolarHBondContact N-OG1 2.83Å; A382-T385 PolarHBondContact O-OG1 3.13Å; A382-T385 VanDerWaalsContact O-OG1 3.07Å; T385-K389 PolarHBondContact O-N 2.89Å
386	Y	94.3	Very high	87.2	Confident	19 Å²	19	31 Å²	31	8%	0.075	16%	0.157	C	C	.	.	H	α-helix	trans	-77.3	-38	177	-172	-142.2	0	0	0	111.6	L231 E233 V239 Y379 R380 A382 R383 L384 F388 K389	L231-Y386 HydrophobicContact CB-CD1 3.81Å; L231-Y386 HydrophobicContact CB-CE1 3.72Å; L231-Y386 HydrophobicContact CD1-CD1 3.51Å; L231-Y386 HydrophobicContact CD1-CE1 4.31Å; L231-Y386 HydrophobicContact CD1-CG 4.08Å; L231-Y386 HydrophobicContact CG-CD1 4.29Å; E233-Y386 WeakPolarHBondContact OE1-CE2 3.3Å; E233-Y386 PolarHBondContact OE1-OH 2.89Å; V239-Y386 WeakPolarHBondContact CB-O 3.31Å; V239-Y386 HydrophobicContact CG1-CD1 4.4Å; V239-Y386 HydrophobicContact CG1-CE1 4.38Å; V239-Y386 HydrophobicContact CG1-CG 4.44Å; V239-Y386 WeakPolarHBondContact CG1-O 3.19Å; V239-Y386 HydrophobicContact CG2-CD2 4.11Å; V239-Y386 HydrophobicContact CG2-CE2 3.85Å; V239-Y386 WeakPolarHBondContact CG2-O 3.36Å; Y379-Y386 WeakPolarHBondContact O-CA 3.35Å; Y379-Y386 WeakPolarHBondContact O-CB 3.45Å; Y379-Y386 PolarHBondContact O-N 3.49Å; R380-Y386 HydrophobicContact CG-CD2 3.77Å; R380-Y386 HydrophobicContact CG-CE2 3.84Å; R380-Y386 HydrophobicContact CG-CG 4.33Å; A382-Y386 WeakPolarHBondContact O-CB 3.27Å; A382-Y386 PolarHBondContact O-N 2.88Å; R383-Y386 PolarHBondContact O-N 2.85Å; L384-Y386 VanDerWaalsContact C-N 3.27Å; L384-Y386 PolarHBondContact O-N 3.12Å; Y386-F388 PolarHBondContact O-N 3.28Å; Y386-K389 VanDerWaalsContact O-CB 3.27Å; Y386-K389 WeakPolarHBondContact O-CB 3.41Å; Y386-K389 PolarHBondContact O-N 2.88Å
387	L	93.9	Very high	87.8	Confident	21 Å²	21	27.6 Å²	27.6	11%	0.11	13%	0.132	C	C	.	.	H	α-helix	trans	-58.8	-46	175.5	177.9	59.6	0	0	0	111.5	L231 V241 V283 R383 L384 K389	L231-L387 HydrophobicContact CD1-CB 4.09Å; L231-L387 HydrophobicContact CD2-CB 4.49Å; L231-L387 HydrophobicContact CD2-CD1 3.89Å; V241-L387 HydrophobicContact CG2-CD1 4.24Å; V283-L387 HydrophobicContact CG1-CD2 4.27Å; V283-L387 HydrophobicContact CG2-CD2 4.27Å; R383-L387 WeakPolarHBondContact O-CB 3.32Å; R383-L387 PolarHBondContact O-N 2.9Å; L384-L387 PolarHBondContact O-N 3.37Å; L387-K389 VanDerWaalsContact C-N 3.35Å; L387-K389 PolarHBondContact O-N 2.95Å
388	F	92.3	Very high	88.2	Confident	3 Å²	3	27 Å²	27	1%	0.013	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	12.6	-178.3	-55.4	-59.3	0	0	0	114.7	L92 F94 V283 C313 V315 L384 Y386 N390 F391 F392	L92-F388 HydrophobicContact CD1-CD1 3.71Å; L92-F388 HydrophobicContact CD1-CE1 3.76Å; L92-F388 HydrophobicContact CD1-CG 4.34Å; L92-F388 HydrophobicContact CD1-CZ 4.39Å; L92-F388 HydrophobicContact CD2-CB 4.03Å; L92-F388 HydrophobicContact CD2-CD1 4.02Å; L92-F388 HydrophobicContact CD2-CG 4.13Å; F94-F388 AromaticContact CE1-CD2 3.77Å; F94-F388 HydrophobicContact CE1-CD2 3.77Å; F94-F388 AromaticContact CE1-CE2 3.71Å; F94-F388 HydrophobicContact CE1-CE2 3.71Å; F94-F388 HydrophobicContact CE1-CG 4.4Å; F94-F388 HydrophobicContact CE1-CZ 4.31Å; F94-F388 HydrophobicContact CZ-CB 4.42Å; F94-F388 AromaticContact CZ-CD2 3.75Å; F94-F388 HydrophobicContact CZ-CD2 3.75Å; F94-F388 HydrophobicContact CZ-CE2 4.16Å; F94-F388 HydrophobicContact CZ-CG 4.01Å; V283-F388 HydrophobicContact CB-CZ 4.44Å; V283-F388 HydrophobicContact CG1-CE1 4.12Å; V283-F388 HydrophobicContact CG1-CZ 3.79Å; V283-F388 HydrophobicContact CG2-CE2 4.34Å; V283-F388 HydrophobicContact CG2-CZ 3.75Å; C313-F388 HydrophobicContact CB-CE1 4.21Å; V315-F388 HydrophobicContact CG1-CE2 4.39Å; V315-F388 HydrophobicContact CG1-CZ 4.31Å; V315-F388 HydrophobicContact CG2-CE1 4Å; V315-F388 HydrophobicContact CG2-CE2 4.26Å; V315-F388 HydrophobicContact CG2-CZ 3.52Å; L384-F388 HydrophobicContact CD1-CD2 4.42Å; L384-F388 HydrophobicContact CD1-CE2 3.8Å; L384-F388 HydrophobicContact CG-CD2 4.46Å; L384-F388 HydrophobicContact CG-CE2 4.32Å; L384-F388 VanDerWaalsContact O-CD2 3.25Å; L384-F388 WeakPolarHBondContact O-CD2 3.3Å; L384-F388 PolarHBondContact O-N 3.03Å; Y386-F388 PolarHBondContact O-N 3.28Å; F388-N390 PolarHBondContact O-N 3.24Å; F388-N390 VanDerWaalsContact O-N 3.14Å; F388-F391 HydrophobicContact CB-CD2 4.42Å; F388-F391 HydrophobicContact CD1-CD2 4.22Å; F388-F391 HydrophobicContact CD1-CE2 4.27Å; F388-F391 PolarHBondContact O-N 2.99Å; F388-F392 HydrophobicContact CB-CD2 4.13Å; F388-F392 HydrophobicContact CB-CE2 3.64Å; F388-F392 HydrophobicContact CB-CZ 4.29Å; F388-F392 WeakPolarHBondContact O-CD2 3.3Å; F388-F392 PolarHBondContact O-N 2.89Å
389	K	90.1	Very high	88.5	Confident	19 Å²	19	25.5 Å²	25.5	8%	0.083	12%	0.118	C	C	.	.	H	α-helix	trans	-42.7	-51.2	179.7	169.6	-167.6	144.9	-64.1	0	112.2	R237 V239 Y379 T385 Y386 L387 F392 E393	R237-K389 PolarHBondContact O-NZ 3.27Å; R237-K389 VanDerWaalsContact O-NZ 3.09Å; V239-K389 HydrophobicContact CG2-CB 4.14Å; V239-K389 HydrophobicContact CG2-CD 3.84Å; Y379-K389 HydrophobicContact CD2-CB 4.42Å; Y379-K389 HydrophobicContact CD2-CG 3.81Å; Y379-K389 HydrophobicContact CE2-CG 4.06Å; Y379-K389 HydrophobicContact CG-CB 4.27Å; Y379-K389 HydrophobicContact CG-CG 4.16Å; T385-K389 PolarHBondContact O-N 2.89Å; Y386-K389 VanDerWaalsContact O-CB 3.27Å; Y386-K389 WeakPolarHBondContact O-CB 3.41Å; Y386-K389 PolarHBondContact O-N 2.88Å; L387-K389 VanDerWaalsContact C-N 3.35Å; L387-K389 PolarHBondContact O-N 2.95Å; K389-F392 PolarHBondContact O-N 2.96Å; K389-E393 WeakPolarHBondContact CE-OE1 3.05Å; K389-E393 WeakPolarHBondContact CE-OE2 3.32Å; K389-E393 HydrophobicContact CG-CG 4.37Å; K389-E393 WeakPolarHBondContact CG-OE1 3.14Å; K389-E393 IonicContact NZ-OE1 2.84Å; K389-E393 IonicContact NZ-OE2 2.88Å; K389-E393 PolarHBondContact NZ-OE2 3.23Å; K389-E393 WeakPolarHBondContact O-CG 3.24Å; K389-E393 PolarHBondContact O-N 2.84Å
390	N	87.1	Confident	88.7	Confident	13 Å²	13	25.2 Å²	25.2	7%	0.07	12%	0.118	C	C	.	.	H	α-helix	trans	-58.8	-51.1	-173.8	-77.2	25.7	0	0	0	113.2	N238 F388 F392 E393 G394 D395	N238-N390 VanDerWaalsContact CA-ND2 3.32Å; N238-N390 WeakPolarHBondContact CA-ND2 3.3Å; N238-N390 VanDerWaalsContact CB-ND2 3.27Å; N238-N390 WeakPolarHBondContact CB-ND2 3.46Å; N238-N390 VanDerWaalsContact CG-ND2 3.35Å; N238-N390 PolarHBondContact OD1-ND2 2.73Å; F388-N390 PolarHBondContact O-N 3.24Å; F388-N390 VanDerWaalsContact O-N 3.14Å; N390-F392 PolarHBondContact O-N 3.07Å; N390-E393 CarbonylContact O-C 3.56Å; N390-E393 WeakPolarHBondContact O-CA 3.47Å; N390-E393 WeakPolarHBondContact O-CB 3.41Å; N390-E393 PolarHBondContact O-N 2.85Å; N390-G394 PolarHBondContact O-N 2.87Å; N390-D395 VanDerWaalsContact C-CB 3.42Å; N390-D395 HydrophobicContact CB-CB 3.63Å; N390-D395 WeakPolarHBondContact CB-OD2 3.22Å; N390-D395 PolarHBondContact ND2-OD2 3.23Å; N390-D395 VanDerWaalsContact O-CB 3.24Å; N390-D395 WeakPolarHBondContact O-CB 3.22Å; N390-D395 PolarHBondContact O-N 2.85Å
391	F	87.2	Confident	89	Confident	12 Å²	12	19.9 Å²	19.9	5%	0.053	10%	0.097	C	C	.	.	H	α-helix	trans	-58.7	-39.2	-177.7	-62.6	-90.4	0	0	0	110.8	N90 G91 L92 C313 F388 E393 G394 D395 V398	N90-F391 HydrophobicContact CB-CE1 3.95Å; G91-F391 WeakPolarHBondContact O-CE1 3.22Å; L92-F391 HydrophobicContact CB-CB 4.34Å; L92-F391 HydrophobicContact CB-CD1 3.52Å; L92-F391 HydrophobicContact CB-CD2 4.5Å; L92-F391 HydrophobicContact CB-CE1 3.81Å; L92-F391 HydrophobicContact CB-CG 3.9Å; L92-F391 HydrophobicContact CB-CZ 4.43Å; L92-F391 HydrophobicContact CD2-CB 3.44Å; L92-F391 VanDerWaalsContact CD2-CB 3.44Å; L92-F391 HydrophobicContact CD2-CD1 4.08Å; L92-F391 HydrophobicContact CD2-CD2 3.83Å; L92-F391 HydrophobicContact CD2-CG 3.54Å; L92-F391 HydrophobicContact CG-CD1 4.43Å; L92-F391 HydrophobicContact CG-CG 4.34Å; C313-F391 HydrophobicContact CB-CZ 4.36Å; F388-F391 HydrophobicContact CB-CD2 4.42Å; F388-F391 HydrophobicContact CD1-CD2 4.22Å; F388-F391 HydrophobicContact CD1-CE2 4.27Å; F388-F391 PolarHBondContact O-N 2.99Å; F391-E393 VanDerWaalsContact C-N 3.34Å; F391-G394 PolarHBondContact O-N 2.84Å; F391-D395 WeakPolarHBondContact CD1-O 3.45Å; F391-V398 HydrophobicContact CB-CG2 3.99Å
392	F	82.6	Confident	89.3	Confident	12 Å²	12	16 Å²	16	5%	0.053	8%	0.077	C	C	.	.	H	α-helix	trans	-72.9	-20.8	173.6	-60.7	-49.4	0	0	0	114.4	F94 L346 L353 Y379 F388 K389 N390 V398	F94-F392 HydrophobicContact CE2-CE1 4.25Å; F94-F392 AromaticContact CE2-CZ 3.92Å; F94-F392 HydrophobicContact CE2-CZ 3.92Å; F94-F392 AromaticContact CZ-CZ 3.9Å; F94-F392 HydrophobicContact CZ-CZ 3.9Å; L346-F392 HydrophobicContact CD1-CE1 4.3Å; L346-F392 HydrophobicContact CD1-CE2 3.88Å; L346-F392 HydrophobicContact CD1-CZ 3.46Å; L346-F392 VanDerWaalsContact CD1-CZ 3.46Å; L353-F392 HydrophobicContact CD1-CB 3.84Å; L353-F392 HydrophobicContact CD1-CG 4.46Å; Y379-F392 HydrophobicContact CD1-CD2 4.4Å; Y379-F392 HydrophobicContact CE1-CB 3.61Å; Y379-F392 AromaticContact CE1-CD2 3.89Å; Y379-F392 HydrophobicContact CE1-CD2 3.89Å; Y379-F392 HydrophobicContact CE1-CG 4.15Å; Y379-F392 VanDerWaalsContact OH-CB 3.3Å; Y379-F392 WeakPolarHBondContact OH-CB 3.18Å; Y379-F392 PolarHBondContact OH-O 2.99Å; F388-F392 HydrophobicContact CB-CD2 4.13Å; F388-F392 HydrophobicContact CB-CE2 3.64Å; F388-F392 HydrophobicContact CB-CZ 4.29Å; F388-F392 WeakPolarHBondContact O-CD2 3.3Å; F388-F392 PolarHBondContact O-N 2.89Å; K389-F392 PolarHBondContact O-N 2.96Å; N390-F392 PolarHBondContact O-N 3.07Å; F392-V398 HydrophobicContact CE1-CG1 4.48Å
393	E	79.8	Confident	89.5	Confident	92 Å²	92	16 Å²	16	43%	0.43	8%	0.077	S	C	.	.	H	α-helix	trans	-87.5	-3.3	171.8	-71.9	176.9	172.5	0	0	113.3	Y379 K389 N390 F391	Y379-E393 HydrophobicContact CE2-CG 3.72Å; Y379-E393 WeakPolarHBondContact CE2-OE1 3.33Å; K389-E393 WeakPolarHBondContact CE-OE1 3.05Å; K389-E393 WeakPolarHBondContact CE-OE2 3.32Å; K389-E393 HydrophobicContact CG-CG 4.37Å; K389-E393 WeakPolarHBondContact CG-OE1 3.14Å; K389-E393 IonicContact NZ-OE1 2.84Å; K389-E393 IonicContact NZ-OE2 2.88Å; K389-E393 PolarHBondContact NZ-OE2 3.23Å; K389-E393 WeakPolarHBondContact O-CG 3.24Å; K389-E393 PolarHBondContact O-N 2.84Å; N390-E393 CarbonylContact O-C 3.56Å; N390-E393 WeakPolarHBondContact O-CA 3.47Å; N390-E393 WeakPolarHBondContact O-CB 3.41Å; N390-E393 PolarHBondContact O-N 2.85Å; F391-E393 VanDerWaalsContact C-N 3.34Å
394	G	74	Confident	89.6	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	118.5	4.3	177.5	0	0	0	0	0	116.5	N390 F391 G396 Y430 N432	N390-G394 PolarHBondContact O-N 2.87Å; F391-G394 PolarHBondContact O-N 2.84Å; G394-G396 VanDerWaalsContact C-N 3.3Å; G394-G396 PolarHBondContact O-N 2.73Å; G394-Y430 CarbonylContact C-O 3.15Å; G394-Y430 WeakPolarHBondContact CA-O 3.32Å; G394-N432 PolarHBondContact O-N 2.65Å
395	D	77.4	Confident	89.4	Confident	36 Å²	36	16.1 Å²	16.1	19%	0.193	8%	0.079	C	C	.	.	S	Bend	trans	-81.2	72.1	-178.9	-167.2	11.9	0	0	0	111.8	N90 N390 F391	N90-D395 WeakPolarHBondContact CB-O 3.47Å; N90-D395 PolarHBondContact ND2-OD1 3.11Å; N390-D395 VanDerWaalsContact C-CB 3.42Å; N390-D395 HydrophobicContact CB-CB 3.63Å; N390-D395 WeakPolarHBondContact CB-OD2 3.22Å; N390-D395 PolarHBondContact ND2-OD2 3.23Å; N390-D395 VanDerWaalsContact O-CB 3.24Å; N390-D395 WeakPolarHBondContact O-CB 3.22Å; N390-D395 PolarHBondContact O-N 2.85Å; F391-D395 WeakPolarHBondContact CD1-O 3.45Å
396	G	82.5	Confident	89.4	Confident	15 Å²	15	17 Å²	17	16%	0.155	8%	0.083	C	C	.	.	S	Bend	trans	104.5	-166.8	172.4	0	0	0	0	0	116.6	N90 G394	N90-G396 CarbonylContact O-C 3.56Å; N90-G396 WeakPolarHBondContact O-CA 3.45Å; G394-G396 VanDerWaalsContact C-N 3.3Å; G394-G396 PolarHBondContact O-N 2.73Å
397	R	89	Confident	89.2	Confident	42 Å²	42	16.4 Å²	16.4	16%	0.158	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	133.5	-178.1	-173.7	170.8	-151.9	155.9	2.4	110.7	Q16 E19 D84 N90 G91 L92	Q16-R397 VanDerWaalsContact NE2-NE 3.12Å; E19-R397 IonicContact OE1-CZ 3.9Å; E19-R397 IonicContact OE1-NE 2.77Å; E19-R397 IonicContact OE1-NH2 2.83Å; E19-R397 PolarHBondContact OE1-NH2 2.95Å; E19-R397 IonicContact OE2-CZ 2.68Å; E19-R397 IonicContact OE2-NE 2.72Å; E19-R397 PolarHBondContact OE2-NE 3.44Å; E19-R397 IonicContact OE2-NH2 3.25Å; E19-R397 PolarHBondContact OE2-NH2 3.06Å; D84-R397 VanDerWaalsContact OD2-CD 3.29Å; D84-R397 WeakPolarHBondContact OD2-CD 3.09Å; D84-R397 IonicContact OD2-CZ 3.27Å; D84-R397 IonicContact OD2-NE 3.98Å; D84-R397 IonicContact OD2-NH1 3.96Å; D84-R397 PolarHBondContact OD2-NH1 3.25Å; N90-R397 PolarHBondContact O-N 3.49Å; G91-R397 CarbonylContact C-O 3.54Å; G91-R397 WeakPolarHBondContact CA-O 3.49Å; L92-R397 PolarHBondContact N-O 3.39Å
398	V	91.6	Very high	88.9	Confident	4 Å²	4	18 Å²	18	2%	0.024	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	120.9	-179.3	-173	0	0	0	0	110	V18 E19 L92 F94 F391 F392 T429	V18-V398 HydrophobicContact CG1-CB 4.47Å; V18-V398 HydrophobicContact CG1-CG1 4.15Å; V18-V398 HydrophobicContact CG2-CB 4.36Å; E19-V398 PolarHBondContact N-O 3.46Å; E19-V398 VanDerWaalsContact N-O 3.1Å; L92-V398 HydrophobicContact CD2-CG1 4.32Å; L92-V398 HydrophobicContact CD2-CG2 4.48Å; L92-V398 HydrophobicContact CG-CG1 4.45Å; L92-V398 WeakPolarHBondContact O-CA 3.41Å; F94-V398 HydrophobicContact CE2-CG1 4.35Å; F391-V398 HydrophobicContact CB-CG2 3.99Å; F392-V398 HydrophobicContact CE1-CG1 4.48Å; V398-T429 HydrophobicContact CG2-CG2 4.3Å
399	A	93.6	Very high	88.6	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	147.9	177.7	0	0	0	0	0	111.3	E19 F21 V81 L92 L93 F94	E19-A399 CarbonylContact O-C 3.59Å; E19-A399 VanDerWaalsContact O-CA 3.3Å; E19-A399 WeakPolarHBondContact O-CA 3.04Å; F21-A399 HydrophobicContact CE2-CB 4.4Å; V81-A399 HydrophobicContact CG2-CB 4.14Å; L92-A399 PolarHBondContact O-N 3.48Å; L93-A399 WeakPolarHBondContact CA-O 3.42Å; L93-A399 HydrophobicContact CG-CB 4.29Å; F94-A399 PolarHBondContact N-O 2.94Å
400	M	94.7	Very high	88.4	Confident	9 Å²	9	23.6 Å²	23.6	4%	0.044	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	114.6	-178.7	-175.1	-179.3	179.9	0	0	110.5	E19 V20 F21 Y96 V402 F420	E19-M400 PolarHBondContact O-N 3.14Å; V20-M400 WeakPolarHBondContact CA-O 3.17Å; V20-M400 HydrophobicContact CG1-CB 4.33Å; V20-M400 HydrophobicContact CG1-CG 4.47Å; V20-M400 HydrophobicContact CG1-SD 4.43Å; V20-M400 HydrophobicContact CG2-CB 4.26Å; F21-M400 PolarHBondContact N-O 2.96Å; Y96-M400 HydrophobicContact CD1-CE 3.47Å; Y96-M400 VanDerWaalsContact CD1-CE 3.47Å; Y96-M400 HydrophobicContact CD2-CE 4.29Å; Y96-M400 HydrophobicContact CE1-CE 4.26Å; Y96-M400 HydrophobicContact CG-CE 3.5Å; Y96-M400 VanDerWaalsContact CG-CE 3.5Å; M400-V402 HydrophobicContact CE-CG2 4.09Å; M400-V402 HydrophobicContact CG-CG2 4Å; M400-V402 HydrophobicContact SD-CG2 4.35Å; M400-F420 HydrophobicContact CE-CD1 4.13Å; M400-F420 HydrophobicContact CE-CE1 3.58Å; M400-F420 HydrophobicContact CE-CZ 4.16Å
401	L	97.4	Very high	88.6	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	111.5	176.1	-176	56.5	0	0	0	110.4	F21 R23 L64 V73 V77 F94 T95 Y96 I116	F21-L401 HydrophobicContact CB-CD1 3.88Å; R23-L401 HydrophobicContact CB-CD1 3.99Å; L64-L401 HydrophobicContact CD1-CD1 3.97Å; V73-L401 HydrophobicContact CG1-CD2 3.72Å; V77-L401 HydrophobicContact CG1-CB 4.34Å; V77-L401 HydrophobicContact CG2-CD1 4.19Å; F94-L401 PolarHBondContact O-N 3.09Å; T95-L401 CarbonylContact C-O 3.54Å; T95-L401 WeakPolarHBondContact CA-O 3.28Å; T95-L401 HydrophobicContact CG2-CB 4.18Å; T95-L401 HydrophobicContact CG2-CD2 4.14Å; T95-L401 HydrophobicContact CG2-CG 4.39Å; Y96-L401 PolarHBondContact N-O 3Å; I116-L401 HydrophobicContact CD1-CD2 3.69Å
402	V	96.8	Very high	88.6	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	100.4	-172.7	-177.5	0	0	0	0	108.8	V20 F21 C22 R23 Y96 M400 I404 V417 A421	V20-V402 HydrophobicContact CG1-CG2 3.67Å; F21-V402 WeakPolarHBondContact O-CB 3.32Å; F21-V402 PolarHBondContact O-N 2.98Å; C22-V402 CarbonylContact C-O 3.55Å; C22-V402 WeakPolarHBondContact CA-O 3.4Å; R23-V402 PolarHBondContact N-O 3.25Å; Y96-V402 CarbonylContact O-C 3.58Å; Y96-V402 WeakPolarHBondContact O-CA 3.42Å; M400-V402 HydrophobicContact CE-CG2 4.09Å; M400-V402 HydrophobicContact CG-CG2 4Å; M400-V402 HydrophobicContact SD-CG2 4.35Å; V402-I404 HydrophobicContact CG1-CG2 4.17Å; V402-V417 HydrophobicContact CG1-CG1 3.37Å; V402-A421 HydrophobicContact CB-CB 4.41Å; V402-A421 HydrophobicContact CG1-CB 4.06Å; V402-A421 HydrophobicContact CG2-CB 3.72Å
403	C	96.3	Very high	88.9	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.007	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	119.5	-177.6	-53.3	0	0	0	0	109.9	R23 Y96 S101 K103	R23-C403 WeakPolarHBondContact O-CA 3.38Å; Y96-C403 PolarHBondContact O-N 3.29Å; S101-C403 WeakPolarHBondContact CB-O 3.34Å; S101-C403 WeakPolarHBondContact O-CB 3.13Å; S101-C403 PolarHBondContact OG-O 3.28Å; K103-C403 HydrophobicContact CG-CB 4.17Å
404	I	94.7	Very high	89.5	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	149.8	-177.7	65.4	173	0	0	0	112.8	R23 V24 K25 I35 I43 V402 T414 V417 L418	R23-I404 PolarHBondContact O-N 3.06Å; V24-I404 HydrophobicContact CB-CG1 4.47Å; V24-I404 HydrophobicContact CG1-CG1 4.41Å; V24-I404 HydrophobicContact CG2-CD1 4.21Å; V24-I404 HydrophobicContact CG2-CG1 4.34Å; K25-I404 VanDerWaalsContact CB-O 3.28Å; K25-I404 WeakPolarHBondContact CB-O 3.28Å; K25-I404 PolarHBondContact N-O 2.88Å; I35-I404 HydrophobicContact CD1-CD1 4.1Å; I35-I404 HydrophobicContact CG1-CD1 4.09Å; I35-I404 HydrophobicContact CG2-CD1 4.02Å; I43-I404 HydrophobicContact CD1-CD1 3.66Å; V402-I404 HydrophobicContact CG1-CG2 4.17Å; I404-T414 HydrophobicContact CB-CG2 4.11Å; I404-T414 HydrophobicContact CG2-CG2 4.19Å; I404-V417 HydrophobicContact CG2-CG1 4.03Å; I404-L418 HydrophobicContact CD1-CD2 4.3Å; I404-L418 HydrophobicContact CG2-CD2 4.03Å
405	Q	90.1	Very high	90.2	Very high	40 Å²	40	22.6 Å²	22.6	19%	0.187	12%	0.115	C	C	.	.			trans	-109.9	138.3	174.4	-178.3	163.1	-71.5	0	0	109.7	A407 E410 T414	Q405-A407 VanDerWaalsContact C-N 3.33Å; Q405-A407 HydrophobicContact CG-CB 4Å; Q405-A407 PolarHBondContact O-N 2.94Å; Q405-E410 HydrophobicContact CG-CG 4.49Å; Q405-T414 PolarHBondContact O-OG1 2.97Å
406	Q	92	Very high	90.8	Very high	18 Å²	18	23.5 Å²	23.5	8%	0.084	12%	0.117	C	C	.	.			trans	-86	1.3	-173.4	-48.7	-176.4	60	0	0	114.2	V24 K25 F27 P33 C34 I35	V24-Q406 VanDerWaalsContact CG1-CD 3.47Å; V24-Q406 HydrophobicContact CG1-CG 3.44Å; V24-Q406 VanDerWaalsContact CG1-CG 3.44Å; K25-Q406 PolarHBondContact O-NE2 2.89Å; F27-Q406 HydrophobicContact CB-CB 4.02Å; F27-Q406 HydrophobicContact CB-CG 4.28Å; F27-Q406 HydrophobicContact CD2-CB 4.29Å; F27-Q406 HydrophobicContact CG-CB 4.07Å; P33-Q406 WeakPolarHBondContact CA-O 3.15Å; P33-Q406 HydrophobicContact CB-CB 3.83Å; C34-Q406 PolarHBondContact N-O 2.73Å; C34-Q406 PolarHBondContact SG-O 3.49Å; I35-Q406 HydrophobicContact CB-CG 4.29Å
407	A	89.6	Confident	91.2	Very high	6 Å²	6	22.9 Å²	22.9	5%	0.05	11%	0.111	C	C	.	.			trans	-69	134.3	-174.7	0	0	0	0	0	111.4	F27 C34 Q405 E409 E410 Y411	F27-A407 HydrophobicContact CE2-CB 3.81Å; C34-A407 PolarHBondContact SG-O 3.05Å; C34-A407 VanDerWaalsContact SG-O 3.37Å; Q405-A407 VanDerWaalsContact C-N 3.33Å; Q405-A407 HydrophobicContact CG-CB 4Å; Q405-A407 PolarHBondContact O-N 2.94Å; A407-E409 WeakPolarHBondContact CB-OE2 2.97Å; A407-E409 PolarHBondContact O-N 3.48Å; A407-E410 HydrophobicContact CB-CB 4.45Å; A407-E410 HydrophobicContact CB-CG 4.28Å; A407-E410 PolarHBondContact O-N 2.88Å; A407-Y411 PolarHBondContact O-N 3.24Å
408	P	88	Confident	91.4	Very high	54 Å²	54	20.9 Å²	20.9	35%	0.351	10%	0.103	S	C	.	.	G	3₁₀ helix	trans	-57.2	-31.8	-179.5	-26.2	35.7	0	0	0	114.4	I32 E410 Y411	I32-P408 WeakPolarHBondContact O-CG 3.49Å; P408-E410 PolarHBondContact O-N 3.06Å; P408-Y411 WeakPolarHBondContact O-CB 3.18Å; P408-Y411 PolarHBondContact O-N 3Å; P408-Y411 VanDerWaalsContact O-N 3.14Å
409	E	86.5	Confident	91.3	Very high	110 Å²	110	25.6 Å²	25.6	51%	0.514	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-71.6	-19.9	179.6	-49	62.6	-122.8	0	0	111.8	R325 A407	R325-E409 PolarHBondContact NH1-O 2.96Å; R325-E409 PolarHBondContact NH2-O 3.33Å; A407-E409 WeakPolarHBondContact CB-OE2 2.97Å; A407-E409 PolarHBondContact O-N 3.48Å
410	E	86.3	Confident	91	Very high	30 Å²	30	26.2 Å²	26.2	14%	0.14	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-94.8	-8.3	173.9	-64.1	-50.2	134.6	0	0	113.3	R325 Q405 A407 P408 E412 E413 T414	R325-E410 IonicContact CZ-OE1 2.64Å; R325-E410 VanDerWaalsContact CZ-OE1 3.28Å; R325-E410 IonicContact CZ-OE2 2.98Å; R325-E410 IonicContact NH1-OE1 3.59Å; R325-E410 PolarHBondContact NH1-OE1 2.92Å; R325-E410 VanDerWaalsContact NH1-OE1 3.16Å; R325-E410 IonicContact NH1-OE2 3.81Å; R325-E410 PolarHBondContact NH1-OE2 3.34Å; R325-E410 IonicContact NH2-OE1 2.76Å; R325-E410 PolarHBondContact NH2-OE1 3.33Å; R325-E410 IonicContact NH2-OE2 3.39Å; Q405-E410 HydrophobicContact CG-CG 4.49Å; A407-E410 HydrophobicContact CB-CB 4.45Å; A407-E410 HydrophobicContact CB-CG 4.28Å; A407-E410 PolarHBondContact O-N 2.88Å; P408-E410 PolarHBondContact O-N 3.06Å; E410-E412 PolarHBondContact O-N 2.99Å; E410-E412 VanDerWaalsContact O-N 3.1Å; E410-E413 PolarHBondContact O-N 3.2Å; E410-T414 WeakPolarHBondContact O-CB 3.14Å; E410-T414 PolarHBondContact O-N 3.17Å; E410-T414 PolarHBondContact O-OG1 3.32Å
411	Y	89.7	Confident	90.8	Very high	25 Å²	25	25.8 Å²	25.8	10%	0.098	12%	0.124	C	C	.	.	H	α-helix	trans	-47.6	-47.2	-176.3	172.2	-101	0	0	0	112.2	C34 A407 P408 E413 T414 M415	C34-Y411 HydrophobicContact CB-CD2 3.87Å; C34-Y411 HydrophobicContact CB-CG 4.4Å; A407-Y411 PolarHBondContact O-N 3.24Å; P408-Y411 WeakPolarHBondContact O-CB 3.18Å; P408-Y411 PolarHBondContact O-N 3Å; P408-Y411 VanDerWaalsContact O-N 3.14Å; Y411-E413 PolarHBondContact O-N 2.99Å; Y411-T414 PolarHBondContact O-N 3Å; Y411-M415 HydrophobicContact CD1-CG 4.25Å; Y411-M415 HydrophobicContact CD2-CG 4.08Å; Y411-M415 HydrophobicContact CD2-SD 4.49Å; Y411-M415 HydrophobicContact CE1-CG 3.84Å; Y411-M415 HydrophobicContact CE2-CG 3.66Å; Y411-M415 HydrophobicContact CE2-SD 3.78Å; Y411-M415 HydrophobicContact CG-CG 4.36Å; Y411-M415 WeakPolarHBondContact O-CB 3.48Å; Y411-M415 VanDerWaalsContact O-CG 3.22Å; Y411-M415 WeakPolarHBondContact O-CG 3.28Å; Y411-M415 PolarHBondContact O-N 3.46Å
412	E	88.5	Confident	90.2	Very high	67 Å²	67	28.3 Å²	28.3	31%	0.313	14%	0.136	S	C	.	.	H	α-helix	trans	-62.6	-45.4	-178.9	-68.9	-63.9	141.2	0	0	113.4	R49 E410 M415 H416	R49-E412 IonicContact CZ-OE1 3.19Å; R49-E412 IonicContact CZ-OE2 2.7Å; R49-E412 IonicContact NE-OE1 2.76Å; R49-E412 PolarHBondContact NE-OE1 2.94Å; R49-E412 IonicContact NH2-OE1 2.81Å; R49-E412 PolarHBondContact NH2-OE1 3.08Å; R49-E412 IonicContact NH2-OE2 2.75Å; R49-E412 PolarHBondContact NH2-OE2 3.08Å; E410-E412 PolarHBondContact O-N 2.99Å; E410-E412 VanDerWaalsContact O-N 3.1Å; E412-M415 PolarHBondContact O-N 3.39Å; E412-H416 PolarHBondContact O-CE1 2.53Å; E412-H416 PolarHBondContact O-N 3.3Å; E412-H416 PolarHBondContact O-ND1 3.16Å
413	E	88.9	Confident	89.5	Confident	9 Å²	9	30.5 Å²	30.5	4%	0.042	15%	0.149	C	C	.	.	H	α-helix	trans	-74.7	-36.1	179.2	-62.3	-66	176.6	0	0	111.1	V98 E321 R322 E410 Y411 M415 H416 V417	V98-E413 HydrophobicContact CG1-CB 3.57Å; E321-E413 HydrophobicContact CB-CG 4.4Å; R322-E413 WeakPolarHBondContact CB-OE1 3.33Å; R322-E413 WeakPolarHBondContact CD-OE1 3.42Å; R322-E413 WeakPolarHBondContact CG-OE1 3.4Å; R322-E413 PolarHBondContact N-OE1 3.37Å; E410-E413 PolarHBondContact O-N 3.2Å; Y411-E413 PolarHBondContact O-N 2.99Å; E413-M415 VanDerWaalsContact C-N 3.33Å; E413-M415 PolarHBondContact O-N 2.96Å; E413-H416 PolarHBondContact O-N 3.42Å; E413-H416 IonicContact OE2-ND1 3.83Å; E413-V417 WeakPolarHBondContact O-CG2 3.47Å; E413-V417 PolarHBondContact O-N 2.91Å
414	T	91.2	Very high	88.8	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.012	15%	0.149	C	C	.	.	H	α-helix	trans	-57.8	-42.7	169.7	-65.9	0	0	0	0	111.2	I35 I404 Q405 E410 Y411 H416 V417 L418	I35-T414 HydrophobicContact CD1-CG2 3.91Å; I35-T414 HydrophobicContact CG1-CG2 4.44Å; I404-T414 HydrophobicContact CB-CG2 4.11Å; I404-T414 HydrophobicContact CG2-CG2 4.19Å; Q405-T414 PolarHBondContact O-OG1 2.97Å; E410-T414 WeakPolarHBondContact O-CB 3.14Å; E410-T414 PolarHBondContact O-N 3.17Å; E410-T414 PolarHBondContact O-OG1 3.32Å; Y411-T414 PolarHBondContact O-N 3Å; T414-H416 VanDerWaalsContact C-N 3.27Å; T414-H416 PolarHBondContact O-N 3.18Å; T414-V417 WeakPolarHBondContact O-CA 3.46Å; T414-V417 WeakPolarHBondContact O-CB 3.37Å; T414-V417 PolarHBondContact O-N 2.97Å; T414-L418 HydrophobicContact CG2-CD1 3.89Å; T414-L418 HydrophobicContact CG2-CG 4.23Å; T414-L418 WeakPolarHBondContact O-CG 2.97Å; T414-L418 PolarHBondContact O-N 2.67Å
415	M	90.4	Very high	88.1	Confident	6 Å²	6	32.3 Å²	32.3	3%	0.03	16%	0.158	C	C	.	.	H	α-helix	trans	-63.7	-27.5	173.9	-74	-50.8	-63.2	0	0	113.8	S45 T56 H58 Y411 E412 E413 L418 K419	S45-M415 WeakPolarHBondContact CB-SD 3.46Å; S45-M415 PolarHBondContact OG-SD 3.04Å; T56-M415 HydrophobicContact CG2-CE 4.48Å; H58-M415 VanDerWaalsContact NE2-CE 3.29Å; H58-M415 WeakPolarHBondContact NE2-CE 3.29Å; Y411-M415 HydrophobicContact CD1-CG 4.25Å; Y411-M415 HydrophobicContact CD2-CG 4.08Å; Y411-M415 HydrophobicContact CD2-SD 4.49Å; Y411-M415 HydrophobicContact CE1-CG 3.84Å; Y411-M415 HydrophobicContact CE2-CG 3.66Å; Y411-M415 HydrophobicContact CE2-SD 3.78Å; Y411-M415 HydrophobicContact CG-CG 4.36Å; Y411-M415 WeakPolarHBondContact O-CB 3.48Å; Y411-M415 VanDerWaalsContact O-CG 3.22Å; Y411-M415 WeakPolarHBondContact O-CG 3.28Å; Y411-M415 PolarHBondContact O-N 3.46Å; E412-M415 PolarHBondContact O-N 3.39Å; E413-M415 VanDerWaalsContact C-N 3.33Å; E413-M415 PolarHBondContact O-N 2.96Å; M415-L418 HydrophobicContact SD-CD1 4.48Å; M415-K419 WeakPolarHBondContact O-CD 3.42Å; M415-K419 VanDerWaalsContact O-CG 3.31Å; M415-K419 WeakPolarHBondContact O-CG 3.43Å; M415-K419 PolarHBondContact O-N 3.22Å
416	H	88.7	Confident	87.1	Confident	54 Å²	54	35 Å²	35	25%	0.25	17%	0.17	C	C	.	.	H	α-helix	trans	-80.5	-27.5	172.6	-61.6	119.1	0	0	0	112.6	R322 E412 E413 T414	R322-H416 PolarHBondContact NH1-CE1 3.16Å; R322-H416 VanDerWaalsContact NH1-CE1 3.32Å; R322-H416 PolarHBondContact NH2-CD2 2.78Å; R322-H416 PolarHBondContact NH2-CE1 2.9Å; R322-H416 PolarHBondContact NH2-ND1 3.48Å; R322-H416 PolarHBondContact NH2-NE2 3.2Å; E412-H416 PolarHBondContact O-CE1 2.53Å; E412-H416 PolarHBondContact O-N 3.3Å; E412-H416 PolarHBondContact O-ND1 3.16Å; E413-H416 PolarHBondContact O-N 3.42Å; E413-H416 IonicContact OE2-ND1 3.83Å; T414-H416 VanDerWaalsContact C-N 3.27Å; T414-H416 PolarHBondContact O-N 3.18Å
417	V	92	Very high	86.1	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.012	17%	0.167	C	C	.	.	H	α-helix	trans	-69.1	-51.9	172	166.3	0	0	0	0	110.7	Y96 V98 S320 V402 I404 E413 T414 F420 A421	Y96-V417 HydrophobicContact CD1-CG1 4.08Å; Y96-V417 HydrophobicContact CE1-CB 4.13Å; Y96-V417 HydrophobicContact CE1-CG1 3.84Å; Y96-V417 HydrophobicContact CE1-CG2 3.91Å; V98-V417 HydrophobicContact CG1-CG2 4.36Å; S320-V417 VanDerWaalsContact OG-CG2 3.23Å; S320-V417 WeakPolarHBondContact OG-CG2 3.13Å; V402-V417 HydrophobicContact CG1-CG1 3.37Å; I404-V417 HydrophobicContact CG2-CG1 4.03Å; E413-V417 WeakPolarHBondContact O-CG2 3.47Å; E413-V417 PolarHBondContact O-N 2.91Å; T414-V417 WeakPolarHBondContact O-CA 3.46Å; T414-V417 WeakPolarHBondContact O-CB 3.37Å; T414-V417 PolarHBondContact O-N 2.97Å; V417-F420 PolarHBondContact O-N 3.12Å; V417-A421 PolarHBondContact O-N 2.94Å
418	L	92.6	Very high	84.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.3	-50.7	-176.3	-66.4	173.5	0	0	0	112.5	I35 I43 F60 I404 T414 M415 F420 A421 E422	I35-L418 HydrophobicContact CD1-CD1 4.08Å; I43-L418 HydrophobicContact CD1-CD1 4.11Å; I43-L418 HydrophobicContact CD1-CD2 3.79Å; F60-L418 HydrophobicContact CE2-CD2 4.05Å; F60-L418 HydrophobicContact CZ-CD2 3.66Å; I404-L418 HydrophobicContact CD1-CD2 4.3Å; I404-L418 HydrophobicContact CG2-CD2 4.03Å; T414-L418 HydrophobicContact CG2-CD1 3.89Å; T414-L418 HydrophobicContact CG2-CG 4.23Å; T414-L418 WeakPolarHBondContact O-CG 2.97Å; T414-L418 PolarHBondContact O-N 2.67Å; M415-L418 HydrophobicContact SD-CD1 4.48Å; L418-F420 PolarHBondContact O-N 3.28Å; L418-F420 VanDerWaalsContact O-N 3.17Å; L418-A421 WeakPolarHBondContact O-CA 3.41Å; L418-A421 WeakPolarHBondContact O-CB 3.48Å; L418-A421 PolarHBondContact O-N 3.07Å; L418-E422 PolarHBondContact O-N 3.41Å
419	K	88.5	Confident	83.4	Confident	104 Å²	104	33.2 Å²	33.2	45%	0.452	16%	0.159	S	C	.	.	H	α-helix	trans	-58	-33.3	178.8	-72	170.4	-176.2	158.9	0	113.9	M415 E422 T423	M415-K419 WeakPolarHBondContact O-CD 3.42Å; M415-K419 VanDerWaalsContact O-CG 3.31Å; M415-K419 WeakPolarHBondContact O-CG 3.43Å; M415-K419 PolarHBondContact O-N 3.22Å; K419-E422 WeakPolarHBondContact CA-OE2 3.26Å; K419-T423 WeakPolarHBondContact O-CB 3.47Å; K419-T423 PolarHBondContact O-N 3.21Å; K419-T423 PolarHBondContact O-OG1 2.91Å
420	F	87.6	Confident	81.8	Confident	12 Å²	12	33.3 Å²	33.3	5%	0.053	16%	0.155	C	C	.	.	H	α-helix	trans	-76.2	-38.5	175.7	167.1	-127.8	0	0	0	111.8	Y96 L346 R347 I350 M400 V417 L418 T423 S424	Y96-F420 HydrophobicContact CD1-CD1 4.24Å; Y96-F420 HydrophobicContact CD1-CE1 4.34Å; Y96-F420 HydrophobicContact CD2-CE1 4.33Å; Y96-F420 AromaticContact CE1-CD1 3.53Å; Y96-F420 HydrophobicContact CE1-CD1 3.53Å; Y96-F420 AromaticContact CE1-CE1 3.96Å; Y96-F420 HydrophobicContact CE1-CE1 3.96Å; Y96-F420 HydrophobicContact CE2-CD1 4.17Å; Y96-F420 AromaticContact CE2-CE1 3.94Å; Y96-F420 HydrophobicContact CE2-CE1 3.94Å; Y96-F420 AromaticContact CZ-CD1 3.49Å; Y96-F420 VanDerWaalsContact CZ-CD1 3.49Å; Y96-F420 AromaticContact CZ-CE1 3.75Å; L346-F420 HydrophobicContact CG-CZ 4.37Å; R347-F420 HydrophobicContact CB-CD2 4.15Å; R347-F420 HydrophobicContact CB-CE2 4.02Å; R347-F420 HydrophobicContact CG-CD1 4.15Å; R347-F420 HydrophobicContact CG-CD2 3.57Å; R347-F420 HydrophobicContact CG-CE1 4.12Å; R347-F420 HydrophobicContact CG-CE2 3.56Å; R347-F420 HydrophobicContact CG-CG 3.89Å; R347-F420 HydrophobicContact CG-CZ 3.85Å; I350-F420 HydrophobicContact CB-CE2 4.4Å; I350-F420 HydrophobicContact CD1-CE2 3.64Å; I350-F420 HydrophobicContact CD1-CZ 3.63Å; I350-F420 HydrophobicContact CG2-CE2 4.06Å; M400-F420 HydrophobicContact CE-CD1 4.13Å; M400-F420 HydrophobicContact CE-CE1 3.58Å; M400-F420 HydrophobicContact CE-CZ 4.16Å; V417-F420 PolarHBondContact O-N 3.12Å; L418-F420 PolarHBondContact O-N 3.28Å; L418-F420 VanDerWaalsContact O-N 3.17Å; F420-T423 PolarHBondContact O-N 3.45Å; F420-S424 VanDerWaalsContact CE2-OG 3.3Å; F420-S424 WeakPolarHBondContact CE2-OG 3.16Å; F420-S424 PolarHBondContact O-N 2.82Å; F420-S424 VanDerWaalsContact O-N 3.12Å; F420-S424 PolarHBondContact O-OG 3.47Å
421	A	90.3	Very high	80	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.1	-43.3	175.8	0	0	0	0	0	112.4	V20 F60 V402 V417 L418 S424 Q425	V20-A421 HydrophobicContact CG1-CB 4Å; F60-A421 HydrophobicContact CE1-CB 3.7Å; F60-A421 HydrophobicContact CZ-CB 4.42Å; V402-A421 HydrophobicContact CB-CB 4.41Å; V402-A421 HydrophobicContact CG1-CB 4.06Å; V402-A421 HydrophobicContact CG2-CB 3.72Å; V417-A421 PolarHBondContact O-N 2.94Å; L418-A421 WeakPolarHBondContact O-CA 3.41Å; L418-A421 WeakPolarHBondContact O-CB 3.48Å; L418-A421 PolarHBondContact O-N 3.07Å; A421-S424 WeakPolarHBondContact O-CB 3.27Å; A421-S424 PolarHBondContact O-N 2.91Å; A421-Q425 PolarHBondContact O-N 2.74Å
422	E	85.9	Confident	77.7	Confident	54 Å²	54	40.3 Å²	40.3	25%	0.252	19%	0.189	S	C	.	.	H	α-helix	trans	-58.3	-51	171.1	-66.7	175.1	126.3	0	0	111.8	H58 F60 L418 K419 S424 Q425	H58-E422 WeakPolarHBondContact CA-OE1 3.48Å; H58-E422 IonicContact CE1-OE1 2.65Å; H58-E422 IonicContact CE1-OE2 3.65Å; H58-E422 PolarHBondContact CE1-OE2 3.45Å; H58-E422 IonicContact CG-OE1 3.3Å; H58-E422 IonicContact ND1-OE1 2.68Å; H58-E422 PolarHBondContact ND1-OE1 3.5Å; H58-E422 IonicContact ND1-OE2 2.64Å; H58-E422 PolarHBondContact ND1-OE2 3.35Å; F60-E422 HydrophobicContact CZ-CG 4.47Å; L418-E422 PolarHBondContact O-N 3.41Å; K419-E422 WeakPolarHBondContact CA-OE2 3.26Å; E422-S424 PolarHBondContact O-N 2.93Å; E422-Q425 PolarHBondContact O-N 2.99Å; E422-Q425 VanDerWaalsContact O-N 3.11Å
423	T	81.8	Confident	75.3	Confident	45 Å²	45	43.5 Å²	43.5	28%	0.276	21%	0.206	S	C	.	.	H	α-helix	trans	-55.8	-23.4	178.5	-59.2	0	0	0	0	112.8	K419 F420	K419-T423 WeakPolarHBondContact O-CB 3.47Å; K419-T423 PolarHBondContact O-N 3.21Å; K419-T423 PolarHBondContact O-OG1 2.91Å; F420-T423 PolarHBondContact O-N 3.45Å
424	S	81.6	Confident	73.1	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.007	23%	0.225	C	C	.	.	H	α-helix	trans	-87.3	-26.1	-177.2	-54.6	0	0	0	0	114.1	F420 A421 E422 E426 I427	F420-S424 VanDerWaalsContact CE2-OG 3.3Å; F420-S424 WeakPolarHBondContact CE2-OG 3.16Å; F420-S424 PolarHBondContact O-N 2.82Å; F420-S424 VanDerWaalsContact O-N 3.12Å; F420-S424 PolarHBondContact O-OG 3.47Å; A421-S424 WeakPolarHBondContact O-CB 3.27Å; A421-S424 PolarHBondContact O-N 2.91Å; E422-S424 PolarHBondContact O-N 2.93Å; S424-E426 PolarHBondContact O-N 2.84Å; S424-I427 PolarHBondContact O-N 3.32Å
425	Q	79.7	Confident	70.5	Confident	40 Å²	40	53.6 Å²	53.6	19%	0.187	26%	0.258	C	S	.	.	H	α-helix	trans	-65.8	-28.6	177.3	-70.8	170.5	61	0	0	112.9	V20 S59 F60 A421 E422 I427	V20-Q425 HydrophobicContact CB-CG 3.49Å; V20-Q425 VanDerWaalsContact CB-CG 3.49Å; V20-Q425 HydrophobicContact CG1-CG 4.42Å; V20-Q425 HydrophobicContact CG2-CB 4.39Å; V20-Q425 HydrophobicContact CG2-CG 3.43Å; V20-Q425 VanDerWaalsContact CG2-CG 3.43Å; S59-Q425 PolarHBondContact O-NE2 3.27Å; S59-Q425 PolarHBondContact O-OE1 2.81Å; F60-Q425 VanDerWaalsContact CD1-NE2 3.31Å; A421-Q425 PolarHBondContact O-N 2.74Å; E422-Q425 PolarHBondContact O-N 2.99Å; E422-Q425 VanDerWaalsContact O-N 3.11Å; Q425-I427 PolarHBondContact O-N 2.87Å; Q425-I427 VanDerWaalsContact O-N 3.16Å
426	E	69.8	Low	67.8	Low	96 Å²	96	56.4 Å²	56.4	45%	0.449	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	13.4	-178.5	-62.7	-176.1	-105.6	0	0	113.6	R354 S424	R354-E426 HydrophobicContact CG-CB 4.41Å; R354-E426 IonicContact CZ-OE1 2.72Å; R354-E426 IonicContact CZ-OE2 2.67Å; R354-E426 IonicContact NE-OE1 3.67Å; R354-E426 IonicContact NE-OE2 3.28Å; R354-E426 PolarHBondContact NE-OE2 2.99Å; R354-E426 VanDerWaalsContact NH1-CD 3.31Å; R354-E426 IonicContact NH1-OE1 3.69Å; R354-E426 PolarHBondContact NH1-OE1 2.9Å; R354-E426 IonicContact NH1-OE2 3.16Å; R354-E426 IonicContact NH2-OE1 3.87Å; R354-E426 PolarHBondContact NH2-OE1 2.87Å; R354-E426 IonicContact NH2-OE2 3.78Å; R354-E426 PolarHBondContact NH2-OE2 3.14Å; S424-E426 PolarHBondContact O-N 2.84Å
427	I	69.7	Low	65.5	Low	4 Å²	4	55.7 Å²	55.7	2%	0.021	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-100.1	127.5	172.9	-64.7	175.8	0	0	0	109.9	N17 V18 I350 L353 R354 S424 Q425	N17-I427 CarbonylContact C-O 3.31Å; N17-I427 VanDerWaalsContact CA-O 3.22Å; N17-I427 WeakPolarHBondContact CA-O 3.22Å; V18-I427 HydrophobicContact CG2-CB 3.93Å; V18-I427 HydrophobicContact CG2-CG2 3.97Å; V18-I427 PolarHBondContact N-O 3.16Å; I350-I427 VanDerWaalsContact CA-CD1 3.44Å; I350-I427 HydrophobicContact CB-CD1 3.68Å; I350-I427 HydrophobicContact CG1-CD1 3.82Å; I350-I427 HydrophobicContact CG2-CD1 3.43Å; I350-I427 VanDerWaalsContact CG2-CD1 3.43Å; I350-I427 HydrophobicContact CG2-CG1 4.5Å; I350-I427 WeakPolarHBondContact O-CD1 3.32Å; L353-I427 HydrophobicContact CB-CD1 4.23Å; L353-I427 HydrophobicContact CB-CG2 4.34Å; R354-I427 HydrophobicContact CB-CG1 4.15Å; S424-I427 PolarHBondContact O-N 3.32Å; Q425-I427 PolarHBondContact O-N 2.87Å; Q425-I427 VanDerWaalsContact O-N 3.16Å
428	T	62.9	Low	62.6	Low	34 Å²	34	60 Å²	60	21%	0.209	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123	169.7	-54.2	0	0	0	0	110	T15 Q16 N17 Q357	T15-T428 HydrophobicContact CG2-CG2 3.46Å; T15-T428 VanDerWaalsContact CG2-CG2 3.46Å; Q16-T428 CarbonylContact O-C 3.55Å; N17-T428 WeakPolarHBondContact OD1-CB 3.4Å; N17-T428 PolarHBondContact OD1-OG1 2.88Å; Q357-T428 PolarHBondContact NE2-O 2.87Å
429	T	59.9	Low	59.8	Low	3 Å²	3	62.6 Å²	62.6	2%	0.018	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	139.3	164.9	63.2	0	0	0	0	110.1	Q16 V18 V398	Q16-T429 PolarHBondContact N-O 3.39Å; Q16-T429 PolarHBondContact O-N 2.85Å; Q16-T429 PolarHBondContact O-OG1 2.89Å; V18-T429 HydrophobicContact CG2-CG2 4.35Å; V398-T429 HydrophobicContact CG2-CG2 4.3Å
430	Y	52.2	Low	57.2	Low	112 Å²	112	66.2 Å²	66.2	44%	0.439	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	115.3	175	-57.6	-77.1	0	0	0	108.8	T15 G394 N432	T15-Y430 HydrophobicContact CG2-CD1 3.9Å; T15-Y430 HydrophobicContact CG2-CE1 4.22Å; G394-Y430 CarbonylContact C-O 3.15Å; G394-Y430 WeakPolarHBondContact CA-O 3.32Å; Y430-N432 PolarHBondContact O-N 3.06Å
431	R	47.4	Very low	54.4	Low	90 Å²	90	70.4 Å²	70.4	34%	0.34	35%	0.354	S	S	.	.			trans	-68.5	106	176.4	-67.3	175.9	169.3	179.5	-6	109.8	H14	H14-R431 VanDerWaalsContact O-CB 3.27Å; H14-R431 WeakPolarHBondContact O-CB 3.47Å; H14-R431 WeakPolarHBondContact O-CG 3.25Å; H14-R431 PolarHBondContact O-N 2.91Å
432	N	41.7	Very low	51.7	Low	112 Å²	112	75.5 Å²	75.5	60%	0.599	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-67.4	133.8	161.6	-71.8	-66.8	0	0	0	108.6	G394 Y430 V434	G394-N432 PolarHBondContact O-N 2.65Å; Y430-N432 PolarHBondContact O-N 3.06Å; N432-V434 PolarHBondContact O-N 2.87Å
433	I	38.7	Very low	49.1	Very low	133 Å²	133	82.5 Å²	82.5	68%	0.682	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-67.7	125.4	171.2	-60.1	175.4	0	0	0	107.3	Q435	I433-Q435 PolarHBondContact O-N 2.77Å; I433-Q435 VanDerWaalsContact O-N 3.16Å
434	V	42.3	Very low	46.6	Very low	73 Å²	73	83.5 Å²	83.5	44%	0.442	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-58.8	117.6	179.8	-179.7	0	0	0	0	109.1	V308 N432	V308-V434 HydrophobicContact CG1-CG1 4.29Å; N432-V434 PolarHBondContact O-N 2.87Å
435	Q	35.8	Very low	44.2	Very low	150 Å²	150	92.8 Å²	92.8	70%	0.701	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-103.6	139.7	172.2	-64.4	-159.8	-20.5	0	0	109.7	I433 T437	I433-Q435 PolarHBondContact O-N 2.77Å; I433-Q435 VanDerWaalsContact O-N 3.16Å; Q435-T437 PolarHBondContact O-N 2.99Å
436	P	35.2	Very low	41.8	Very low	66 Å²	66	96.4 Å²	96.4	43%	0.429	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-50.5	137.2	174.7	-27.5	35.2	0	0	0	111.6	P438	P436-P438 WeakPolarHBondContact O-CD 3.36Å
437	T	39.4	Very low	39.8	Very low	38 Å²	38	103.4 Å²	103.4	23%	0.233	53%	0.527	C	S	.	.			trans	-75	110.4	-171.9	-42.2	0	0	0	0	110.1	Q435 F439	Q435-T437 PolarHBondContact O-N 2.99Å; T437-F439 PolarHBondContact O-N 2.76Å
438	P	31	Very low	38	Very low	94 Å²	94	109.3 Å²	109.3	61%	0.61	57%	0.568	S	S	*	*			trans	-71.7	104.2	-170	-17.1	31.8	0	0	0	111.1	P436 R440	P436-P438 WeakPolarHBondContact O-CD 3.36Å; P438-R440 PolarHBondContact O-N 2.66Å
439	F	34.8	Very low	36.6	Very low	54 Å²	54	119.5 Å²	119.5	24%	0.237	60%	0.603	C	S	.	*	P	Polyproline II helix	trans	-70.4	129.2	-177.8	-126.6	-90	0	0	0	111.4	D141 F146 I147 K304 T437	D141-F439 HydrophobicContact CB-CE1 4.26Å; D141-F439 HydrophobicContact CB-CZ 3.88Å; D141-F439 WeakPolarHBondContact OD2-CZ 3.39Å; F146-F439 WeakPolarHBondContact O-CE2 3.22Å; F146-F439 WeakPolarHBondContact O-CZ 3.42Å; I147-F439 HydrophobicContact CD1-CE1 4.44Å; I147-F439 HydrophobicContact CG1-CE1 3.72Å; I147-F439 HydrophobicContact CG1-CZ 3.84Å; K304-F439 HydrophobicContact CD-CB 3.88Å; K304-F439 HydrophobicContact CD-CG 4.24Å; T437-F439 PolarHBondContact O-N 2.76Å
440	R	34.1	Very low	35	Very low	179 Å²	179	126.7 Å²	126.7	68%	0.675	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-86.4	130.4	158.9	-87.5	-171.8	167.8	-173.8	-3.9	109.1	P438	P438-R440 PolarHBondContact O-N 2.66Å
441	T	29.3	Very low	34	Very low	101 Å²	101	130.4 Å²	130.4	62%	0.62	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-56.3	146.3	161.2	38.9	0	0	0	0	110.1
442	P	33.6	Very low	33	Very low	106 Å²	106	132 Å²	132	69%	0.688	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-51.2	144.4	162.3	-24.1	34.5	0	0	0	109.5	G444	P442-G444 PolarHBondContact O-N 3.12Å
443	Y	29.8	Very low	32.3	Very low	201 Å²	201	132.4 Å²	132.4	79%	0.788	69%	0.69	S	S	*	*			trans	-71.3	70.2	-163.9	-123.3	-101.7	0	0	0	113.9
444	G	29.2	Very low	31.8	Very low	66 Å²	66	132.8 Å²	132.8	68%	0.68	70%	0.698	S	S	*	*			trans	-68.6	137	157.2	0	0	0	0	0	109.6	P442 S446	P442-G444 PolarHBondContact O-N 3.12Å; G444-S446 PolarHBondContact O-N 2.87Å
445	Q	31.5	Very low	30.9	Very low	196 Å²	196	140.8 Å²	140.8	92%	0.916	72%	0.72	S	S	*	*	S	Bend	trans	-71	110.1	-168.5	-61.8	164.7	-4.7	0	0	112.5
446	S	29.4	Very low	30.7	Very low	117 Å²	117	140 Å²	140	82%	0.818	73%	0.725	S	S	*	*			trans	-166	160.3	132.1	-160.7	0	0	0	0	112.5	G444	G444-S446 PolarHBondContact O-N 2.87Å
447	R	27.6	Very low	30.3	Very low	243 Å²	243	141.1 Å²	141.1	92%	0.917	74%	0.735	S	S	*	*			trans	-115.2	115.2	167.6	-74.7	173.5	166.8	171.6	-5.4	108.4
448	S	33	Very low	29.8	Very low	127 Å²	127	146.4 Å²	146.4	89%	0.888	76%	0.761	S	S	*	*			trans	-96.5	144.5	157	54.3	0	0	0	0	109.6
449	R	31.8	Very low	29.9	Very low	248 Å²	248	149.3 Å²	149.3	94%	0.936	77%	0.772	S	S	*	*			trans	-112.3	133.2	-179.5	-171	178.3	-175.6	176.1	0.2	108.8
450	I	27.5	Very low	29.8	Very low	154 Å²	154	151.1 Å²	151.1	79%	0.79	79%	0.791	S	S	*	*			trans	-52.8	131.5	-178.7	-60.4	154.2	0	0	0	111.8
451	Q	31.7	Very low	29.7	Very low	190 Å²	190	147.8 Å²	147.8	89%	0.888	80%	0.796	S	S	*	*			trans	-161.1	164.5	133.1	-110	162.2	2.7	0	0	112.5
452	T	26.7	Very low	29.9	Very low	125 Å²	125	147.8 Å²	147.8	77%	0.767	80%	0.799	S	S	*	*			trans	-101.5	160.7	-158.3	39.8	0	0	0	0	114.2
453	P	26.4	Very low	29.7	Very low	120 Å²	120	149 Å²	149	78%	0.779	81%	0.805	S	S	*	*			trans	-89.6	161.7	-168	36.2	-37.4	0	0	0	114.7
454	V	27.7	Very low	29.9	Very low	141 Å²	141	146.2 Å²	146.2	86%	0.855	81%	0.809	S	S	*	*			trans	-133.7	141.3	161.6	178.3	0	0	0	0	108
455	R	23.7	Very low	29.9	Very low	240 Å²	240	152 Å²	152	91%	0.906	82%	0.819	S	S	*	*			trans	-109	138.4	172	-63.7	172.7	174.8	164.7	-5.4	109.3
456	V	30.5	Very low	29.8	Very low	133 Å²	133	149.6 Å²	149.6	81%	0.806	81%	0.812	S	S	*	*			trans	-145.4	144.4	138.3	-163.3	0	0	0	0	107.9
457	S	28.1	Very low	29.8	Very low	90 Å²	90	149.8 Å²	149.8	63%	0.629	81%	0.814	S	S	*	*			trans	-57.6	-179.2	159.2	23.8	0	0	0	0	112.8
458	D	28.7	Very low	29.8	Very low	149 Å²	149	144.5 Å²	144.5	80%	0.797	81%	0.808	S	S	*	*			cis	-161.3	154.9	-24.1	-88.5	-28.4	0	0	0	104
459	D	32.4	Very low	29.8	Very low	156 Å²	156	142.9 Å²	142.9	83%	0.834	79%	0.793	S	S	*	*				173.7	-177.9	122.5	-129.6	-53.2	0	0	0	113
460	S	32.4	Very low	29.8	Very low	91 Å²	91	137.2 Å²	137.2	64%	0.636	79%	0.786	S	S	*	*			trans	-105.6	151.1	-146.2	48.3	0	0	0	0	118.2
461	S	31.7	Very low	30.4	Very low	110 Å²	110	133.5 Å²	133.5	77%	0.769	77%	0.77	S	S	*	*			trans	94.9	161.9	138.1	80.6	0	0	0	0	122.4
462	S	33.4	Very low	31.3	Very low	100 Å²	100	131.1 Å²	131.1	70%	0.699	76%	0.764	S	S	*	*			trans	71.8	80	170.9	64.7	0	0	0	0	121.5
463	T	30.4	Very low	32.5	Very low	133 Å²	133	129.9 Å²	129.9	82%	0.816	75%	0.751	S	S	*	*				40.7	114.4	125	54.8	0	0	0	0	121.5
464	T	33.2	Very low	34.2	Very low	141 Å²	141	128.4 Å²	128.4	87%	0.865	74%	0.737	S	S	*	*			trans	-149.4	164	132.1	-4.6	0	0	0	0	110.2
465	E	29	Very low	36	Very low	188 Å²	188	128.5 Å²	128.5	88%	0.879	73%	0.732	S	S	*	*			trans	-74.8	144.2	-160.6	-59.5	168.1	150.5	0	0	114.4
466	N	30.7	Very low	38.1	Very low	145 Å²	145	124 Å²	124	78%	0.775	72%	0.722	S	S	*	*			trans	-145	129.6	166.1	-85.9	-73.7	0	0	0	109.8
467	S	29.4	Very low	39.8	Very low	122 Å²	122	118.1 Å²	118.1	85%	0.853	69%	0.687	S	S	*	*			trans	-79.1	125	-171.6	-49.1	0	0	0	0	113.1
468	T	27.4	Very low	42	Very low	131 Å²	131	117.5 Å²	117.5	80%	0.804	68%	0.68	S	S	*	*			trans	-85.9	122	169.9	36.6	0	0	0	0	111.3
469	V	32.5	Very low	44.3	Very low	94 Å²	94	115.7 Å²	115.7	57%	0.57	67%	0.666	S	S	*	*			trans	-93	99.3	171.5	-177	0	0	0	0	109.4	V471 L593	V469-V471 PolarHBondContact O-N 3.27Å; V469-L593 HydrophobicContact CG1-CD1 4.13Å; V469-L593 HydrophobicContact CG1-CD2 4.27Å
470	T	31.4	Very low	46.3	Very low	128 Å²	128	108.9 Å²	108.9	79%	0.785	63%	0.63	S	S	*	*			trans	-80.4	111.7	171.2	46.6	0	0	0	0	110.4	N472	T470-N472 PolarHBondContact O-N 3.07Å
471	V	40.6	Very low	48.4	Very low	77 Å²	77	109.3 Å²	109.3	47%	0.467	62%	0.62	S	S	.	*			trans	-77.6	109.8	168.5	-176.8	0	0	0	0	107.9	V469 I473 L593	V469-V471 PolarHBondContact O-N 3.27Å; V471-I473 PolarHBondContact O-N 3.44Å; V471-L593 HydrophobicContact CG2-CD1 4.01Å
472	N	50.1	Low	50.6	Low	140 Å²	140	106.6 Å²	106.6	75%	0.749	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-72.3	116.1	174.6	-155	41.1	0	0	0	108.5	T470	T470-N472 PolarHBondContact O-N 3.07Å
473	I	53.7	Low	52.9	Low	98 Å²	98	103.3 Å²	103.3	50%	0.503	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-92.1	118.1	173.8	-62.7	174.6	0	0	0	106.4	V471 A477	V471-I473 PolarHBondContact O-N 3.44Å; I473-A477 HydrophobicContact CG2-CB 3.89Å
474	D	61.8	Low	55.2	Low	90 Å²	90	98 Å²	98	48%	0.481	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-53.8	139.3	-175.7	-60.9	-51	0	0	0	112	Q476 A477 T478	D474-Q476 PolarHBondContact O-N 2.92Å; D474-A477 WeakPolarHBondContact O-CB 3.48Å; D474-A477 PolarHBondContact O-N 3.33Å; D474-T478 PolarHBondContact O-N 3.42Å
475	D	65.7	Low	57.3	Low	142 Å²	142	95.6 Å²	95.6	76%	0.759	53%	0.527	S	S	*	.	H	α-helix	trans	-53	-30.9	-177.8	-68.9	-49.3	0	0	0	112.9	T478 Q479	D475-T478 PolarHBondContact O-N 2.97Å; D475-Q479 WeakPolarHBondContact O-CB 3.47Å; D475-Q479 PolarHBondContact O-N 2.91Å
476	Q	66.6	Low	59.9	Low	147 Å²	147	92 Å²	92	69%	0.687	51%	0.509	S	S	*	.	H	α-helix	trans	-59.8	-43.9	174	-69.2	-168.5	-1.3	0	0	113	D474 Q479 I480	D474-Q476 PolarHBondContact O-N 2.92Å; Q476-Q479 PolarHBondContact O-N 3.48Å; Q476-I480 WeakPolarHBondContact O-CD1 3.39Å; Q476-I480 WeakPolarHBondContact O-CG1 3.45Å; Q476-I480 PolarHBondContact O-N 3.34Å
477	A	67.4	Low	62.3	Low	8 Å²	8	85.3 Å²	85.3	7%	0.066	47%	0.473	C	S	.	.	H	α-helix	trans	-66.4	-43	179.1	0	0	0	0	0	110.5	I473 D474 Q479 I480 F481	I473-A477 HydrophobicContact CG2-CB 3.89Å; D474-A477 WeakPolarHBondContact O-CB 3.48Å; D474-A477 PolarHBondContact O-N 3.33Å; A477-Q479 VanDerWaalsContact C-N 3.33Å; A477-Q479 PolarHBondContact O-N 3.34Å; A477-I480 PolarHBondContact O-N 2.85Å; A477-F481 WeakPolarHBondContact O-CD2 3.4Å; A477-F481 PolarHBondContact O-N 2.89Å
478	T	73.5	Confident	64.7	Low	78 Å²	78	82.2 Å²	82.2	48%	0.479	45%	0.447	S	S	.	.	H	α-helix	trans	-58.2	-43.9	174.5	-55.3	0	0	0	0	111.6	D474 D475 F481 A482	D474-T478 PolarHBondContact O-N 3.42Å; D475-T478 PolarHBondContact O-N 2.97Å; T478-F481 PolarHBondContact O-N 2.75Å; T478-A482 PolarHBondContact O-N 3.5Å; T478-A482 VanDerWaalsContact O-N 3.09Å
479	Q	76.6	Confident	67.3	Low	110 Å²	110	83.6 Å²	83.6	51%	0.514	44%	0.438	S	S	.	.	H	α-helix	trans	-66.3	-41.1	175.6	-173.9	60.8	52	0	0	112.6	D475 Q476 A477 F481 A482 D483	D475-Q479 WeakPolarHBondContact O-CB 3.47Å; D475-Q479 PolarHBondContact O-N 2.91Å; Q476-Q479 PolarHBondContact O-N 3.48Å; A477-Q479 VanDerWaalsContact C-N 3.33Å; A477-Q479 PolarHBondContact O-N 3.34Å; Q479-F481 VanDerWaalsContact C-N 3.3Å; Q479-F481 PolarHBondContact O-N 3.33Å; Q479-A482 PolarHBondContact O-N 3.36Å; Q479-A482 VanDerWaalsContact O-N 3.16Å; Q479-D483 PolarHBondContact NE2-OD1 3.33Å; Q479-D483 PolarHBondContact O-N 2.86Å
480	I	75.6	Confident	69.6	Low	14 Å²	14	80.6 Å²	80.6	7%	0.072	42%	0.418	C	S	.	.	H	α-helix	trans	-61.5	-38.8	177.3	-70.2	162	0	0	0	111.1	Q476 A477 L484 Q578 A579	Q476-I480 WeakPolarHBondContact O-CD1 3.39Å; Q476-I480 WeakPolarHBondContact O-CG1 3.45Å; Q476-I480 PolarHBondContact O-N 3.34Å; A477-I480 PolarHBondContact O-N 2.85Å; I480-L484 HydrophobicContact CG2-CD1 4.43Å; I480-L484 WeakPolarHBondContact O-CG 3.3Å; I480-L484 PolarHBondContact O-N 3.28Å; I480-L484 VanDerWaalsContact O-N 3.1Å; I480-Q578 HydrophobicContact CD1-CB 4.3Å; I480-A579 HydrophobicContact CG2-CB 3.61Å
481	F	76.1	Confident	71.9	Confident	99 Å²	99	75.3 Å²	75.3	43%	0.434	38%	0.384	S	S	.	.	H	α-helix	trans	-67.4	-40.5	173.7	-69	-59.5	0	0	0	112.3	A477 T478 Q479 L484 D485 L583	A477-F481 WeakPolarHBondContact O-CD2 3.4Å; A477-F481 PolarHBondContact O-N 2.89Å; T478-F481 PolarHBondContact O-N 2.75Å; Q479-F481 VanDerWaalsContact C-N 3.3Å; Q479-F481 PolarHBondContact O-N 3.33Å; F481-L484 PolarHBondContact O-N 2.67Å; F481-D485 WeakPolarHBondContact O-CB 3.43Å; F481-D485 PolarHBondContact O-N 3.14Å; F481-L583 HydrophobicContact CZ-CD1 4.29Å
482	A	78.8	Confident	73.8	Confident	53 Å²	53	75.3 Å²	75.3	44%	0.438	38%	0.384	S	S	.	.	H	α-helix	trans	-62.7	-40.7	175.2	0	0	0	0	0	112.8	T478 Q479 D485 F486	T478-A482 PolarHBondContact O-N 3.5Å; T478-A482 VanDerWaalsContact O-N 3.09Å; Q479-A482 PolarHBondContact O-N 3.36Å; Q479-A482 VanDerWaalsContact O-N 3.16Å; A482-D485 PolarHBondContact O-N 3.02Å; A482-F486 PolarHBondContact O-N 3.32Å
483	D	79.9	Confident	75.2	Confident	32 Å²	32	70.8 Å²	70.8	17%	0.171	36%	0.364	C	S	.	.	H	α-helix	trans	-61.6	-41.6	174.1	-93.4	54.3	0	0	0	112.5	Q479 F486 L487 R575	Q479-D483 PolarHBondContact NE2-OD1 3.33Å; Q479-D483 PolarHBondContact O-N 2.86Å; D483-F486 PolarHBondContact O-N 2.97Å; D483-L487 VanDerWaalsContact O-CG 3.3Å; D483-L487 WeakPolarHBondContact O-CG 3.47Å; D483-L487 PolarHBondContact O-N 2.63Å; D483-R575 HydrophobicContact CB-CG 4.38Å; D483-R575 IonicContact OD2-CZ 3.16Å; D483-R575 IonicContact OD2-NE 2.82Å; D483-R575 PolarHBondContact OD2-NE 2.82Å; D483-R575 IonicContact OD2-NH2 2.68Å; D483-R575 PolarHBondContact OD2-NH2 3.11Å
484	L	80.1	Confident	76.2	Confident	21 Å²	21	66.3 Å²	66.3	11%	0.11	34%	0.341	C	S	.	.	H	α-helix	trans	-65	-41.9	175	-76.6	170.9	0	0	0	111.7	I480 F481 F486 L487 D488 R572 R575 K576 A579	I480-L484 HydrophobicContact CG2-CD1 4.43Å; I480-L484 WeakPolarHBondContact O-CG 3.3Å; I480-L484 PolarHBondContact O-N 3.28Å; I480-L484 VanDerWaalsContact O-N 3.1Å; F481-L484 PolarHBondContact O-N 2.67Å; L484-F486 VanDerWaalsContact C-N 3.26Å; L484-F486 PolarHBondContact O-N 2.69Å; L484-L487 PolarHBondContact O-N 3.1Å; L484-D488 PolarHBondContact O-N 3Å; L484-R572 HydrophobicContact CD2-CG 4.11Å; L484-R575 HydrophobicContact CD2-CB 3.63Å; L484-R575 HydrophobicContact CG-CB 4.01Å; L484-K576 HydrophobicContact CD1-CG 4.14Å; L484-K576 HydrophobicContact CD2-CG 3.83Å; L484-A579 HydrophobicContact CD1-CB 4.1Å
485	D	77.3	Confident	76.8	Confident	90 Å²	90	66.1 Å²	66.1	48%	0.481	34%	0.34	S	S	.	.	H	α-helix	trans	-67.7	-26.7	178.7	-144.9	70.5	0	0	0	112.2	F481 A482 R489	F481-D485 WeakPolarHBondContact O-CB 3.43Å; F481-D485 PolarHBondContact O-N 3.14Å; A482-D485 PolarHBondContact O-N 3.02Å; D485-R489 WeakPolarHBondContact O-CD 3.44Å; D485-R489 VanDerWaalsContact O-CG 3.25Å; D485-R489 WeakPolarHBondContact O-CG 3.36Å; D485-R489 PolarHBondContact O-NE 3.35Å; D485-R489 IonicContact OD2-CZ 3.54Å; D485-R489 IonicContact OD2-NE 3.62Å; D485-R489 IonicContact OD2-NH2 2.67Å; D485-R489 PolarHBondContact OD2-NH2 2.75Å
486	F	83.7	Confident	77.2	Confident	113 Å²	113	63.9 Å²	63.9	50%	0.496	33%	0.328	S	S	.	.	H	α-helix	trans	-72.5	-48.5	168.7	177.2	-93.3	0	0	0	112.1	A482 D483 L484 D488 R489 E490	A482-F486 PolarHBondContact O-N 3.32Å; D483-F486 PolarHBondContact O-N 2.97Å; L484-F486 VanDerWaalsContact C-N 3.26Å; L484-F486 PolarHBondContact O-N 2.69Å; F486-D488 VanDerWaalsContact C-N 3.31Å; F486-D488 PolarHBondContact O-N 3.34Å; F486-R489 WeakPolarHBondContact O-CB 3.4Å; F486-R489 PolarHBondContact O-N 3.42Å; F486-R489 VanDerWaalsContact O-N 3.1Å; F486-E490 HydrophobicContact CD1-CG 4.18Å; F486-E490 HydrophobicContact CE1-CG 3.64Å; F486-E490 HydrophobicContact CZ-CG 3.86Å; F486-E490 PolarHBondContact O-N 3.3Å; F486-E490 VanDerWaalsContact O-N 3.08Å
487	L	80.8	Confident	77.4	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-63.3	-34.4	-178.3	-72	165.3	0	0	0	112.8	D483 L484 R489 E490 I491 L568 R571 R572 R575	D483-L487 VanDerWaalsContact O-CG 3.3Å; D483-L487 WeakPolarHBondContact O-CG 3.47Å; D483-L487 PolarHBondContact O-N 2.63Å; L484-L487 PolarHBondContact O-N 3.1Å; L487-R489 VanDerWaalsContact C-N 3.31Å; L487-R489 PolarHBondContact O-N 3.3Å; L487-E490 PolarHBondContact O-N 3.48Å; L487-I491 WeakPolarHBondContact O-CB 3.48Å; L487-I491 VanDerWaalsContact O-CG1 3.29Å; L487-I491 WeakPolarHBondContact O-CG1 3.31Å; L487-I491 PolarHBondContact O-N 2.88Å; L487-L568 HydrophobicContact CD2-CD2 4.03Å; L487-R571 HydrophobicContact CD1-CG 4.13Å; L487-R571 HydrophobicContact CD2-CB 4.36Å; L487-R571 HydrophobicContact CD2-CG 4.16Å; L487-R572 HydrophobicContact CB-CB 4.4Å; L487-R572 HydrophobicContact CD1-CB 4.44Å; L487-R575 HydrophobicContact CD1-CB 4.35Å; L487-R575 HydrophobicContact CD1-CG 4.05Å
488	D	78.5	Confident	77.3	Confident	58 Å²	58	62.4 Å²	62.4	31%	0.31	32%	0.319	S	S	.	.	H	α-helix	trans	-67.1	-32.1	175.5	-80.2	21	0	0	0	112.2	L484 F486 T492 R572	L484-D488 PolarHBondContact O-N 3Å; F486-D488 VanDerWaalsContact C-N 3.31Å; F486-D488 PolarHBondContact O-N 3.34Å; D488-T492 WeakPolarHBondContact O-CB 3.35Å; D488-T492 PolarHBondContact O-N 2.95Å; D488-T492 VanDerWaalsContact O-N 3.12Å; D488-T492 PolarHBondContact O-OG1 3.49Å; D488-R572 IonicContact OD1-CZ 3.61Å; D488-R572 IonicContact OD1-NE 2.64Å; D488-R572 PolarHBondContact OD1-NE 3.02Å; D488-R572 IonicContact OD1-NH2 3.69Å; D488-R572 PolarHBondContact OD1-NH2 3.18Å; D488-R572 IonicContact OD2-CZ 3.05Å; D488-R572 IonicContact OD2-NE 3.79Å; D488-R572 IonicContact OD2-NH2 3.16Å; D488-R572 PolarHBondContact OD2-NH2 3.26Å
489	R	82.2	Confident	76.9	Confident	159 Å²	159	63.5 Å²	63.5	60%	0.6	33%	0.33	S	S	*	.	H	α-helix	trans	-71.1	-43.7	173.5	-61.2	166.6	-153.2	-175	5.5	111.5	D485 F486 L487 T492 S493	D485-R489 WeakPolarHBondContact O-CD 3.44Å; D485-R489 VanDerWaalsContact O-CG 3.25Å; D485-R489 WeakPolarHBondContact O-CG 3.36Å; D485-R489 PolarHBondContact O-NE 3.35Å; D485-R489 IonicContact OD2-CZ 3.54Å; D485-R489 IonicContact OD2-NE 3.62Å; D485-R489 IonicContact OD2-NH2 2.67Å; D485-R489 PolarHBondContact OD2-NH2 2.75Å; F486-R489 WeakPolarHBondContact O-CB 3.4Å; F486-R489 PolarHBondContact O-N 3.42Å; F486-R489 VanDerWaalsContact O-N 3.1Å; L487-R489 VanDerWaalsContact C-N 3.31Å; L487-R489 PolarHBondContact O-N 3.3Å; R489-T492 PolarHBondContact O-N 2.79Å; R489-S493 WeakPolarHBondContact O-CB 3.33Å; R489-S493 PolarHBondContact O-N 2.81Å
490	E	81.7	Confident	76.1	Confident	32 Å²	32	63.8 Å²	63.8	15%	0.15	34%	0.335	C	S	.	.	H	α-helix	trans	-60.1	-48.3	175.4	-79.6	-100	89.1	0	0	112	F486 L487 T492 S493 C494 L568	F486-E490 HydrophobicContact CD1-CG 4.18Å; F486-E490 HydrophobicContact CE1-CG 3.64Å; F486-E490 HydrophobicContact CZ-CG 3.86Å; F486-E490 PolarHBondContact O-N 3.3Å; F486-E490 VanDerWaalsContact O-N 3.08Å; L487-E490 PolarHBondContact O-N 3.48Å; E490-T492 VanDerWaalsContact C-N 3.32Å; E490-T492 PolarHBondContact O-N 2.74Å; E490-S493 WeakPolarHBondContact O-CB 3.2Å; E490-S493 PolarHBondContact O-N 2.93Å; E490-S493 VanDerWaalsContact O-N 3.15Å; E490-C494 PolarHBondContact O-N 2.73Å; E490-L568 HydrophobicContact CB-CD1 4.13Å; E490-L568 HydrophobicContact CB-CD2 3.88Å; E490-L568 HydrophobicContact CG-CD2 4.46Å
491	I	80.3	Confident	75.2	Confident	17 Å²	17	66 Å²	66	9%	0.087	36%	0.362	C	S	.	.	H	α-helix	trans	-60.1	-43.6	177.2	-70.9	167.2	0	0	0	110.6	L487 S493 C494 L495 L565 L568 I569 R572	L487-I491 WeakPolarHBondContact O-CB 3.48Å; L487-I491 VanDerWaalsContact O-CG1 3.29Å; L487-I491 WeakPolarHBondContact O-CG1 3.31Å; L487-I491 PolarHBondContact O-N 2.88Å; I491-S493 VanDerWaalsContact C-N 3.34Å; I491-S493 PolarHBondContact O-N 3.34Å; I491-C494 PolarHBondContact O-N 3.4Å; I491-L495 HydrophobicContact CG2-CD1 3.91Å; I491-L495 HydrophobicContact CG2-CG 4.47Å; I491-L495 WeakPolarHBondContact O-CB 3.42Å; I491-L495 VanDerWaalsContact O-CG 3.31Å; I491-L495 WeakPolarHBondContact O-CG 3.44Å; I491-L495 PolarHBondContact O-N 2.98Å; I491-L565 HydrophobicContact CG2-CD1 4.14Å; I491-L568 HydrophobicContact CD1-CB 4.33Å; I491-L568 HydrophobicContact CG1-CB 3.72Å; I491-L568 HydrophobicContact CG1-CD1 4.4Å; I491-I569 HydrophobicContact CD1-CG1 4.3Å; I491-R572 HydrophobicContact CD1-CB 4.04Å; I491-R572 HydrophobicContact CD1-CG 4.28Å
492	T	78.8	Confident	74	Confident	76 Å²	76	66.4 Å²	66.4	47%	0.466	37%	0.368	S	S	.	.	H	α-helix	trans	-63.6	-39.7	176.5	-55.7	0	0	0	0	111.7	D488 R489 E490 L495 N496	D488-T492 WeakPolarHBondContact O-CB 3.35Å; D488-T492 PolarHBondContact O-N 2.95Å; D488-T492 VanDerWaalsContact O-N 3.12Å; D488-T492 PolarHBondContact O-OG1 3.49Å; R489-T492 PolarHBondContact O-N 2.79Å; E490-T492 VanDerWaalsContact C-N 3.32Å; E490-T492 PolarHBondContact O-N 2.74Å; T492-L495 PolarHBondContact O-N 3.4Å; T492-N496 WeakPolarHBondContact O-CB 3.4Å; T492-N496 PolarHBondContact O-N 3.12Å; T492-N496 PolarHBondContact O-ND2 3.34Å
493	S	79.9	Confident	72.4	Confident	46 Å²	46	68.7 Å²	68.7	32%	0.322	38%	0.381	S	S	.	.	H	α-helix	trans	-62.2	-46.7	174.8	-174	0	0	0	0	112.1	R489 E490 I491 N496 K497	R489-S493 WeakPolarHBondContact O-CB 3.33Å; R489-S493 PolarHBondContact O-N 2.81Å; E490-S493 WeakPolarHBondContact O-CB 3.2Å; E490-S493 PolarHBondContact O-N 2.93Å; E490-S493 VanDerWaalsContact O-N 3.15Å; I491-S493 VanDerWaalsContact C-N 3.34Å; I491-S493 PolarHBondContact O-N 3.34Å; S493-N496 PolarHBondContact O-N 2.49Å; S493-K497 WeakPolarHBondContact O-CG 3.38Å; S493-K497 PolarHBondContact O-N 2.83Å
494	C	75.6	Confident	70.5	Confident	3 Å²	3	71.7 Å²	71.7	2%	0.02	39%	0.392	C	S	.	.	H	α-helix	trans	-62.5	-44.9	175.5	-84.3	0	0	0	0	112.6	E490 I491 N496 K497 M498 L565 L568	E490-C494 PolarHBondContact O-N 2.73Å; I491-C494 PolarHBondContact O-N 3.4Å; C494-N496 PolarHBondContact O-N 3.24Å; C494-K497 PolarHBondContact O-N 2.75Å; C494-M498 VanDerWaalsContact O-CG 3.29Å; C494-M498 WeakPolarHBondContact O-CG 3.38Å; C494-M498 PolarHBondContact O-N 2.77Å; C494-L565 HydrophobicContact CB-CD1 4.32Å; C494-L568 HydrophobicContact CB-CD1 4.41Å
495	L	74.5	Confident	68.7	Low	86 Å²	86	78.1 Å²	78.1	45%	0.45	43%	0.425	S	S	.	.	H	α-helix	trans	-62.4	-41.5	177.5	-71.5	170.2	0	0	0	112	I491 T492 M498 S499 L565	I491-L495 HydrophobicContact CG2-CD1 3.91Å; I491-L495 HydrophobicContact CG2-CG 4.47Å; I491-L495 WeakPolarHBondContact O-CB 3.42Å; I491-L495 VanDerWaalsContact O-CG 3.31Å; I491-L495 WeakPolarHBondContact O-CG 3.44Å; I491-L495 PolarHBondContact O-N 2.98Å; T492-L495 PolarHBondContact O-N 3.4Å; L495-M498 PolarHBondContact O-N 3.16Å; L495-S499 WeakPolarHBondContact O-CB 3.43Å; L495-S499 PolarHBondContact O-N 3.33Å; L495-L565 HydrophobicContact CD2-CD1 4.32Å; L495-L565 HydrophobicContact CD2-CD2 3.84Å; L495-L565 HydrophobicContact CG-CD1 4.29Å
496	N	74.4	Confident	66.6	Low	95 Å²	95	76.6 Å²	76.6	51%	0.508	43%	0.431	S	S	.	.	H	α-helix	trans	-64	-42.7	175.5	-71.6	-19.4	0	0	0	112.1	T492 S493 C494 S499 N500	T492-N496 WeakPolarHBondContact O-CB 3.4Å; T492-N496 PolarHBondContact O-N 3.12Å; T492-N496 PolarHBondContact O-ND2 3.34Å; S493-N496 PolarHBondContact O-N 2.49Å; C494-N496 PolarHBondContact O-N 3.24Å; N496-S499 PolarHBondContact O-N 3.05Å; N496-N500 PolarHBondContact O-N 2.82Å; N496-N500 VanDerWaalsContact O-N 3.14Å
497	K	69.4	Low	64.3	Low	64 Å²	64	74.8 Å²	74.8	28%	0.278	43%	0.426	S	S	.	.	H	α-helix	trans	-60.5	-45.5	174.2	-72.3	172.4	179.3	-176.5	0	111.8	S493 C494 S499 N500 G501 F504	S493-K497 WeakPolarHBondContact O-CG 3.38Å; S493-K497 PolarHBondContact O-N 2.83Å; C494-K497 PolarHBondContact O-N 2.75Å; K497-S499 VanDerWaalsContact C-N 3.29Å; K497-S499 PolarHBondContact O-N 3.24Å; K497-N500 PolarHBondContact O-N 2.9Å; K497-G501 PolarHBondContact O-N 3.2Å; K497-F504 HydrophobicContact CB-CD2 4.5Å; K497-F504 HydrophobicContact CB-CE2 4.38Å; K497-F504 HydrophobicContact CD-CD2 4.23Å; K497-F504 HydrophobicContact CD-CE2 3.68Å; K497-F504 HydrophobicContact CD-CZ 4.49Å
498	M	66.3	Low	62	Low	61 Å²	61	81.4 Å²	81.4	30%	0.3	46%	0.462	S	S	.	.	H	α-helix	trans	-63.1	-34.3	176.4	-69	170.7	76.8	0	0	112.4	C494 L495 N500 I560 T562 L565	C494-M498 VanDerWaalsContact O-CG 3.29Å; C494-M498 WeakPolarHBondContact O-CG 3.38Å; C494-M498 PolarHBondContact O-N 2.77Å; L495-M498 PolarHBondContact O-N 3.16Å; M498-N500 VanDerWaalsContact C-N 3.35Å; M498-I560 HydrophobicContact CE-CG2 3.84Å; M498-T562 HydrophobicContact CE-CG2 4.11Å; M498-L565 HydrophobicContact CE-CD2 4.22Å; M498-L565 HydrophobicContact SD-CB 4.41Å; M498-L565 HydrophobicContact SD-CD2 3.84Å
499	S	64.3	Low	60	Low	100 Å²	100	83.7 Å²	83.7	70%	0.699	47%	0.473	S	S	*	.	H	α-helix	trans	-70.9	-26.3	176.1	-169.9	0	0	0	0	113.9	L495 N496 K497	L495-S499 WeakPolarHBondContact O-CB 3.43Å; L495-S499 PolarHBondContact O-N 3.33Å; N496-S499 PolarHBondContact O-N 3.05Å; K497-S499 VanDerWaalsContact C-N 3.29Å; K497-S499 PolarHBondContact O-N 3.24Å
500	N	60.7	Low	57.5	Low	116 Å²	116	83 Å²	83	62%	0.62	48%	0.481	S	S	*	.	H	α-helix	trans	-88.6	-12.9	-178.2	-71.2	-5.6	0	0	0	113.4	N496 K497 M498 D502	N496-N500 PolarHBondContact O-N 2.82Å; N496-N500 VanDerWaalsContact O-N 3.14Å; K497-N500 PolarHBondContact O-N 2.9Å; M498-N500 VanDerWaalsContact C-N 3.35Å; N500-D502 VanDerWaalsContact C-N 3.27Å; N500-D502 PolarHBondContact O-N 3.15Å
501	G	56.9	Low	55.2	Low	61 Å²	61	90 Å²	90	63%	0.629	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	8.5	-179	0	0	0	0	0	115	K497	K497-G501 PolarHBondContact O-N 3.2Å
502	D	49.8	Very low	52.9	Low	108 Å²	108	96.7 Å²	96.7	58%	0.578	55%	0.547	S	S	*	.			trans	-63.6	134.2	178.4	-73.6	-50.3	0	0	0	111.8	N500 F504	N500-D502 VanDerWaalsContact C-N 3.27Å; N500-D502 PolarHBondContact O-N 3.15Å; D502-F504 PolarHBondContact O-N 3.28Å
503	S	46	Very low	50.5	Low	100 Å²	100	100 Å²	100	70%	0.699	56%	0.561	S	S	*	*			trans	-66.7	118.6	177.6	52.9	0	0	0	0	111.2	I505	S503-I505 PolarHBondContact O-N 3.31Å
504	F	38.9	Very low	48	Very low	95 Å²	95	103.9 Å²	103.9	42%	0.417	58%	0.583	S	S	.	*			trans	-74.9	86.4	-175	-147.9	-86.5	0	0	0	111.6	K497 D502 L507	K497-F504 HydrophobicContact CB-CD2 4.5Å; K497-F504 HydrophobicContact CB-CE2 4.38Å; K497-F504 HydrophobicContact CD-CD2 4.23Å; K497-F504 HydrophobicContact CD-CE2 3.68Å; K497-F504 HydrophobicContact CD-CZ 4.49Å; D502-F504 PolarHBondContact O-N 3.28Å; F504-L507 HydrophobicContact CE1-CB 4.25Å; F504-L507 HydrophobicContact CE1-CD1 4.01Å; F504-L507 HydrophobicContact CE1-CG 4.04Å; F504-L507 HydrophobicContact CZ-CD1 3.6Å; F504-L507 HydrophobicContact CZ-CG 3.99Å
505	I	42.3	Very low	45.8	Very low	156 Å²	156	110.3 Å²	110.3	80%	0.8	62%	0.617	S	S	*	*			trans	-121.1	126	169.1	-57.4	178.1	0	0	0	107.1	S503	S503-I505 PolarHBondContact O-N 3.31Å
506	G	33.5	Very low	43.7	Very low	58 Å²	58	116.3 Å²	116.3	60%	0.598	64%	0.64	S	S	*	*			trans	86.8	70.4	175.8	0	0	0	0	0	115.4
507	L	36	Very low	41.8	Very low	76 Å²	76	118.9 Å²	118.9	40%	0.398	65%	0.653	S	S	.	*			trans	-116.1	101.1	135.5	-76.1	-172.6	0	0	0	107.3	F504 L509	F504-L507 HydrophobicContact CE1-CB 4.25Å; F504-L507 HydrophobicContact CE1-CD1 4.01Å; F504-L507 HydrophobicContact CE1-CG 4.04Å; F504-L507 HydrophobicContact CZ-CD1 3.6Å; F504-L507 HydrophobicContact CZ-CG 3.99Å; L507-L509 PolarHBondContact O-N 2.8Å
508	N	33.3	Very low	40.1	Very low	143 Å²	143	121.2 Å²	121.2	77%	0.765	67%	0.669	S	S	*	*			trans	-73.3	117.5	165.8	-83.5	21.5	0	0	0	108.2
509	L	36.5	Very low	39	Very low	106 Å²	106	121.6 Å²	121.6	56%	0.555	68%	0.678	S	S	*	*			trans	-135	79.6	167.9	-96	163.2	0	0	0	106.7	L507 F511	L507-L509 PolarHBondContact O-N 2.8Å; L509-F511 PolarHBondContact O-N 3.46Å; L509-F511 VanDerWaalsContact O-N 3.15Å
510	D	29.5	Very low	37.9	Very low	143 Å²	143	122.8 Å²	122.8	77%	0.765	68%	0.676	S	S	*	*			trans	-63	111	174.8	-60.7	-56.6	0	0	0	109.2
511	F	32.1	Very low	37	Very low	181 Å²	181	122.9 Å²	122.9	79%	0.794	68%	0.675	S	S	*	*			trans	-145.4	137.3	164.4	-103.7	-78.7	0	0	0	110	L509	L509-F511 PolarHBondContact O-N 3.46Å; L509-F511 VanDerWaalsContact O-N 3.15Å
512	D	32.5	Very low	36.3	Very low	156 Å²	156	128.5 Å²	128.5	83%	0.834	68%	0.678	S	S	*	*			trans	-85.7	166.8	-160.8	-144.6	-21.8	0	0	0	114.1
513	I	27.7	Very low	36	Very low	146 Å²	146	127.5 Å²	127.5	75%	0.749	69%	0.685	S	S	*	*			trans	-88.6	128.9	-167.9	-57.6	165.6	0	0	0	111.2
514	T	28.1	Very low	35.5	Very low	127 Å²	127	126 Å²	126	78%	0.779	69%	0.685	S	S	*	*			trans	175.3	165.9	131.5	25.2	0	0	0	0	111
515	D	29.5	Very low	35.5	Very low	139 Å²	139	127.4 Å²	127.4	74%	0.743	70%	0.696	S	S	*	*			trans	53	97.9	173.6	-64.6	-9.1	0	0	0	117.8
516	F	30.8	Very low	34.9	Very low	212 Å²	212	123.3 Å²	123.3	93%	0.93	69%	0.692	S	S	*	*				-172.6	138.9	104.4	-95.1	-67.8	0	0	0	110.1
517	N	33.8	Very low	35.2	Very low	148 Å²	148	127.7 Å²	127.7	79%	0.791	70%	0.701	S	S	*	*			trans	-83.2	146	-169.1	-76.2	-48.6	0	0	0	114.3	S519	N517-S519 PolarHBondContact O-N 2.73Å
518	D	34.8	Very low	35.2	Very low	113 Å²	113	132.7 Å²	132.7	60%	0.604	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	30.4	-176.1	-166.9	38.7	0	0	0	114.6	R522	D518-R522 IonicContact OD2-NH1 3.42Å; D518-R522 PolarHBondContact OD2-NH1 2.81Å
519	S	43.1	Very low	35.2	Very low	69 Å²	69	132.6 Å²	132.6	48%	0.483	72%	0.722	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86	-45	-178.6	48.8	0	0	0	0	113.2	N517 I521	N517-S519 PolarHBondContact O-N 2.73Å; S519-I521 PolarHBondContact O-N 3.22Å
520	D	40.3	Very low	35.3	Very low	126 Å²	126	136.4 Å²	136.4	67%	0.674	74%	0.737	S	S	*	*	H	α-helix	trans	-83.8	-23.5	-157.5	-66.7	13.3	0	0	0	112.8	A523	D520-A523 PolarHBondContact O-N 2.89Å
521	I	42.9	Very low	35.3	Very low	117 Å²	117	136.7 Å²	136.7	60%	0.6	74%	0.738	S	S	*	*	H	α-helix	trans	-70.2	-32.1	-179.9	-63	176.2	0	0	0	111.6	S519	S519-I521 PolarHBondContact O-N 3.22Å
522	R	40.8	Very low	35.6	Very low	180 Å²	180	132.9 Å²	132.9	68%	0.679	73%	0.734	S	S	*	*	H	α-helix	trans	-69.9	-40.4	175.8	-84.7	-177.8	165.1	97.5	-6.1	112.3	D518 G524 L525	D518-R522 IonicContact OD2-NH1 3.42Å; D518-R522 PolarHBondContact OD2-NH1 2.81Å; R522-G524 VanDerWaalsContact C-N 3.31Å; R522-G524 PolarHBondContact O-N 2.84Å; R522-L525 PolarHBondContact O-N 2.67Å
523	A	42.8	Very low	35.7	Very low	87 Å²	87	132 Å²	132	72%	0.719	73%	0.729	S	S	*	*	H	α-helix	trans	-64.6	-32.4	-176.2	0	0	0	0	0	113.5	D520 L525	D520-A523 PolarHBondContact O-N 2.89Å; A523-L525 VanDerWaalsContact C-N 3.35Å; A523-L525 PolarHBondContact O-N 2.85Å
524	G	36.8	Very low	35.9	Very low	69 Å²	69	132.3 Å²	132.3	71%	0.711	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-12.9	-177.2	0	0	0	0	0	116.2	R522	R522-G524 VanDerWaalsContact C-N 3.31Å; R522-G524 PolarHBondContact O-N 2.84Å
525	L	38.7	Very low	36.2	Very low	124 Å²	124	131.8 Å²	131.8	65%	0.649	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	-4.2	-169.2	-70.7	174	0	0	0	115.4	R522 A523 L527	R522-L525 PolarHBondContact O-N 2.67Å; A523-L525 VanDerWaalsContact C-N 3.35Å; A523-L525 PolarHBondContact O-N 2.85Å; L525-L527 PolarHBondContact O-N 2.84Å; L525-L527 VanDerWaalsContact O-N 3.16Å
526	G	30.1	Very low	36.3	Very low	69 Å²	69	130.9 Å²	130.9	71%	0.711	73%	0.73	S	S	*	*			trans	65.2	19	168.5	0	0	0	0	0	115.9
527	L	39.9	Very low	36.4	Very low	151 Å²	151	131.7 Å²	131.7	79%	0.791	73%	0.729	S	S	*	*			trans	-79.9	125.2	171.5	-63.9	173.2	0	0	0	109	L525	L525-L527 PolarHBondContact O-N 2.84Å; L525-L527 VanDerWaalsContact O-N 3.16Å
528	Q	35	Very low	36.4	Very low	181 Å²	181	133.3 Å²	133.3	85%	0.846	73%	0.732	S	S	*	*			trans	-104.4	127.1	168.6	-66.9	-176.3	-60.4	0	0	108.3	E530	Q528-E530 PolarHBondContact O-N 2.98Å
529	D	34.4	Very low	36.2	Very low	141 Å²	141	132.6 Å²	132.6	75%	0.754	74%	0.736	S	S	*	*			trans	-79	113.7	172.1	-68.8	-54.9	0	0	0	109.6
530	E	36.9	Very low	35.9	Very low	186 Å²	186	137.5 Å²	137.5	87%	0.869	75%	0.751	S	S	*	*			trans	-102.6	98.8	165.4	-71	-106.3	133.6	0	0	107.8	Q528	Q528-E530 PolarHBondContact O-N 2.98Å
531	N	30.9	Very low	35.5	Very low	149 Å²	149	140.7 Å²	140.7	80%	0.797	76%	0.762	S	S	*	*			trans	-139.1	78.1	-178.1	-99.8	-39.9	0	0	0	111.3
532	S	37	Very low	35.2	Very low	101 Å²	101	142.8 Å²	142.8	71%	0.706	77%	0.774	S	S	*	*			trans	-170.4	140.9	169.1	52	0	0	0	0	107
533	D	34.6	Very low	35.1	Very low	136 Å²	136	139.2 Å²	139.2	73%	0.727	78%	0.777	S	S	*	*			cis	-161.4	149.7	3.3	-110.1	-30.7	0	0	0	108.9
534	L	33	Very low	35.1	Very low	154 Å²	154	139.3 Å²	139.3	81%	0.806	78%	0.777	S	S	*	*			trans	57.9	145.5	148.3	-57.6	169.7	0	0	0	118.9
535	T	33.4	Very low	35.2	Very low	116 Å²	116	141.9 Å²	141.9	71%	0.712	78%	0.782	S	S	*	*			cis	-145.3	152.1	6.2	49.6	0	0	0	0	110.5
536	P	33	Very low	35.2	Very low	120 Å²	120	142.1 Å²	142.1	78%	0.779	78%	0.779	S	S	*	*			trans	-86.7	162.3	165.8	36.3	-34	0	0	0	113
537	Y	32.9	Very low	35.7	Very low	229 Å²	229	147.5 Å²	147.5	90%	0.898	79%	0.786	S	S	*	*			trans	-147.5	143.7	163.3	-130.5	-88.6	0	0	0	110.6
538	E	32.3	Very low	35.6	Very low	181 Å²	181	148.1 Å²	148.1	85%	0.846	79%	0.79	S	S	*	*			trans	-97.5	178.4	-178.8	-43.3	172.4	120.4	0	0	109.1
539	S	32.1	Very low	35.5	Very low	99 Å²	99	148.9 Å²	148.9	69%	0.692	79%	0.785	S	S	*	*			cis	-160.3	-155.4	9.3	54.5	0	0	0	0	109.6
540	E	35.3	Very low	35.7	Very low	172 Å²	172	150.2 Å²	150.2	80%	0.804	79%	0.791	S	S	*	*			trans	71.3	109.6	173.4	-53.9	180	176.6	0	0	115.4
541	Q	31.9	Very low	35.6	Very low	193 Å²	193	147.2 Å²	147.2	90%	0.902	79%	0.788	S	S	*	*			cis	75.4	103.5	39.7	-61.6	-166.9	-27.8	0	0	116.5
542	D	37.3	Very low	35.8	Very low	160 Å²	160	150.9 Å²	150.9	86%	0.856	79%	0.791	S	S	*	*			trans	-165.4	-173.4	131.8	-140	-30.1	0	0	0	113.8
543	S	38.4	Very low	35.7	Very low	106 Å²	106	151.5 Å²	151.5	74%	0.741	79%	0.793	S	S	*	*			trans	-94.6	161.3	-150.3	-62.6	0	0	0	0	117.6
544	A	42.4	Very low	35.7	Very low	88 Å²	88	154.6 Å²	154.6	73%	0.727	80%	0.8	S	S	*	*			cis	-152.5	-89.1	-16.2	0	0	0	0	0	115.5
545	P	40.1	Very low	35.8	Very low	123 Å²	123	154.5 Å²	154.5	80%	0.799	80%	0.799	S	S	*	*			trans	-118.1	141.7	-132.8	34.8	-19.6	0	0	0	119.8
546	E	37.8	Very low	35.7	Very low	129 Å²	129	156.6 Å²	156.6	60%	0.603	81%	0.806	S	S	*	*			trans	-17.3	133.9	157	-179.7	169.2	-135.7	0	0	121.6	R549	E546-R549 IonicContact OE1-CZ 3.81Å; E546-R549 IonicContact OE1-NE 2.78Å; E546-R549 PolarHBondContact OE1-NE 2.86Å; E546-R549 IonicContact OE1-NH2 3.27Å; E546-R549 PolarHBondContact OE1-NH2 3.05Å; E546-R549 IonicContact OE2-NH2 2.7Å; E546-R549 PolarHBondContact OE2-NH2 3.03Å
547	Q	40.5	Very low	35.7	Very low	182 Å²	182	158.6 Å²	158.6	85%	0.85	81%	0.81	S	S	*	*			trans	-155.4	168.2	136.5	-114.2	168.5	25.9	0	0	111.9
548	D	38.1	Very low	36.1	Very low	165 Å²	165	156.1 Å²	156.1	88%	0.882	80%	0.804	S	S	*	*			trans	57.5	90.1	-177.3	-72	-4.1	0	0	0	118.3
549	R	32.9	Very low	36.7	Very low	197 Å²	197	155.7 Å²	155.7	74%	0.743	81%	0.805	S	S	*	*			trans	-93.6	137.3	169	-58.6	178.9	-177.3	-179.3	2.7	111.6	E546	E546-R549 IonicContact OE1-CZ 3.81Å; E546-R549 IonicContact OE1-NE 2.78Å; E546-R549 PolarHBondContact OE1-NE 2.86Å; E546-R549 IonicContact OE1-NH2 3.27Å; E546-R549 PolarHBondContact OE1-NH2 3.05Å; E546-R549 IonicContact OE2-NH2 2.7Å; E546-R549 PolarHBondContact OE2-NH2 3.03Å
550	L	38.5	Very low	37.8	Very low	168 Å²	168	156 Å²	156	88%	0.88	80%	0.798	S	S	*	*			trans	-127.1	130.8	147.9	-79.2	176.3	0	0	0	109.1
551	P	36.4	Very low	39.1	Very low	123 Å²	123	152.4 Å²	152.4	80%	0.799	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-74.6	135.3	-173.6	-13.3	28.8	0	0	0	112.1
552	R	33.9	Very low	41.1	Very low	226 Å²	226	146.6 Å²	146.6	85%	0.853	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-83	132.9	158.6	-58.7	-174.7	-168.5	-146.3	3.2	108.2	F554	R552-F554 PolarHBondContact O-N 3.36Å
553	P	35.5	Very low	42.9	Very low	115 Å²	115	143.5 Å²	143.5	75%	0.747	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-67.5	119.6	170.1	27.9	-32.2	0	0	0	109.2	L555	P553-L555 PolarHBondContact O-N 3.11Å
554	F	34.8	Very low	44.6	Very low	201 Å²	201	140.9 Å²	140.9	88%	0.882	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-68.2	122.9	159.8	-92.9	-102.2	0	0	0	107.6	R552	R552-F554 PolarHBondContact O-N 3.36Å
555	L	33.8	Very low	46.3	Very low	151 Å²	151	137.8 Å²	137.8	79%	0.791	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-86.4	117	169.7	-76.5	168.4	0	0	0	108.3	P553 L557	P553-L555 PolarHBondContact O-N 3.11Å; L555-L557 PolarHBondContact O-N 2.85Å
556	D	32.2	Very low	48	Very low	160 Å²	160	139.4 Å²	139.4	86%	0.856	69%	0.687	S	S	*	*			trans	-63.4	97.5	170.2	-83	-36.6	0	0	0	109.9	K558	D556-K558 PolarHBondContact O-N 2.98Å
557	L	31.9	Very low	50.1	Low	163 Å²	163	136.1 Å²	136.1	85%	0.853	68%	0.682	S	S	*	*			trans	-68.8	82.6	168.4	-83.2	153.8	0	0	0	109	L555 I559	L555-L557 PolarHBondContact O-N 2.85Å; L557-I559 PolarHBondContact O-N 3.49Å
558	K	41.7	Very low	52.1	Low	177 Å²	177	128.3 Å²	128.3	77%	0.77	65%	0.646	S	S	*	*			trans	-51.7	111.1	165.6	-80	-175.7	174.5	-179.8	0	108.7	D556 I560	D556-K558 PolarHBondContact O-N 2.98Å; K558-I560 PolarHBondContact O-N 2.78Å; K558-I560 VanDerWaalsContact O-N 3.08Å
559	I	44.6	Very low	54	Low	171 Å²	171	123.9 Å²	123.9	88%	0.877	62%	0.622	S	S	*	*			trans	-66.7	108.9	173.7	-60.9	172.6	0	0	0	107.1	L557	L557-I559 PolarHBondContact O-N 3.49Å
560	I	55.7	Low	56.3	Low	106 Å²	106	119.1 Å²	119.1	54%	0.544	61%	0.611	S	S	.	*			trans	-79.5	120.1	175.7	-54.8	176.6	0	0	0	107.5	M498 K558 T562	M498-I560 HydrophobicContact CE-CG2 3.84Å; K558-I560 PolarHBondContact O-N 2.78Å; K558-I560 VanDerWaalsContact O-N 3.08Å; I560-T562 PolarHBondContact O-N 2.7Å
561	D	63.2	Low	58.4	Low	96 Å²	96	117.7 Å²	117.7	51%	0.513	59%	0.594	S	S	.	*			trans	-66.9	119.6	171.4	-175.5	14	0	0	0	109.9	N563	D561-N563 VanDerWaalsContact OD1-CB 3.28Å; D561-N563 WeakPolarHBondContact OD1-CB 3.38Å; D561-N563 VanDerWaalsContact OD1-CG 3.31Å; D561-N563 PolarHBondContact OD1-N 2.93Å; D561-N563 PolarHBondContact OD1-ND2 3.47Å
562	T	73.8	Confident	60.6	Low	71 Å²	71	115.6 Å²	115.6	44%	0.436	57%	0.57	S	S	.	*			trans	-101.7	-4.1	179.3	53.3	0	0	0	0	112.7	M498 I560 L565 R566	M498-T562 HydrophobicContact CE-CG2 4.11Å; I560-T562 PolarHBondContact O-N 2.7Å; T562-L565 PolarHBondContact O-N 2.96Å; T562-R566 WeakPolarHBondContact O-CB 3.46Å; T562-R566 PolarHBondContact O-N 2.85Å
563	N	74.4	Confident	62.7	Low	95 Å²	95	110.6 Å²	110.6	51%	0.508	56%	0.56	S	S	.	*	H	α-helix	trans	-59.9	-40.7	-178.1	-65.6	-57.5	0	0	0	113.7	D561 L565 R566 A567	D561-N563 VanDerWaalsContact OD1-CB 3.28Å; D561-N563 WeakPolarHBondContact OD1-CB 3.38Å; D561-N563 VanDerWaalsContact OD1-CG 3.31Å; D561-N563 PolarHBondContact OD1-N 2.93Å; D561-N563 PolarHBondContact OD1-ND2 3.47Å; N563-L565 PolarHBondContact O-N 2.83Å; N563-R566 PolarHBondContact O-N 2.79Å; N563-A567 WeakPolarHBondContact O-CB 2.97Å; N563-A567 PolarHBondContact O-N 3.47Å
564	P	75.5	Confident	64.8	Low	51 Å²	51	108.9 Å²	108.9	33%	0.331	54%	0.542	S	S	.	.	H	α-helix	trans	-61.1	-44	176.1	-24.4	34.8	0	0	0	112.8	R566 A567 L568	P564-R566 VanDerWaalsContact C-N 3.35Å; P564-R566 PolarHBondContact O-N 2.89Å; P564-A567 PolarHBondContact O-N 3.49Å; P564-L568 WeakPolarHBondContact O-CG 3.32Å; P564-L568 PolarHBondContact O-N 2.83Å; P564-L568 VanDerWaalsContact O-N 3.09Å
565	L	76.9	Confident	67.1	Low	24 Å²	24	102.6 Å²	102.6	13%	0.126	51%	0.512	C	S	.	.	H	α-helix	trans	-65.1	-39.5	176	179.8	63.8	0	0	0	111.3	I491 C494 L495 M498 T562 N563 L568 I569	I491-L565 HydrophobicContact CG2-CD1 4.14Å; C494-L565 HydrophobicContact CB-CD1 4.32Å; L495-L565 HydrophobicContact CD2-CD1 4.32Å; L495-L565 HydrophobicContact CD2-CD2 3.84Å; L495-L565 HydrophobicContact CG-CD1 4.29Å; M498-L565 HydrophobicContact CE-CD2 4.22Å; M498-L565 HydrophobicContact SD-CB 4.41Å; M498-L565 HydrophobicContact SD-CD2 3.84Å; T562-L565 PolarHBondContact O-N 2.96Å; N563-L565 PolarHBondContact O-N 2.83Å; L565-L568 PolarHBondContact O-N 2.82Å; L565-I569 HydrophobicContact CD1-CD1 4.11Å; L565-I569 HydrophobicContact CD1-CG1 4.38Å; L565-I569 HydrophobicContact CG-CD1 3.87Å; L565-I569 WeakPolarHBondContact O-CB 3.46Å; L565-I569 VanDerWaalsContact O-CG1 3.28Å; L565-I569 WeakPolarHBondContact O-CG1 3.35Å; L565-I569 PolarHBondContact O-N 2.77Å
566	R	76	Confident	69.1	Low	156 Å²	156	101 Å²	101	59%	0.589	50%	0.499	S	S	*	.	H	α-helix	trans	-64.7	-40.2	178	-158.3	175	-168.7	176.5	1.8	111.8	T562 N563 P564 I569 N570	T562-R566 WeakPolarHBondContact O-CB 3.46Å; T562-R566 PolarHBondContact O-N 2.85Å; N563-R566 PolarHBondContact O-N 2.79Å; P564-R566 VanDerWaalsContact C-N 3.35Å; P564-R566 PolarHBondContact O-N 2.89Å; R566-I569 PolarHBondContact O-N 2.89Å; R566-N570 WeakPolarHBondContact O-CB 3.46Å; R566-N570 PolarHBondContact O-N 3.04Å; R566-N570 PolarHBondContact O-OD1 3.07Å
567	A	81.8	Confident	71.4	Confident	60 Å²	60	98.4 Å²	98.4	50%	0.496	48%	0.48	S	S	.	.	H	α-helix	trans	-63.6	-46.3	174.3	0	0	0	0	0	112	N563 P564 I569 N570 R571	N563-A567 WeakPolarHBondContact O-CB 2.97Å; N563-A567 PolarHBondContact O-N 3.47Å; P564-A567 PolarHBondContact O-N 3.49Å; A567-I569 PolarHBondContact O-N 3.4Å; A567-N570 PolarHBondContact O-N 3Å; A567-R571 WeakPolarHBondContact O-CB 3.37Å; A567-R571 PolarHBondContact O-N 2.7Å
568	L	82.3	Confident	73.6	Confident	18 Å²	18	93.6 Å²	93.6	9%	0.094	45%	0.453	C	S	.	.	H	α-helix	trans	-60.3	-45	175.3	-74	170.6	0	0	0	112.4	L487 E490 I491 C494 P564 L565 N570 R571 R572	L487-L568 HydrophobicContact CD2-CD2 4.03Å; E490-L568 HydrophobicContact CB-CD1 4.13Å; E490-L568 HydrophobicContact CB-CD2 3.88Å; E490-L568 HydrophobicContact CG-CD2 4.46Å; I491-L568 HydrophobicContact CD1-CB 4.33Å; I491-L568 HydrophobicContact CG1-CB 3.72Å; I491-L568 HydrophobicContact CG1-CD1 4.4Å; C494-L568 HydrophobicContact CB-CD1 4.41Å; P564-L568 WeakPolarHBondContact O-CG 3.32Å; P564-L568 PolarHBondContact O-N 2.83Å; P564-L568 VanDerWaalsContact O-N 3.09Å; L565-L568 PolarHBondContact O-N 2.82Å; L568-N570 PolarHBondContact O-N 2.78Å; L568-R571 PolarHBondContact O-N 3.46Å; L568-R572 WeakPolarHBondContact O-CB 3.31Å; L568-R572 PolarHBondContact O-N 3.39Å
569	I	77.5	Confident	75.1	Confident	73 Å²	73	85.7 Å²	85.7	37%	0.374	42%	0.42	S	S	.	.	H	α-helix	trans	-61.2	-44.6	177.1	-71.4	168.4	0	0	0	111	I491 L565 R566 A567 R572 L573	I491-I569 HydrophobicContact CD1-CG1 4.3Å; L565-I569 HydrophobicContact CD1-CD1 4.11Å; L565-I569 HydrophobicContact CD1-CG1 4.38Å; L565-I569 HydrophobicContact CG-CD1 3.87Å; L565-I569 WeakPolarHBondContact O-CB 3.46Å; L565-I569 VanDerWaalsContact O-CG1 3.28Å; L565-I569 WeakPolarHBondContact O-CG1 3.35Å; L565-I569 PolarHBondContact O-N 2.77Å; R566-I569 PolarHBondContact O-N 2.89Å; A567-I569 PolarHBondContact O-N 3.4Å; I569-R572 PolarHBondContact O-N 3.07Å; I569-L573 PolarHBondContact O-N 2.99Å
570	N	81.2	Confident	76.4	Confident	97 Å²	97	84.7 Å²	84.7	52%	0.519	41%	0.407	S	S	.	.	H	α-helix	trans	-62.8	-44.9	177.3	-72	-6.9	0	0	0	111.7	R566 A567 L568 R572 L573 E574	R566-N570 WeakPolarHBondContact O-CB 3.46Å; R566-N570 PolarHBondContact O-N 3.04Å; R566-N570 PolarHBondContact O-OD1 3.07Å; A567-N570 PolarHBondContact O-N 3Å; L568-N570 PolarHBondContact O-N 2.78Å; N570-R572 VanDerWaalsContact C-N 3.34Å; N570-R572 PolarHBondContact O-N 3.03Å; N570-L573 WeakPolarHBondContact O-CB 3.5Å; N570-L573 PolarHBondContact O-N 3.19Å; N570-L573 VanDerWaalsContact O-N 3.11Å; N570-E574 PolarHBondContact O-N 2.99Å
571	R	82.4	Confident	77.3	Confident	137 Å²	137	83.3 Å²	83.3	52%	0.517	40%	0.4	S	S	.	.	H	α-helix	trans	-63	-38.9	178	-168.1	172.7	-179.2	175.7	3.3	112.2	L487 A567 L568 R575	L487-R571 HydrophobicContact CD1-CG 4.13Å; L487-R571 HydrophobicContact CD2-CB 4.36Å; L487-R571 HydrophobicContact CD2-CG 4.16Å; A567-R571 WeakPolarHBondContact O-CB 3.37Å; A567-R571 PolarHBondContact O-N 2.7Å; L568-R571 PolarHBondContact O-N 3.46Å; R571-R575 PolarHBondContact O-N 3.43Å
572	R	83.2	Confident	77.7	Confident	80 Å²	80	80.1 Å²	80.1	30%	0.302	39%	0.386	S	S	.	.	H	α-helix	trans	-63	-40.1	171.7	-170.1	-152.4	-169.5	-171.5	10.6	111.9	L484 L487 D488 I491 L568 I569 N570 K576	L484-R572 HydrophobicContact CD2-CG 4.11Å; L487-R572 HydrophobicContact CB-CB 4.4Å; L487-R572 HydrophobicContact CD1-CB 4.44Å; D488-R572 IonicContact OD1-CZ 3.61Å; D488-R572 IonicContact OD1-NE 2.64Å; D488-R572 PolarHBondContact OD1-NE 3.02Å; D488-R572 IonicContact OD1-NH2 3.69Å; D488-R572 PolarHBondContact OD1-NH2 3.18Å; D488-R572 IonicContact OD2-CZ 3.05Å; D488-R572 IonicContact OD2-NE 3.79Å; D488-R572 IonicContact OD2-NH2 3.16Å; D488-R572 PolarHBondContact OD2-NH2 3.26Å; I491-R572 HydrophobicContact CD1-CB 4.04Å; I491-R572 HydrophobicContact CD1-CG 4.28Å; L568-R572 WeakPolarHBondContact O-CB 3.31Å; L568-R572 PolarHBondContact O-N 3.39Å; I569-R572 PolarHBondContact O-N 3.07Å; N570-R572 VanDerWaalsContact C-N 3.34Å; N570-R572 PolarHBondContact O-N 3.03Å; R572-K576 WeakPolarHBondContact O-CB 3.2Å; R572-K576 PolarHBondContact O-N 3.42Å
573	L	77.6	Confident	77.4	Confident	121 Å²	121	81 Å²	81	63%	0.634	39%	0.387	S	S	*	.	H	α-helix	trans	-65.2	-44.1	179.9	-150.3	112.7	0	0	0	111.3	I569 N570 K576 K577	I569-L573 PolarHBondContact O-N 2.99Å; N570-L573 WeakPolarHBondContact O-CB 3.5Å; N570-L573 PolarHBondContact O-N 3.19Å; N570-L573 VanDerWaalsContact O-N 3.11Å; L573-K576 PolarHBondContact O-N 2.7Å; L573-K577 PolarHBondContact O-N 3.28Å
574	E	81.1	Confident	77.3	Confident	78 Å²	78	81.7 Å²	81.7	36%	0.364	39%	0.388	S	S	.	.	H	α-helix	trans	-69.9	-39.9	178	-170.2	56.4	-146.5	0	0	112.2	N570 K576 K577 Q578	N570-E574 PolarHBondContact O-N 2.99Å; E574-K576 VanDerWaalsContact C-N 3.31Å; E574-K576 PolarHBondContact O-N 2.83Å; E574-K577 WeakPolarHBondContact O-CB 3.42Å; E574-K577 PolarHBondContact O-N 3.27Å; E574-K577 IonicContact OE1-NZ 2.64Å; E574-K577 PolarHBondContact OE1-NZ 3.42Å; E574-K577 IonicContact OE2-NZ 2.82Å; E574-K577 PolarHBondContact OE2-NZ 3.38Å; E574-Q578 WeakPolarHBondContact O-CG 3.23Å; E574-Q578 PolarHBondContact O-N 3.42Å
575	R	81.5	Confident	77.2	Confident	70 Å²	70	84.3 Å²	84.3	26%	0.264	40%	0.403	S	S	.	.	H	α-helix	trans	-62.4	-34.9	170.3	-79.1	-61.2	-161.8	-152.2	8.1	112.6	D483 L484 L487 R571 Q578 A579	D483-R575 HydrophobicContact CB-CG 4.38Å; D483-R575 IonicContact OD2-CZ 3.16Å; D483-R575 IonicContact OD2-NE 2.82Å; D483-R575 PolarHBondContact OD2-NE 2.82Å; D483-R575 IonicContact OD2-NH2 2.68Å; D483-R575 PolarHBondContact OD2-NH2 3.11Å; L484-R575 HydrophobicContact CD2-CB 3.63Å; L484-R575 HydrophobicContact CG-CB 4.01Å; L487-R575 HydrophobicContact CD1-CB 4.35Å; L487-R575 HydrophobicContact CD1-CG 4.05Å; R571-R575 PolarHBondContact O-N 3.43Å; R575-Q578 PolarHBondContact O-N 2.8Å; R575-A579 WeakPolarHBondContact O-CB 3.35Å; R575-A579 PolarHBondContact O-N 2.6Å
576	K	76.6	Confident	76.9	Confident	118 Å²	118	85 Å²	85	51%	0.513	41%	0.406	S	S	.	.	H	α-helix	trans	-67.1	-36.6	172.8	-95.2	-166.8	173.7	-176	0	112.9	L484 R572 L573 E574 A579 Y580	L484-K576 HydrophobicContact CD1-CG 4.14Å; L484-K576 HydrophobicContact CD2-CG 3.83Å; R572-K576 WeakPolarHBondContact O-CB 3.2Å; R572-K576 PolarHBondContact O-N 3.42Å; L573-K576 PolarHBondContact O-N 2.7Å; E574-K576 VanDerWaalsContact C-N 3.31Å; E574-K576 PolarHBondContact O-N 2.83Å; K576-A579 PolarHBondContact O-N 3.13Å; K576-Y580 PolarHBondContact O-N 3.16Å
577	K	79.8	Confident	76.6	Confident	105 Å²	105	82.7 Å²	82.7	46%	0.457	40%	0.401	S	S	.	.	H	α-helix	trans	-64.2	-48.6	173.9	171.8	166.6	150.2	-100.9	0	110.8	L573 E574 A579 Y580 D581	L573-K577 PolarHBondContact O-N 3.28Å; E574-K577 WeakPolarHBondContact O-CB 3.42Å; E574-K577 PolarHBondContact O-N 3.27Å; E574-K577 IonicContact OE1-NZ 2.64Å; E574-K577 PolarHBondContact OE1-NZ 3.42Å; E574-K577 IonicContact OE2-NZ 2.82Å; E574-K577 PolarHBondContact OE2-NZ 3.38Å; K577-A579 VanDerWaalsContact C-N 3.33Å; K577-A579 PolarHBondContact O-N 2.85Å; K577-Y580 WeakPolarHBondContact O-CB 3.42Å; K577-Y580 PolarHBondContact O-N 3Å; K577-Y580 VanDerWaalsContact O-N 3.07Å; K577-D581 VanDerWaalsContact O-CG 3.25Å; K577-D581 PolarHBondContact O-N 2.8Å
578	Q	79	Confident	76.1	Confident	62 Å²	62	83.7 Å²	83.7	29%	0.29	40%	0.402	S	S	.	.	H	α-helix	trans	-57.8	-42.5	173.1	-68.3	173	3.4	0	0	112.6	I480 E574 R575 Y580 D581 S582	I480-Q578 HydrophobicContact CD1-CB 4.3Å; E574-Q578 WeakPolarHBondContact O-CG 3.23Å; E574-Q578 PolarHBondContact O-N 3.42Å; R575-Q578 PolarHBondContact O-N 2.8Å; Q578-Y580 VanDerWaalsContact C-N 3.32Å; Q578-Y580 PolarHBondContact O-N 2.82Å; Q578-D581 PolarHBondContact O-N 2.83Å; Q578-S582 WeakPolarHBondContact O-CB 3.3Å; Q578-S582 PolarHBondContact O-N 3.39Å; Q578-S582 PolarHBondContact O-OG 2.73Å
579	A	73.9	Confident	75.3	Confident	10 Å²	10	86.6 Å²	86.6	8%	0.083	42%	0.424	C	S	.	.	H	α-helix	trans	-60.7	-39.5	175	0	0	0	0	0	112.9	I480 L484 R575 K576 K577 L583	I480-A579 HydrophobicContact CG2-CB 3.61Å; L484-A579 HydrophobicContact CD1-CB 4.1Å; R575-A579 WeakPolarHBondContact O-CB 3.35Å; R575-A579 PolarHBondContact O-N 2.6Å; K576-A579 PolarHBondContact O-N 3.13Å; K577-A579 VanDerWaalsContact C-N 3.33Å; K577-A579 PolarHBondContact O-N 2.85Å; A579-L583 WeakPolarHBondContact O-CB 3.44Å; A579-L583 WeakPolarHBondContact O-CG 3.36Å; A579-L583 PolarHBondContact O-N 2.73Å
580	Y	71.9	Confident	74.6	Confident	150 Å²	150	87.2 Å²	87.2	59%	0.588	43%	0.428	S	S	*	.	H	α-helix	trans	-66.9	-47.3	176.1	179.8	-96.4	0	0	0	111.4	K576 K577 Q578 S582 L583 Q584	K576-Y580 PolarHBondContact O-N 3.16Å; K577-Y580 WeakPolarHBondContact O-CB 3.42Å; K577-Y580 PolarHBondContact O-N 3Å; K577-Y580 VanDerWaalsContact O-N 3.07Å; Q578-Y580 VanDerWaalsContact C-N 3.32Å; Q578-Y580 PolarHBondContact O-N 2.82Å; Y580-S582 PolarHBondContact O-N 2.61Å; Y580-L583 PolarHBondContact O-N 2.77Å; Y580-Q584 WeakPolarHBondContact O-CB 3.41Å; Y580-Q584 PolarHBondContact O-N 2.73Å
581	D	74.3	Confident	73.9	Confident	77 Å²	77	87.4 Å²	87.4	41%	0.412	43%	0.425	S	S	.	.	H	α-helix	trans	-61.9	-45	179.8	-62.4	-28.1	0	0	0	111	K577 Q578 Q584 T585	K577-D581 VanDerWaalsContact O-CG 3.25Å; K577-D581 PolarHBondContact O-N 2.8Å; Q578-D581 PolarHBondContact O-N 2.83Å; D581-Q584 WeakPolarHBondContact O-CB 3.5Å; D581-Q584 PolarHBondContact O-N 3.17Å; D581-Q584 VanDerWaalsContact O-N 3.15Å; D581-T585 PolarHBondContact O-N 3.46Å; D581-T585 PolarHBondContact O-OG1 2.94Å
582	S	71	Confident	73.2	Confident	29 Å²	29	83.6 Å²	83.6	20%	0.203	42%	0.423	C	S	.	.	H	α-helix	trans	-62.9	-41.6	174.9	-64	0	0	0	0	113.1	Q578 Y580 Q584 T585 L586	Q578-S582 WeakPolarHBondContact O-CB 3.3Å; Q578-S582 PolarHBondContact O-N 3.39Å; Q578-S582 PolarHBondContact O-OG 2.73Å; Y580-S582 PolarHBondContact O-N 2.61Å; S582-Q584 VanDerWaalsContact C-N 3.29Å; S582-Q584 PolarHBondContact O-N 3.35Å; S582-T585 WeakPolarHBondContact CA-OG1 3.49Å; S582-T585 PolarHBondContact O-N 3.08Å; S582-T585 PolarHBondContact O-OG1 2.75Å; S582-L586 PolarHBondContact O-N 2.8Å; S582-L586 VanDerWaalsContact O-N 3.14Å
583	L	68.2	Low	72.4	Confident	89 Å²	89	82.2 Å²	82.2	47%	0.466	42%	0.422	S	S	.	.	H	α-helix	trans	-64.5	-35.1	172.9	-81.6	169.3	0	0	0	111.9	F481 A579 Y580 L586 F587	F481-L583 HydrophobicContact CZ-CD1 4.29Å; A579-L583 WeakPolarHBondContact O-CB 3.44Å; A579-L583 WeakPolarHBondContact O-CG 3.36Å; A579-L583 PolarHBondContact O-N 2.73Å; Y580-L583 PolarHBondContact O-N 2.77Å; L583-L586 PolarHBondContact O-N 3.11Å; L583-F587 PolarHBondContact O-N 2.95Å
584	Q	71.8	Confident	71.7	Confident	111 Å²	111	83 Å²	83	52%	0.519	42%	0.42	S	S	.	.	H	α-helix	trans	-70.3	-30.9	178.4	-166.6	167.7	4.4	0	0	112.1	Y580 D581 S582 P588	Y580-Q584 WeakPolarHBondContact O-CB 3.41Å; Y580-Q584 PolarHBondContact O-N 2.73Å; D581-Q584 WeakPolarHBondContact O-CB 3.5Å; D581-Q584 PolarHBondContact O-N 3.17Å; D581-Q584 VanDerWaalsContact O-N 3.15Å; S582-Q584 VanDerWaalsContact C-N 3.29Å; S582-Q584 PolarHBondContact O-N 3.35Å; Q584-P588 WeakPolarHBondContact O-CD 3.43Å
585	T	73.9	Confident	71	Confident	106 Å²	106	83.3 Å²	83.3	65%	0.65	42%	0.423	S	S	*	.	H	α-helix	trans	-72.3	-29.7	168.5	40.5	0	0	0	0	114.2	D581 S582 P588	D581-T585 PolarHBondContact O-N 3.46Å; D581-T585 PolarHBondContact O-OG1 2.94Å; S582-T585 WeakPolarHBondContact CA-OG1 3.49Å; S582-T585 PolarHBondContact O-N 3.08Å; S582-T585 PolarHBondContact O-OG1 2.75Å; T585-P588 WeakPolarHBondContact O-CD 3.39Å
586	L	70	Confident	70.2	Confident	37 Å²	37	85.9 Å²	85.9	19%	0.194	44%	0.438	C	S	.	.	H	α-helix	trans	-78.3	-22.7	174.8	-72.1	169.4	0	0	0	113.2	S582 L583 S589 L590	S582-L586 PolarHBondContact O-N 2.8Å; S582-L586 VanDerWaalsContact O-N 3.14Å; L583-L586 PolarHBondContact O-N 3.11Å; L586-S589 PolarHBondContact O-N 2.96Å; L586-L590 PolarHBondContact O-N 2.94Å
587	F	69.5	Low	69.3	Low	109 Å²	109	85 Å²	85	48%	0.478	44%	0.439	S	S	.	.	H	α-helix	trans	-57.3	-42.5	-174.1	-159.4	-87.2	0	0	0	114.8	L583 S589 L590 Q591 W628	L583-F587 PolarHBondContact O-N 2.95Å; F587-S589 PolarHBondContact O-N 2.88Å; F587-L590 PolarHBondContact O-N 3.34Å; F587-Q591 VanDerWaalsContact O-CB 3.27Å; F587-Q591 WeakPolarHBondContact O-CB 3.35Å; F587-Q591 PolarHBondContact O-N 3.06Å; F587-W628 HydrophobicContact CZ-CH2 4.36Å; F587-W628 HydrophobicContact CZ-CZ2 4.2Å
588	P	71.2	Confident	68.2	Low	80 Å²	80	83.9 Å²	83.9	52%	0.519	44%	0.437	S	S	.	.	H	α-helix	trans	-63.8	-39	176.8	-21.6	34.5	0	0	0	112.8	Q584 T585 Q591 A592	Q584-P588 WeakPolarHBondContact O-CD 3.43Å; T585-P588 WeakPolarHBondContact O-CD 3.39Å; P588-Q591 PolarHBondContact O-N 2.83Å; P588-A592 WeakPolarHBondContact O-CB 3.41Å; P588-A592 PolarHBondContact O-N 2.92Å
589	S	64.8	Low	67.5	Low	79 Å²	79	86.4 Å²	86.4	55%	0.552	45%	0.453	S	S	*	.	H	α-helix	trans	-67.7	-45	179	-53.6	0	0	0	0	111.4	L586 F587 Q591 A592 L593	L586-S589 PolarHBondContact O-N 2.96Å; F587-S589 PolarHBondContact O-N 2.88Å; S589-Q591 VanDerWaalsContact C-N 3.34Å; S589-Q591 PolarHBondContact O-N 2.8Å; S589-A592 PolarHBondContact O-N 2.87Å; S589-L593 WeakPolarHBondContact O-CB 3.38Å; S589-L593 PolarHBondContact O-N 2.55Å
590	L	63.6	Low	66.5	Low	87 Å²	87	91.2 Å²	91.2	46%	0.455	48%	0.477	S	S	.	.	H	α-helix	trans	-61.8	-40.9	172.2	-84.4	165.4	0	0	0	112	L586 F587 F594	L586-L590 PolarHBondContact O-N 2.94Å; F587-L590 PolarHBondContact O-N 3.34Å; L590-F594 VanDerWaalsContact O-CB 3.28Å; L590-F594 WeakPolarHBondContact O-CB 3.24Å; L590-F594 PolarHBondContact O-N 3.45Å
591	Q	67	Low	65.4	Low	100 Å²	100	91.9 Å²	91.9	47%	0.467	49%	0.486	S	S	.	.	H	α-helix	trans	-64.5	-40.7	176.6	-176.1	177.7	-15.8	0	0	111.9	F587 P588 S589 I595	F587-Q591 VanDerWaalsContact O-CB 3.27Å; F587-Q591 WeakPolarHBondContact O-CB 3.35Å; F587-Q591 PolarHBondContact O-N 3.06Å; P588-Q591 PolarHBondContact O-N 2.83Å; S589-Q591 VanDerWaalsContact C-N 3.34Å; S589-Q591 PolarHBondContact O-N 2.8Å; Q591-I595 HydrophobicContact CG-CD1 4.08Å; Q591-I595 WeakPolarHBondContact O-CD1 3.44Å; Q591-I595 VanDerWaalsContact O-CG1 3.24Å; Q591-I595 WeakPolarHBondContact O-CG1 3.49Å; Q591-I595 PolarHBondContact O-N 3.04Å
592	A	67.9	Low	64	Low	58 Å²	58	97.5 Å²	97.5	48%	0.479	51%	0.506	S	S	.	.	H	α-helix	trans	-64.4	-49.2	175.8	0	0	0	0	0	111.8	P588 S589 F594 I595 E596	P588-A592 WeakPolarHBondContact O-CB 3.41Å; P588-A592 PolarHBondContact O-N 2.92Å; S589-A592 PolarHBondContact O-N 2.87Å; A592-F594 VanDerWaalsContact C-N 3.3Å; A592-F594 PolarHBondContact O-N 2.81Å; A592-I595 WeakPolarHBondContact O-CB 3.37Å; A592-I595 PolarHBondContact O-N 3.49Å; A592-I595 VanDerWaalsContact O-N 3.09Å; A592-E596 PolarHBondContact O-N 3.02Å
593	L	65.5	Low	62.5	Low	51 Å²	51	104.6 Å²	104.6	27%	0.267	54%	0.536	S	S	.	.	H	α-helix	trans	-62.1	-37.6	179.2	-162.8	161.1	0	0	0	111.5	V469 V471 S589 E596 L597	V469-L593 HydrophobicContact CG1-CD1 4.13Å; V469-L593 HydrophobicContact CG1-CD2 4.27Å; V471-L593 HydrophobicContact CG2-CD1 4.01Å; S589-L593 WeakPolarHBondContact O-CB 3.38Å; S589-L593 PolarHBondContact O-N 2.55Å; L593-E596 PolarHBondContact O-N 3.47Å; L593-L597 HydrophobicContact CD2-CD1 3.63Å; L593-L597 HydrophobicContact CD2-CG 4.16Å; L593-L597 WeakPolarHBondContact O-CG 3.49Å; L593-L597 PolarHBondContact O-N 2.66Å
594	F	62.7	Low	61.1	Low	138 Å²	138	107.1 Å²	107.1	61%	0.605	55%	0.549	S	S	*	.	H	α-helix	trans	-68.2	-36	174.1	-156.6	-98.8	0	0	0	112.7	L590 A592 L598	L590-F594 VanDerWaalsContact O-CB 3.28Å; L590-F594 WeakPolarHBondContact O-CB 3.24Å; L590-F594 PolarHBondContact O-N 3.45Å; A592-F594 VanDerWaalsContact C-N 3.3Å; A592-F594 PolarHBondContact O-N 2.81Å; F594-L598 HydrophobicContact CD1-CD1 3.68Å; F594-L598 HydrophobicContact CD1-CG 4.37Å; F594-L598 HydrophobicContact CE1-CD1 3.73Å; F594-L598 HydrophobicContact CE1-CG 4.39Å; F594-L598 WeakPolarHBondContact O-CB 3.42Å; F594-L598 WeakPolarHBondContact O-CD1 3.3Å; F594-L598 VanDerWaalsContact O-CG 3.22Å; F594-L598 WeakPolarHBondContact O-CG 3.48Å; F594-L598 PolarHBondContact O-N 3.29Å; F594-L598 VanDerWaalsContact O-N 3.13Å
595	I	66.4	Low	59.2	Low	83 Å²	83	106.8 Å²	106.8	43%	0.426	56%	0.558	S	S	.	*	H	α-helix	trans	-67.5	-39.6	172.7	-72.4	165.1	0	0	0	110.9	Q591 A592 L598 N599	Q591-I595 HydrophobicContact CG-CD1 4.08Å; Q591-I595 WeakPolarHBondContact O-CD1 3.44Å; Q591-I595 VanDerWaalsContact O-CG1 3.24Å; Q591-I595 WeakPolarHBondContact O-CG1 3.49Å; Q591-I595 PolarHBondContact O-N 3.04Å; A592-I595 WeakPolarHBondContact O-CB 3.37Å; A592-I595 PolarHBondContact O-N 3.49Å; A592-I595 VanDerWaalsContact O-N 3.09Å; I595-L598 PolarHBondContact O-N 3.14Å; I595-N599 WeakPolarHBondContact CG2-ND2 3.37Å; I595-N599 WeakPolarHBondContact O-CB 3.38Å; I595-N599 PolarHBondContact O-N 3.07Å; I595-N599 PolarHBondContact O-ND2 2.94Å; I595-N599 VanDerWaalsContact O-ND2 3.15Å
596	E	64.9	Low	57.3	Low	124 Å²	124	107.7 Å²	107.7	58%	0.579	57%	0.566	S	S	*	*	H	α-helix	trans	-67.1	-44.8	179.5	-169.1	164.7	-132	0	0	112.1	A592 L593 L598 N599 N600	A592-E596 PolarHBondContact O-N 3.02Å; L593-E596 PolarHBondContact O-N 3.47Å; E596-L598 VanDerWaalsContact C-N 3.34Å; E596-L598 PolarHBondContact O-N 3.19Å; E596-N599 PolarHBondContact O-N 3.28Å; E596-N600 PolarHBondContact O-N 3.24Å
597	L	58.4	Low	55.8	Low	101 Å²	101	114.9 Å²	114.9	53%	0.529	60%	0.599	S	S	.	*	H	α-helix	trans	-57.5	-43.8	170.8	-77.2	170.9	0	0	0	112.3	L593 N599	L593-L597 HydrophobicContact CD2-CD1 3.63Å; L593-L597 HydrophobicContact CD2-CG 4.16Å; L593-L597 WeakPolarHBondContact O-CG 3.49Å; L593-L597 PolarHBondContact O-N 2.66Å; L597-N599 VanDerWaalsContact C-N 3.3Å; L597-N599 PolarHBondContact O-N 3.25Å
598	L	55.6	Low	54.3	Low	80 Å²	80	116.4 Å²	116.4	42%	0.419	62%	0.616	S	S	.	*	H	α-helix	trans	-69.4	-23.2	178.2	-74.5	171.8	0	0	0	114	F594 I595 E596	F594-L598 HydrophobicContact CD1-CD1 3.68Å; F594-L598 HydrophobicContact CD1-CG 4.37Å; F594-L598 HydrophobicContact CE1-CD1 3.73Å; F594-L598 HydrophobicContact CE1-CG 4.39Å; F594-L598 WeakPolarHBondContact O-CB 3.42Å; F594-L598 WeakPolarHBondContact O-CD1 3.3Å; F594-L598 VanDerWaalsContact O-CG 3.22Å; F594-L598 WeakPolarHBondContact O-CG 3.48Å; F594-L598 PolarHBondContact O-N 3.29Å; F594-L598 VanDerWaalsContact O-N 3.13Å; I595-L598 PolarHBondContact O-N 3.14Å; E596-L598 VanDerWaalsContact C-N 3.34Å; E596-L598 PolarHBondContact O-N 3.19Å
599	N	64.1	Low	52.6	Low	115 Å²	115	118.6 Å²	118.6	62%	0.615	63%	0.628	S	S	*	*	H	α-helix	trans	-84.8	-29.1	179.5	-76.2	-29.8	0	0	0	113	I595 E596 L597 E601	I595-N599 WeakPolarHBondContact CG2-ND2 3.37Å; I595-N599 WeakPolarHBondContact O-CB 3.38Å; I595-N599 PolarHBondContact O-N 3.07Å; I595-N599 PolarHBondContact O-ND2 2.94Å; I595-N599 VanDerWaalsContact O-ND2 3.15Å; E596-N599 PolarHBondContact O-N 3.28Å; L597-N599 VanDerWaalsContact C-N 3.3Å; L597-N599 PolarHBondContact O-N 3.25Å; N599-E601 VanDerWaalsContact C-N 3.32Å; N599-E601 PolarHBondContact O-N 3.36Å
600	N	54.6	Low	51	Low	111 Å²	111	124 Å²	124	59%	0.594	64%	0.642	S	S	*	*			trans	-84.1	5	-174.6	-78.8	-26.6	0	0	0	115.2	E596 K602	E596-N600 PolarHBondContact O-N 3.24Å; N600-K602 PolarHBondContact O-N 3.13Å
601	E	47	Very low	49.5	Very low	165 Å²	165	125.6 Å²	125.6	77%	0.771	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	4.8	-176.2	-128.3	-175.4	-164.7	0	0	115.9	N599	N599-E601 VanDerWaalsContact C-N 3.32Å; N599-E601 PolarHBondContact O-N 3.36Å
602	K	45	Very low	47.8	Very low	194 Å²	194	128.1 Å²	128.1	84%	0.843	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-6	-176.8	-75.8	-174.2	175.8	178.4	0	116	N600	N600-K602 PolarHBondContact O-N 3.13Å
603	H	39.9	Very low	46.1	Very low	178 Å²	178	134.7 Å²	134.7	82%	0.824	69%	0.693	S	S	*	*	S	Bend	trans	-124.7	8.7	-169.3	-96	-75.9	0	0	0	116.7
604	I	39	Very low	44.7	Very low	143 Å²	143	137.9 Å²	137.9	73%	0.733	72%	0.717	S	S	*	*	S	Bend	trans	-98.2	124.5	178.7	-58.3	179.5	0	0	0	110.4
605	S	32.8	Very low	43.3	Very low	103 Å²	103	140.9 Å²	140.9	72%	0.72	73%	0.729	S	S	*	*			trans	-71.4	151.5	-167.9	-64.5	0	0	0	0	114.7	E607	S605-E607 PolarHBondContact O-N 2.86Å; S605-E607 VanDerWaalsContact O-N 3.15Å
606	P	33.2	Very low	41.9	Very low	126 Å²	126	143.3 Å²	143.3	82%	0.818	75%	0.75	S	S	*	*	S	Bend	trans	-91.4	76.6	-162.7	36.8	-38	0	0	0	114.5
607	E	38.6	Very low	40.6	Very low	188 Å²	188	141.6 Å²	141.6	88%	0.879	77%	0.766	S	S	*	*	S	Bend	trans	-118.8	-13.1	174	-137.5	168.3	-166	0	0	115.5	S605	S605-E607 PolarHBondContact O-N 2.86Å; S605-E607 VanDerWaalsContact O-N 3.15Å
608	V	37.9	Very low	39.7	Very low	140 Å²	140	139.9 Å²	139.9	85%	0.848	77%	0.773	S	S	*	*	S	Bend	trans	-95.5	-15.7	-177.6	-175	0	0	0	0	113.4	K610	V608-K610 PolarHBondContact O-N 2.86Å; V608-K610 VanDerWaalsContact O-N 3.11Å
609	V	34.9	Very low	39.3	Very low	126 Å²	126	141.9 Å²	141.9	76%	0.764	78%	0.784	S	S	*	*			trans	-88.5	85.6	-167	-171.3	0	0	0	0	113.1
610	K	31.5	Very low	38.3	Very low	194 Å²	194	142.6 Å²	142.6	84%	0.843	79%	0.787	S	S	*	*			trans	-118.5	67.8	167.9	-75.8	-178.5	-178.8	166.5	0	113.4	V608	V608-K610 PolarHBondContact O-N 2.86Å; V608-K610 VanDerWaalsContact O-N 3.11Å
611	T	32.6	Very low	38	Very low	120 Å²	120	141.8 Å²	141.8	74%	0.736	79%	0.786	S	S	*	*	S	Bend	trans	-175.5	147.2	140.8	17.9	0	0	0	0	111.9
612	N	31.9	Very low	38.5	Very low	152 Å²	152	136.5 Å²	136.5	81%	0.813	77%	0.767	S	S	*	*			trans	50.3	88.9	163.8	-60.2	-34.5	0	0	0	118.1
613	Q	30.7	Very low	39.1	Very low	196 Å²	196	130.7 Å²	130.7	92%	0.916	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-61.9	130.2	163.1	-71.3	-177.1	-12.8	0	0	111.8
614	P	36.3	Very low	39.9	Very low	119 Å²	119	126.9 Å²	126.9	77%	0.773	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-77.7	144.9	165.2	32.3	-32.8	0	0	0	110.7
615	K	34.2	Very low	40.9	Very low	200 Å²	200	122.5 Å²	122.5	87%	0.87	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-76.8	140.9	169.5	-74.3	-171.3	174.1	-172.9	0	110.3
616	P	36.6	Very low	42.6	Very low	134 Å²	134	124.7 Å²	124.7	87%	0.87	71%	0.712	S	S	*	*	S	Bend	trans	-69.3	148.7	-179.4	30	-35.9	0	0	0	111.5
617	G	36.9	Very low	44.2	Very low	88 Å²	88	124.6 Å²	124.6	91%	0.907	70%	0.7	S	S	*	*	S	Bend	trans	156.6	-10.3	173	0	0	0	0	0	117.4
618	G	40.8	Very low	45.2	Very low	65 Å²	65	122 Å²	122	67%	0.67	68%	0.683	S	S	*	*			trans	-150.8	118.3	177.8	0	0	0	0	0	112.8	L620	G618-L620 PolarHBondContact O-N 3.33Å; G618-L620 VanDerWaalsContact O-N 3.12Å
619	N	47.1	Very low	46.9	Very low	122 Å²	122	121.3 Å²	121.3	65%	0.652	67%	0.67	S	S	*	*			trans	-67.2	110.7	173.9	-79.3	3.1	0	0	0	109.2	V621 S622 T623	N619-V621 PolarHBondContact O-N 3.49Å; N619-S622 PolarHBondContact O-N 3.17Å; N619-S622 PolarHBondContact O-OG 3.13Å; N619-T623 PolarHBondContact O-N 3.49Å; N619-T623 PolarHBondContact O-OG1 2.88Å
620	L	43.6	Very low	48.6	Very low	131 Å²	131	119 Å²	119	69%	0.686	66%	0.66	S	S	*	*	H	α-helix	trans	-52.6	-42.2	175	-162.1	76.1	0	0	0	110.9	G618 S622 T623 L624	G618-L620 PolarHBondContact O-N 3.33Å; G618-L620 VanDerWaalsContact O-N 3.12Å; L620-S622 VanDerWaalsContact C-N 3.33Å; L620-S622 PolarHBondContact O-N 3.38Å; L620-T623 WeakPolarHBondContact O-CA 3.45Å; L620-T623 WeakPolarHBondContact O-CB 3.39Å; L620-T623 PolarHBondContact O-N 2.89Å; L620-L624 HydrophobicContact CD2-CD1 4.33Å; L620-L624 HydrophobicContact CG-CD1 4.14Å; L620-L624 PolarHBondContact O-N 2.82Å
621	V	46.9	Very low	50.3	Low	93 Å²	93	118.3 Å²	118.3	56%	0.564	65%	0.652	S	S	*	*	H	α-helix	trans	-50.3	-47.3	172.8	-177.3	0	0	0	0	112.3	N619 T623 L624 S625	N619-V621 PolarHBondContact O-N 3.49Å; V621-T623 VanDerWaalsContact C-N 3.29Å; V621-T623 PolarHBondContact O-N 2.81Å; V621-L624 PolarHBondContact O-N 2.98Å; V621-S625 WeakPolarHBondContact O-CB 3.25Å; V621-S625 PolarHBondContact O-N 2.87Å
622	S	57.4	Low	52.2	Low	54 Å²	54	115.4 Å²	115.4	38%	0.378	63%	0.632	S	S	.	*	H	α-helix	trans	-71.2	-23	179.8	73	0	0	0	0	113.6	N619 L620 K626	N619-S622 PolarHBondContact O-N 3.17Å; N619-S622 PolarHBondContact O-OG 3.13Å; L620-S622 VanDerWaalsContact C-N 3.33Å; L620-S622 PolarHBondContact O-N 3.38Å; S622-K626 VanDerWaalsContact O-CG 3.32Å; S622-K626 WeakPolarHBondContact O-CG 3.47Å; S622-K626 PolarHBondContact O-N 3.35Å
623	T	58.8	Low	54.1	Low	72 Å²	72	111 Å²	111	44%	0.442	62%	0.616	S	S	.	*	H	α-helix	trans	-78.8	-45.5	175.6	-50.7	0	0	0	0	110.3	N619 L620 V621 K626 Q627	N619-T623 PolarHBondContact O-N 3.49Å; N619-T623 PolarHBondContact O-OG1 2.88Å; L620-T623 WeakPolarHBondContact O-CA 3.45Å; L620-T623 WeakPolarHBondContact O-CB 3.39Å; L620-T623 PolarHBondContact O-N 2.89Å; V621-T623 VanDerWaalsContact C-N 3.29Å; V621-T623 PolarHBondContact O-N 2.81Å; T623-K626 PolarHBondContact O-N 3.3Å; T623-Q627 WeakPolarHBondContact O-CG 3.45Å; T623-Q627 PolarHBondContact O-N 3.21Å
624	L	55.8	Low	55.9	Low	98 Å²	98	107 Å²	107	51%	0.513	60%	0.598	S	S	.	*	H	α-helix	trans	-66.8	-43.4	176.6	-68.8	170.8	0	0	0	111.8	L620 V621 K626 Q627 W628	L620-L624 HydrophobicContact CD2-CD1 4.33Å; L620-L624 HydrophobicContact CG-CD1 4.14Å; L620-L624 PolarHBondContact O-N 2.82Å; V621-L624 PolarHBondContact O-N 2.98Å; L624-K626 PolarHBondContact O-N 2.91Å; L624-Q627 PolarHBondContact O-N 2.99Å; L624-W628 WeakPolarHBondContact O-CB 3.26Å; L624-W628 PolarHBondContact O-N 3.19Å
625	S	60.2	Low	57.4	Low	52 Å²	52	107.5 Å²	107.5	36%	0.364	59%	0.59	S	S	.	*	H	α-helix	trans	-53.9	-50.5	172.6	155.5	0	0	0	0	111.5	V621 Q627 W628 E629	V621-S625 WeakPolarHBondContact O-CB 3.25Å; V621-S625 PolarHBondContact O-N 2.87Å; S625-Q627 PolarHBondContact O-N 3.25Å; S625-W628 PolarHBondContact O-N 3.09Å; S625-E629 WeakPolarHBondContact O-CG 3.18Å; S625-E629 PolarHBondContact O-N 3.19Å
626	K	69.2	Low	59.2	Low	148 Å²	148	106.4 Å²	106.4	64%	0.643	58%	0.58	S	S	*	*	H	α-helix	trans	-65.1	-34.1	177.6	-74.7	178.2	179.2	-178.8	0	113.7	S622 T623 L624 S630	S622-K626 VanDerWaalsContact O-CG 3.32Å; S622-K626 WeakPolarHBondContact O-CG 3.47Å; S622-K626 PolarHBondContact O-N 3.35Å; T623-K626 PolarHBondContact O-N 3.3Å; L624-K626 PolarHBondContact O-N 2.91Å; K626-S630 VanDerWaalsContact O-CB 3.26Å; K626-S630 WeakPolarHBondContact O-CB 3.47Å; K626-S630 PolarHBondContact O-N 2.9Å; K626-S630 VanDerWaalsContact O-N 3.09Å
627	Q	67.2	Low	60.6	Low	124 Å²	124	102.6 Å²	102.6	58%	0.579	56%	0.56	S	S	*	*	H	α-helix	trans	-67.9	-39	173.1	-75.3	-177.3	-4	0	0	111.9	T623 L624 S625 R631	T623-Q627 WeakPolarHBondContact O-CG 3.45Å; T623-Q627 PolarHBondContact O-N 3.21Å; L624-Q627 PolarHBondContact O-N 2.99Å; S625-Q627 PolarHBondContact O-N 3.25Å; Q627-R631 PolarHBondContact O-N 3.04Å; Q627-R631 VanDerWaalsContact O-N 3.09Å
628	W	59.7	Low	62.1	Low	134 Å²	134	103.1 Å²	103.1	51%	0.508	54%	0.539	S	S	.	.	H	α-helix	trans	-67.6	-49.1	177.4	-169	-96.4	0	0	0	111.9	F587 L624 S625 S630 R631 L632	F587-W628 HydrophobicContact CZ-CH2 4.36Å; F587-W628 HydrophobicContact CZ-CZ2 4.2Å; L624-W628 WeakPolarHBondContact O-CB 3.26Å; L624-W628 PolarHBondContact O-N 3.19Å; S625-W628 PolarHBondContact O-N 3.09Å; W628-S630 VanDerWaalsContact C-N 3.29Å; W628-S630 PolarHBondContact O-N 3.15Å; W628-R631 PolarHBondContact O-N 3Å; W628-L632 WeakPolarHBondContact O-CB 3.31Å; W628-L632 PolarHBondContact O-N 2.75Å
629	E	71.8	Confident	63.3	Low	126 Å²	126	102.7 Å²	102.7	59%	0.589	53%	0.529	S	S	*	.	H	α-helix	trans	-56.2	-42.5	174.2	-74.5	-178.9	175	0	0	112	S625 L632 A633	S625-E629 WeakPolarHBondContact O-CG 3.18Å; S625-E629 PolarHBondContact O-N 3.19Å; E629-L632 PolarHBondContact O-N 3.12Å; E629-A633 VanDerWaalsContact O-CB 3.28Å; E629-A633 WeakPolarHBondContact O-CB 3.35Å; E629-A633 PolarHBondContact O-N 2.96Å
630	S	70.5	Confident	64.1	Low	78 Å²	78	104.4 Å²	104.4	55%	0.545	53%	0.531	S	S	.	.	H	α-helix	trans	-61.2	-45.9	176.5	-172.8	0	0	0	0	112.2	K626 W628 L632 A633 Q634	K626-S630 VanDerWaalsContact O-CB 3.26Å; K626-S630 WeakPolarHBondContact O-CB 3.47Å; K626-S630 PolarHBondContact O-N 2.9Å; K626-S630 VanDerWaalsContact O-N 3.09Å; W628-S630 VanDerWaalsContact C-N 3.29Å; W628-S630 PolarHBondContact O-N 3.15Å; S630-L632 PolarHBondContact O-N 3.32Å; S630-A633 PolarHBondContact O-N 3.17Å; S630-Q634 WeakPolarHBondContact O-CB 3.38Å; S630-Q634 PolarHBondContact O-N 2.8Å
631	R	68	Low	64.7	Low	178 Å²	178	104.6 Å²	104.6	67%	0.672	53%	0.532	S	S	*	.	H	α-helix	trans	-60.4	-44.8	174.1	-99.4	-178.2	166.7	175.4	-4.7	112.4	Q627 W628 Q634 Q635	Q627-R631 PolarHBondContact O-N 3.04Å; Q627-R631 VanDerWaalsContact O-N 3.09Å; W628-R631 PolarHBondContact O-N 3Å; R631-Q634 PolarHBondContact O-N 3.31Å; R631-Q635 PolarHBondContact O-N 3.31Å
632	L	71.7	Confident	65	Low	59 Å²	59	107.7 Å²	107.7	31%	0.309	54%	0.544	S	S	.	.	H	α-helix	trans	-72	-33.3	-175.9	-146.6	154.7	0	0	0	111.3	W628 E629 S630 R636	W628-L632 WeakPolarHBondContact O-CB 3.31Å; W628-L632 PolarHBondContact O-N 2.75Å; E629-L632 PolarHBondContact O-N 3.12Å; S630-L632 PolarHBondContact O-N 3.32Å; L632-R636 HydrophobicContact CD2-CG 4.4Å; L632-R636 WeakPolarHBondContact O-CB 3.45Å; L632-R636 VanDerWaalsContact O-CG 3.28Å; L632-R636 WeakPolarHBondContact O-CG 3.34Å; L632-R636 PolarHBondContact O-N 3.31Å; L632-R636 VanDerWaalsContact O-N 3.1Å
633	A	72.2	Confident	64.7	Low	60 Å²	60	109.3 Å²	109.3	50%	0.496	56%	0.556	S	S	.	*	H	α-helix	trans	-65.7	-40.6	168.5	0	0	0	0	0	112.3	E629 S630 R636 A637	E629-A633 VanDerWaalsContact O-CB 3.28Å; E629-A633 WeakPolarHBondContact O-CB 3.35Å; E629-A633 PolarHBondContact O-N 2.96Å; S630-A633 PolarHBondContact O-N 3.17Å; A633-R636 PolarHBondContact O-N 3Å; A633-A637 PolarHBondContact O-N 3.25Å
634	Q	69.5	Low	63.6	Low	112 Å²	112	115.6 Å²	115.6	52%	0.523	57%	0.571	S	S	.	*	H	α-helix	trans	-64.7	-48	177.6	-172.2	175.9	-17.2	0	0	111.8	S630 R631 R636 A637 E638	S630-Q634 WeakPolarHBondContact O-CB 3.38Å; S630-Q634 PolarHBondContact O-N 2.8Å; R631-Q634 PolarHBondContact O-N 3.31Å; Q634-R636 VanDerWaalsContact C-N 3.32Å; Q634-R636 PolarHBondContact O-N 2.97Å; Q634-A637 WeakPolarHBondContact O-CB 3.47Å; Q634-A637 PolarHBondContact O-N 2.88Å; Q634-E638 PolarHBondContact NE2-OE1 2.68Å; Q634-E638 PolarHBondContact O-N 2.94Å
635	Q	67.5	Low	62.8	Low	130 Å²	130	116.4 Å²	116.4	61%	0.607	58%	0.582	S	S	*	*	H	α-helix	trans	-59.5	-40.2	174.4	-74	-178.6	-23.5	0	0	112.3	R631 A637 E638 A639	R631-Q635 PolarHBondContact O-N 3.31Å; Q635-A637 VanDerWaalsContact C-N 3.28Å; Q635-A637 PolarHBondContact O-N 3.49Å; Q635-E638 PolarHBondContact O-N 2.97Å; Q635-A639 WeakPolarHBondContact O-CB 3.32Å; Q635-A639 PolarHBondContact O-N 3.21Å
636	R	71	Confident	61.4	Low	176 Å²	176	121.2 Å²	121.2	66%	0.664	60%	0.604	S	S	*	*	H	α-helix	trans	-65.1	-28.4	174.7	-77.6	174.3	171.3	176.7	-1.1	113.3	L632 A633 Q634 K640	L632-R636 HydrophobicContact CD2-CG 4.4Å; L632-R636 WeakPolarHBondContact O-CB 3.45Å; L632-R636 VanDerWaalsContact O-CG 3.28Å; L632-R636 WeakPolarHBondContact O-CG 3.34Å; L632-R636 PolarHBondContact O-N 3.31Å; L632-R636 VanDerWaalsContact O-N 3.1Å; A633-R636 PolarHBondContact O-N 3Å; Q634-R636 VanDerWaalsContact C-N 3.32Å; Q634-R636 PolarHBondContact O-N 2.97Å; R636-K640 WeakPolarHBondContact O-CG 3.3Å; R636-K640 PolarHBondContact O-N 3.08Å
637	A	67.7	Low	59.7	Low	54 Å²	54	121.1 Å²	121.1	45%	0.446	61%	0.61	S	S	.	*	H	α-helix	trans	-75.2	-41	173.9	0	0	0	0	0	111.9	A633 Q634 Q635 K640 L641	A633-A637 PolarHBondContact O-N 3.25Å; Q634-A637 WeakPolarHBondContact O-CB 3.47Å; Q634-A637 PolarHBondContact O-N 2.88Å; Q635-A637 VanDerWaalsContact C-N 3.28Å; Q635-A637 PolarHBondContact O-N 3.49Å; A637-K640 PolarHBondContact O-N 3.4Å; A637-L641 PolarHBondContact O-N 3.21Å
638	E	66.8	Low	58.1	Low	100 Å²	100	122.5 Å²	122.5	47%	0.467	62%	0.622	S	S	.	*	H	α-helix	trans	-66	-42.9	176.5	-70.9	166.4	-179	0	0	111.3	Q634 Q635 K640 L641 L642	Q634-E638 PolarHBondContact NE2-OE1 2.68Å; Q634-E638 PolarHBondContact O-N 2.94Å; Q635-E638 PolarHBondContact O-N 2.97Å; E638-K640 VanDerWaalsContact C-N 3.33Å; E638-K640 PolarHBondContact O-N 3.38Å; E638-L641 WeakPolarHBondContact O-CB 3.44Å; E638-L641 PolarHBondContact O-N 2.98Å; E638-L641 VanDerWaalsContact O-N 3.09Å; E638-L642 PolarHBondContact O-N 3.47Å
639	A	65.7	Low	56.9	Low	56 Å²	56	124 Å²	124	46%	0.463	64%	0.639	S	S	.	*	H	α-helix	trans	-58.9	-40.7	172.7	0	0	0	0	0	112.8	Q635 L641 L642 S643	Q635-A639 WeakPolarHBondContact O-CB 3.32Å; Q635-A639 PolarHBondContact O-N 3.21Å; A639-L641 VanDerWaalsContact C-N 3.26Å; A639-L641 PolarHBondContact O-N 3.26Å; A639-L642 PolarHBondContact O-N 2.88Å; A639-S643 WeakPolarHBondContact O-CB 3.36Å; A639-S643 PolarHBondContact O-N 2.91Å; A639-S643 PolarHBondContact O-OG 3.34Å
640	K	65.7	Low	54.9	Low	158 Å²	158	124.3 Å²	124.3	69%	0.687	65%	0.65	S	S	*	*	H	α-helix	trans	-70.2	-17	176	-80.6	-174.5	175	-174	0	114.6	R636 A637 E638	R636-K640 WeakPolarHBondContact O-CG 3.3Å; R636-K640 PolarHBondContact O-N 3.08Å; A637-K640 PolarHBondContact O-N 3.4Å; E638-K640 VanDerWaalsContact C-N 3.33Å; E638-K640 PolarHBondContact O-N 3.38Å
641	L	56.3	Low	53.3	Low	135 Å²	135	130.2 Å²	130.2	71%	0.707	67%	0.666	S	S	*	*	H	α-helix	trans	-81.5	-34.2	170.8	-86.4	160.2	0	0	0	111.7	A637 E638 A639	A637-L641 PolarHBondContact O-N 3.21Å; E638-L641 WeakPolarHBondContact O-CB 3.44Å; E638-L641 PolarHBondContact O-N 2.98Å; E638-L641 VanDerWaalsContact O-N 3.09Å; A639-L641 VanDerWaalsContact C-N 3.26Å; A639-L641 PolarHBondContact O-N 3.26Å
642	L	52.8	Low	51.4	Low	158 Å²	158	132.9 Å²	132.9	83%	0.827	68%	0.676	S	S	*	*	H	α-helix	trans	-76	-32.8	175.8	-69.2	164.9	0	0	0	112.8	E638 A639 R644	E638-L642 PolarHBondContact O-N 3.47Å; A639-L642 PolarHBondContact O-N 2.88Å; L642-R644 VanDerWaalsContact C-N 3.33Å; L642-R644 PolarHBondContact O-N 2.83Å
643	S	50	Low	49.8	Very low	88 Å²	88	137.4 Å²	137.4	62%	0.615	70%	0.699	S	S	*	*			trans	-88.1	27	-173.3	79.4	0	0	0	0	115.4	A639	A639-S643 WeakPolarHBondContact O-CB 3.36Å; A639-S643 PolarHBondContact O-N 2.91Å; A639-S643 PolarHBondContact O-OG 3.34Å
644	R	36.6	Very low	47.9	Very low	204 Å²	204	141.5 Å²	141.5	77%	0.77	71%	0.713	S	S	*	*			trans	-87.9	119.6	177.4	-86.5	-172.6	162	-158.6	-6.6	110.9	L642 N646	L642-R644 VanDerWaalsContact C-N 3.33Å; L642-R644 PolarHBondContact O-N 2.83Å; R644-N646 PolarHBondContact O-N 3.32Å
645	P	37.8	Very low	46.3	Very low	114 Å²	114	145.3 Å²	145.3	74%	0.74	73%	0.73	S	S	*	*			trans	-68.4	130.4	179.8	27.8	-34.1	0	0	0	111.2	N647	P645-N647 PolarHBondContact O-N 3.15Å; P645-N647 VanDerWaalsContact O-N 3.1Å
646	N	32.6	Very low	44.7	Very low	154 Å²	154	148.1 Å²	148.1	82%	0.824	74%	0.741	S	S	*	*			trans	-87.2	69.5	-175.1	-169.2	27.6	0	0	0	111.9	R644 N648	R644-N646 PolarHBondContact O-N 3.32Å; N646-N648 PolarHBondContact O-N 3.38Å
647	N	33.3	Very low	43.1	Very low	146 Å²	146	147.4 Å²	147.4	78%	0.781	75%	0.748	S	S	*	*			trans	-80	102.9	175.7	-96.1	-1.6	0	0	0	111.4	P645	P645-N647 PolarHBondContact O-N 3.15Å; P645-N647 VanDerWaalsContact O-N 3.1Å
648	N	32.2	Very low	41.3	Very low	152 Å²	152	149.9 Å²	149.9	81%	0.813	76%	0.758	S	S	*	*			trans	-154.3	74.5	158.8	-95.6	-37.3	0	0	0	109.9	N646	N646-N648 PolarHBondContact O-N 3.38Å
649	N	35.5	Very low	39.6	Very low	165 Å²	165	152.3 Å²	152.3	88%	0.882	77%	0.774	S	S	*	*			trans	-74.3	143.2	168.8	-97.2	-17.3	0	0	0	110.7
650	T	30.4	Very low	38	Very low	133 Å²	133	156.4 Å²	156.4	82%	0.816	79%	0.793	S	S	*	*			trans	-71.8	146.5	177.7	45.6	0	0	0	0	112.2
651	K	35	Very low	36.5	Very low	203 Å²	203	154.9 Å²	154.9	88%	0.883	80%	0.799	S	S	*	*			trans	-159	124.5	149.3	-112.3	166.7	-171.5	-178.4	0	110.4
652	R	29.8	Very low	35.4	Very low	234 Å²	234	152.1 Å²	152.1	88%	0.883	80%	0.803	S	S	*	*			trans	-74.7	137.7	164.8	-70.1	176.8	174.5	159.5	-4.3	108.7
653	I	38	Very low	34.6	Very low	154 Å²	154	154.3 Å²	154.3	79%	0.79	81%	0.806	S	S	*	*			trans	-141	120.5	150.7	-57.1	-177.7	0	0	0	106.3
654	D	31.9	Very low	33.8	Very low	146 Å²	146	156.4 Å²	156.4	78%	0.781	82%	0.818	S	S	*	*			trans	-92.4	125	170.5	-69.1	-77.1	0	0	0	109.1
655	E	36.8	Very low	33.7	Very low	191 Å²	191	154.1 Å²	154.1	89%	0.893	82%	0.821	S	S	*	*			trans	-155.2	160.4	159.8	-128.2	171	-149.9	0	0	112.7
656	K	33.4	Very low	33.4	Very low	189 Å²	189	157.8 Å²	157.8	82%	0.822	83%	0.828	S	S	*	*			trans	-142.9	85.3	-142.7	-178.3	-169	174.2	-175.9	0	113.5
657	I	36.3	Very low	33.5	Very low	161 Å²	161	161.5 Å²	161.5	83%	0.826	83%	0.83	S	S	*	*			trans	-134.3	83.7	177.5	-49.8	-177.2	0	0	0	113.5
658	T	31.4	Very low	33.4	Very low	107 Å²	107	166.4 Å²	166.4	66%	0.656	84%	0.838	S	S	*	*				35.5	111.7	117.7	-48.2	0	0	0	0	121.1
659	L	30.9	Very low	33.3	Very low	151 Å²	151	163.7 Å²	163.7	79%	0.791	84%	0.837	S	S	*	*			trans	58.7	120.8	144.7	-60.4	171.9	0	0	0	122
660	T	32.5	Very low	33.4	Very low	142 Å²	142	160 Å²	160	87%	0.871	83%	0.829	S	S	*	*				-173.4	145.5	100.8	23.4	0	0	0	0	112.2
661	P	33.3	Very low	33.5	Very low	126 Å²	126	159.6 Å²	159.6	82%	0.818	83%	0.829	S	S	*	*			trans	-102.7	148.1	-178.5	37.3	-32.7	0	0	0	114.2
662	G	33.7	Very low	33.6	Very low	76 Å²	76	155 Å²	155	78%	0.784	83%	0.828	S	S	*	*			trans	-151.1	106.4	-180	0	0	0	0	0	115.9
663	K	35.3	Very low	33.8	Very low	204 Å²	204	151 Å²	151	89%	0.887	82%	0.818	S	S	*	*			trans	42.2	118.5	160.7	-61.9	-174.1	179.2	-179.9	0	119.6
664	P	32.3	Very low	33.4	Very low	133 Å²	133	147.9 Å²	147.9	86%	0.864	80%	0.802	S	S	*	*			trans	-71.4	151	166.4	33.4	-34.7	0	0	0	111.2
665	N	35.1	Very low	33.7	Very low	156 Å²	156	146 Å²	146	83%	0.834	80%	0.798	S	S	*	*			trans	-114.1	123.4	175.7	-164	-10.2	0	0	0	110	R667	N665-R667 PolarHBondContact O-N 2.65Å
666	E	31.2	Very low	33.7	Very low	190 Å²	190	147 Å²	147	89%	0.888	79%	0.794	S	S	*	*			trans	-74	111.8	-168.2	-64	-171.6	128.4	0	0	112.5
667	R	35.3	Very low	33.7	Very low	232 Å²	232	145.5 Å²	145.5	88%	0.875	79%	0.79	S	S	*	*			trans	-122.8	119.7	158.3	-70.4	-171.8	174.1	-171.1	-1.4	108.7	N665 A669	N665-R667 PolarHBondContact O-N 2.65Å; R667-A669 PolarHBondContact O-N 2.87Å; R667-A669 VanDerWaalsContact O-N 3.15Å
668	R	31.6	Very low	33.8	Very low	250 Å²	250	147 Å²	147	94%	0.943	79%	0.785	S	S	*	*			trans	-44.1	117.5	-175.1	-73.8	176.3	170.3	167.8	-4.2	111.3	A670	R668-A670 PolarHBondContact O-N 2.68Å
669	A	29.7	Very low	34.5	Very low	95 Å²	95	150.3 Å²	150.3	79%	0.785	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-59.3	131.5	169.5	0	0	0	0	0	109.5	R667	R667-A669 PolarHBondContact O-N 2.87Å; R667-A669 VanDerWaalsContact O-N 3.15Å
670	A	36.9	Very low	35.4	Very low	88 Å²	88	143.7 Å²	143.7	73%	0.727	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-64.5	139.7	169.7	0	0	0	0	0	109.1	R668 A672	R668-A670 PolarHBondContact O-N 2.68Å; A670-A672 PolarHBondContact O-N 3.46Å
671	P	33.6	Very low	36.2	Very low	123 Å²	123	145.8 Å²	145.8	80%	0.799	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-60.3	139.1	178.4	25.7	-34.2	0	0	0	110.3	F673	P671-F673 PolarHBondContact O-N 2.76Å
672	A	36.5	Very low	37.1	Very low	106 Å²	106	140.5 Å²	140.5	88%	0.876	71%	0.709	S	S	*	*			trans	-56.3	106.3	-174	0	0	0	0	0	111.6	A670 N674	A670-A672 PolarHBondContact O-N 3.46Å; A672-N674 PolarHBondContact O-N 3.27Å; A672-N674 VanDerWaalsContact O-N 3.08Å
673	F	33.4	Very low	37.9	Very low	151 Å²	151	141.9 Å²	141.9	66%	0.662	70%	0.703	S	S	*	*			trans	-73.1	103.4	-175.3	177	-100.8	0	0	0	110.9	P671 P675	P671-F673 PolarHBondContact O-N 2.76Å; F673-P675 WeakPolarHBondContact O-CD 3.39Å
674	N	31.1	Very low	38.7	Very low	88 Å²	88	133.2 Å²	133.2	47%	0.471	67%	0.671	S	S	.	*			trans	-66.4	114.7	171.8	-178.4	-17.5	0	0	0	110	A672 R676 H677	A672-N674 PolarHBondContact O-N 3.27Å; A672-N674 VanDerWaalsContact O-N 3.08Å; N674-R676 PolarHBondContact O-N 2.86Å; N674-R676 WeakPolarHBondContact OD1-CB 3.43Å; N674-R676 PolarHBondContact OD1-N 3.31Å; N674-R676 VanDerWaalsContact OD1-N 3.08Å; N674-H677 PolarHBondContact O-N 3.34Å
675	P	36.9	Very low	39.8	Very low	107 Å²	107	129.7 Å²	129.7	70%	0.695	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-61.7	-15.5	-174.9	-24.8	36.1	0	0	0	114.8	F673 H677	F673-P675 WeakPolarHBondContact O-CD 3.39Å; P675-H677 VanDerWaalsContact C-N 3.25Å; P675-H677 PolarHBondContact O-N 2.79Å
676	R	38.3	Very low	40.9	Very low	213 Å²	213	127 Å²	127	80%	0.804	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-72.4	-15.2	175.7	-64.7	179	170.6	154.1	-0.5	113.2	N674 R678	N674-R676 PolarHBondContact O-N 2.86Å; N674-R676 WeakPolarHBondContact OD1-CB 3.43Å; N674-R676 PolarHBondContact OD1-N 3.31Å; N674-R676 VanDerWaalsContact OD1-N 3.08Å; R676-R678 VanDerWaalsContact C-N 3.32Å; R676-R678 PolarHBondContact O-N 2.69Å
677	H	33.4	Very low	42.8	Very low	157 Å²	157	124.6 Å²	124.6	73%	0.727	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-91.9	38.6	177.4	-90.1	-141.1	0	0	0	113.9	N674 P675 R679	N674-H677 PolarHBondContact O-N 3.34Å; P675-H677 VanDerWaalsContact C-N 3.25Å; P675-H677 PolarHBondContact O-N 2.79Å; H677-R679 PolarHBondContact O-N 2.91Å
678	R	37.8	Very low	44.6	Very low	191 Å²	191	114.5 Å²	114.5	72%	0.721	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-65.6	119.2	164	-158.3	174.1	-177.8	161.7	3.1	108.9	R676	R676-R678 VanDerWaalsContact C-N 3.32Å; R676-R678 PolarHBondContact O-N 2.69Å
679	R	45.6	Very low	47.2	Very low	177 Å²	177	109.1 Å²	109.1	67%	0.668	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-51.5	153.8	164.7	-135.9	178.4	-169.7	-156.4	1.7	108.4	H677	H677-R679 PolarHBondContact O-N 2.91Å
680	S	49.3	Very low	50	Low	12 Å²	12	105.1 Å²	105.1	8%	0.084	55%	0.548	C	S	.	.	P	Polyproline II helix	trans	-50.3	162.8	180	54.7	0	0	0	0	112.9	S682 K748 D765 E767	S680-S682 PolarHBondContact O-N 3.4Å; S680-S682 PolarHBondContact OG-OG 3Å; S680-K748 PolarHBondContact OG-NZ 2.94Å; S680-D765 WeakPolarHBondContact CB-OD2 3.48Å; S680-E767 WeakPolarHBondContact CB-OE1 3.36Å; S680-E767 PolarHBondContact OG-OE1 3.14Å
681	R	51	Low	52.5	Low	187 Å²	187	101 Å²	101	71%	0.706	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	13.2	179.1	-85.6	-173.6	168.4	-160.3	-3	115.1	V683 G684 W690	R681-V683 CarbonylContact O-C 3.55Å; R681-V683 PolarHBondContact O-N 3.39Å; R681-G684 PolarHBondContact O-N 3Å; R681-W690 VanDerWaalsContact O-CZ2 3.3Å; R681-W690 WeakPolarHBondContact O-CZ2 3.3Å
682	S	52.3	Low	55.1	Low	14 Å²	14	95.5 Å²	95.5	10%	0.098	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-37.8	167.9	-51	0	0	0	0	113.1	S680 G684 K748	S680-S682 PolarHBondContact O-N 3.4Å; S680-S682 PolarHBondContact OG-OG 3Å; S682-G684 PolarHBondContact O-N 3.12Å; S682-K748 PolarHBondContact OG-NZ 3.25Å
683	V	50.3	Low	57.6	Low	106 Å²	106	92 Å²	92	64%	0.642	44%	0.443	S	S	*	.	S	Bend	trans	-90.1	85.9	167.7	-168.6	0	0	0	0	108	R681	R681-V683 CarbonylContact O-C 3.55Å; R681-V683 PolarHBondContact O-N 3.39Å
684	G	50.8	Low	60	Low	21 Å²	21	87.2 Å²	87.2	22%	0.216	42%	0.423	C	S	.	.			trans	-60.7	162	152.2	0	0	0	0	0	109.7	R681 S682	R681-G684 PolarHBondContact O-N 3Å; S682-G684 PolarHBondContact O-N 3.12Å
685	G	55.7	Low	62.2	Low	60 Å²	60	86.2 Å²	86.2	62%	0.619	42%	0.415	S	S	*	.			trans	-56.3	153.4	171.6	0	0	0	0	0	110.6	N687 A688	G685-N687 PolarHBondContact O-N 3.41Å; G685-A688 WeakPolarHBondContact O-CB 3.34Å; G685-A688 PolarHBondContact O-N 2.74Å
686	D	59.3	Low	64	Low	100 Å²	100	86.7 Å²	86.7	54%	0.535	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-27.3	-158.1	-70.5	-73.2	0	0	0	116.7	K710 H711	D686-K710 IonicContact OD1-NZ 3.53Å; D686-K710 PolarHBondContact OD1-NZ 3.5Å; D686-H711 PolarHBondContact O-CD2 3.07Å
687	N	70	Confident	65.6	Low	139 Å²	139	83.6 Å²	83.6	74%	0.743	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-1.7	178.4	-62.7	-10.4	0	0	0	114.9	G685 R689	G685-N687 PolarHBondContact O-N 3.41Å; N687-R689 PolarHBondContact O-N 3.37Å
688	A	74	Confident	67.3	Low	19 Å²	19	77.9 Å²	77.9	16%	0.157	39%	0.39	C	S	.	.			trans	-69.4	122.4	-171	0	0	0	0	0	112.6	G685	G685-A688 WeakPolarHBondContact O-CB 3.34Å; G685-A688 PolarHBondContact O-N 2.74Å
689	R	85	Confident	68.8	Low	137 Å²	137	72.3 Å²	72.3	52%	0.517	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	132.2	-177.8	-59.7	178.2	-175.8	-179.1	1.3	111	N687 H711 N725 A726 D727 N728	N687-R689 PolarHBondContact O-N 3.37Å; R689-H711 WeakPolarHBondContact CA-O 3.24Å; R689-N725 WeakPolarHBondContact CD-O 3.43Å; R689-N725 PolarHBondContact NH1-O 2.94Å; R689-A726 HydrophobicContact CB-CB 4.39Å; R689-D727 WeakPolarHBondContact CB-OD2 3.47Å; R689-D727 PolarHBondContact N-OD2 3.31Å; R689-D727 PolarHBondContact O-N 3.21Å; R689-N728 PolarHBondContact O-N 3.49Å
690	W	88.3	Confident	69.8	Low	11 Å²	11	69.5 Å²	69.5	4%	0.042	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.5	-179.2	-69.9	80.4	0	0	0	112	R681 L709 H711 R712 K713 N728 L730 K748	R681-W690 VanDerWaalsContact O-CZ2 3.3Å; R681-W690 WeakPolarHBondContact O-CZ2 3.3Å; W690-L709 HydrophobicContact CB-CD1 4Å; W690-L709 HydrophobicContact CD2-CD1 4.12Å; W690-L709 HydrophobicContact CD2-CD2 3.77Å; W690-L709 HydrophobicContact CD2-CG 4.5Å; W690-L709 HydrophobicContact CE3-CD1 4.26Å; W690-L709 HydrophobicContact CE3-CD2 4.24Å; W690-L709 HydrophobicContact CG-CB 4.42Å; W690-L709 HydrophobicContact CG-CD1 4.02Å; W690-L709 HydrophobicContact CG-CD2 4.03Å; W690-L709 HydrophobicContact CG-CG 4.38Å; W690-L709 HydrophobicContact CZ2-CD2 4.26Å; W690-H711 PolarHBondContact N-O 3.2Å; W690-R712 HydrophobicContact CB-CB 4.09Å; W690-R712 CarbonylContact O-C 3.54Å; W690-R712 VanDerWaalsContact O-CA 3.26Å; W690-R712 WeakPolarHBondContact O-CA 3.45Å; W690-K713 PolarHBondContact O-N 3.48Å; W690-N728 CarbonylContact C-O 3.53Å; W690-N728 WeakPolarHBondContact CA-O 3.32Å; W690-N728 HydrophobicContact CD2-CB 3.58Å; W690-N728 HydrophobicContact CE3-CB 3.54Å; W690-N728 HydrophobicContact CG-CB 4.23Å; W690-N728 HydrophobicContact CH2-CB 3.9Å; W690-N728 HydrophobicContact CZ2-CB 3.94Å; W690-N728 HydrophobicContact CZ3-CB 3.7Å; W690-L730 HydrophobicContact CE3-CB 4.16Å; W690-L730 HydrophobicContact CZ3-CB 4.4Å; W690-K748 HydrophobicContact CZ3-CG 4.37Å
691	L	90.2	Very high	70.5	Confident	2 Å²	2	70 Å²	70	1%	0.01	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	114.6	165	-174.7	57.9	0	0	0	109	K713 V715 V718 D722 T723 A726 N728 Y729 L730 I751	L691-K713 HydrophobicContact CD1-CB 4.41Å; L691-V715 HydrophobicContact CD1-CG1 4.02Å; L691-V715 HydrophobicContact CD1-CG2 3.74Å; L691-V715 HydrophobicContact CG-CG2 4.32Å; L691-V718 HydrophobicContact CD2-CG1 3.85Å; L691-D722 HydrophobicContact CD1-CB 3.8Å; L691-D722 HydrophobicContact CD2-CB 3.74Å; L691-D722 HydrophobicContact CG-CB 4.45Å; L691-T723 HydrophobicContact CD2-CG2 3.7Å; L691-A726 HydrophobicContact CB-CB 3.83Å; L691-N728 PolarHBondContact N-O 3.38Å; L691-Y729 HydrophobicContact CB-CD2 4.23Å; L691-Y729 HydrophobicContact CD2-CD2 4.12Å; L691-Y729 HydrophobicContact CD2-CE2 4.27Å; L691-Y729 HydrophobicContact CG-CD2 4.24Å; L691-Y729 HydrophobicContact CG-CE2 4.47Å; L691-Y729 CarbonylContact O-C 3.54Å; L691-Y729 WeakPolarHBondContact O-CA 3.41Å; L691-L730 PolarHBondContact O-N 3.31Å; L691-I751 HydrophobicContact CB-CD1 4.27Å; L691-I751 HydrophobicContact CD2-CD1 4.45Å
692	E	88.9	Confident	70.8	Confident	8 Å²	8	65.2 Å²	65.2	4%	0.037	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	101.4	-175.5	-177.5	-173.4	-163.5	0	0	109.9	Q694 R712 K713 S714 V715 L730	E692-Q694 VanDerWaalsContact CD-NE2 3.26Å; E692-Q694 HydrophobicContact CG-CG 3.96Å; E692-Q694 PolarHBondContact O-N 3.34Å; E692-Q694 PolarHBondContact OE1-NE2 3.11Å; E692-R712 IonicContact OE1-NH1 3.83Å; E692-R712 PolarHBondContact OE1-NH1 3.34Å; E692-R712 WeakPolarHBondContact OE2-CD 3.43Å; E692-R712 IonicContact OE2-CZ 3.66Å; E692-R712 IonicContact OE2-NE 3.18Å; E692-R712 IonicContact OE2-NH1 2.71Å; E692-R712 PolarHBondContact OE2-NH1 3.37Å; E692-K713 PolarHBondContact N-O 3.03Å; E692-S714 CarbonylContact O-C 3.49Å; E692-S714 VanDerWaalsContact O-CA 3.27Å; E692-S714 WeakPolarHBondContact O-CA 3.49Å; E692-S714 PolarHBondContact OE2-OG 3.13Å; E692-V715 PolarHBondContact O-N 3.34Å; E692-L730 CarbonylContact C-O 3.56Å; E692-L730 WeakPolarHBondContact CA-O 3.48Å; E692-L730 HydrophobicContact CG-CD2 4.13Å; E692-L730 HydrophobicContact CG-CG 4.37Å
693	H	89.1	Confident	71.1	Confident	31 Å²	31	66.6 Å²	66.6	14%	0.144	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	113.1	173.6	-169.6	159.5	0	0	0	108.8	V715 V718 Y729 L730 L731 H732	H693-V715 WeakPolarHBondContact CA-O 3.37Å; H693-V718 HydrophobicContact CB-CG2 4.02Å; H693-V718 VanDerWaalsContact ND1-CG2 3.3Å; H693-V718 WeakPolarHBondContact ND1-CG2 3.44Å; H693-Y729 HydrophobicContact CB-CE2 4.36Å; H693-Y729 AromaticContact ND1-CZ 3.99Å; H693-Y729 PolarHBondContact ND1-OH 3.1Å; H693-L730 PolarHBondContact N-O 3.4Å; H693-L731 HydrophobicContact CB-CD1 3.93Å; H693-H732 PolarHBondContact O-N 2.86Å
694	Q	83.6	Confident	71.1	Confident	51 Å²	51	69.6 Å²	69.6	24%	0.238	41%	0.412	C	S	.	.			trans	-111.6	149.9	173.9	-60.2	-168.8	-3.5	0	0	111.4	E692 N698 V715 T716 H732	E692-Q694 VanDerWaalsContact CD-NE2 3.26Å; E692-Q694 HydrophobicContact CG-CG 3.96Å; E692-Q694 PolarHBondContact O-N 3.34Å; E692-Q694 PolarHBondContact OE1-NE2 3.11Å; Q694-N698 PolarHBondContact OE1-ND2 3.01Å; Q694-V715 PolarHBondContact N-O 2.63Å; Q694-T716 WeakPolarHBondContact O-CA 3.42Å; Q694-H732 HydrophobicContact CG-CB 4.19Å
695	E	76	Confident	71.2	Confident	67 Å²	67	72.7 Å²	72.7	31%	0.313	42%	0.42	S	S	.	.			trans	-70.4	150	171.6	-70.1	165	154.8	0	0	111.1	N697 N698 H733 Q734	E695-N697 VanDerWaalsContact C-N 3.25Å; E695-N697 PolarHBondContact O-N 2.76Å; E695-N698 PolarHBondContact O-N 3.31Å; E695-H733 IonicContact OE1-CE1 2.77Å; E695-H733 IonicContact OE1-CG 3.58Å; E695-H733 IonicContact OE1-ND1 2.76Å; E695-H733 PolarHBondContact OE1-ND1 3.32Å; E695-H733 WeakPolarHBondContact OE2-CA 3.18Å; E695-Q734 PolarHBondContact OE2-N 3.42Å
696	V	74.4	Confident	71.5	Confident	117 Å²	117	73.4 Å²	73.4	71%	0.709	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-36.5	-174.8	-176	0	0	0	0	112.2	T716	V696-T716 HydrophobicContact CG2-CG2 4.41Å
697	N	71.7	Confident	71.7	Confident	148 Å²	148	69.7 Å²	69.7	79%	0.791	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	51.9	-177.3	-63.3	-8.2	0	0	0	111.1	E695	E695-N697 VanDerWaalsContact C-N 3.25Å; E695-N697 PolarHBondContact O-N 2.76Å
698	N	70.7	Confident	71.6	Confident	38 Å²	38	69.5 Å²	69.5	20%	0.203	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-70.8	126.1	-178.3	-172	16.7	0	0	0	112.3	Q694 E695 P700 H732 Q734	Q694-N698 PolarHBondContact OE1-ND2 3.01Å; E695-N698 PolarHBondContact O-N 3.31Å; N698-P700 WeakPolarHBondContact O-CD 3.48Å; N698-H732 PolarHBondContact ND2-CE1 2.58Å; N698-H732 PolarHBondContact OD1-CE1 3.07Å; N698-H732 PolarHBondContact OD1-ND1 3.41Å; N698-Q734 VanDerWaalsContact OD1-CD 3.3Å; N698-Q734 PolarHBondContact OD1-NE2 3.16Å; N698-Q734 PolarHBondContact OD1-OE1 3.06Å
699	T	68.3	Low	71.7	Confident	74 Å²	74	69 Å²	69	45%	0.454	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-75.9	122.8	175.3	-44.1	0	0	0	0	109.6	L701 Q734	T699-L701 PolarHBondContact O-N 2.91Å; T699-L701 VanDerWaalsContact O-N 3.16Å; T699-Q734 PolarHBondContact O-NE2 2.85Å; T699-Q734 PolarHBondContact OG1-OE1 3.46Å
700	P	67.8	Low	71.1	Confident	117 Å²	117	69.5 Å²	69.5	76%	0.76	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-58.1	120.4	-178.3	-25.8	34.9	0	0	0	112.2	N698 G702	N698-P700 WeakPolarHBondContact O-CD 3.48Å; P700-G702 PolarHBondContact O-N 2.93Å
701	L	63.2	Low	70.8	Confident	23 Å²	23	73.8 Å²	73.8	12%	0.12	41%	0.413	C	S	.	.			trans	-62.1	-19.7	-169.9	-89.6	-179	0	0	0	116	T699 T703 T706 T744 L769	T699-L701 PolarHBondContact O-N 2.91Å; T699-L701 VanDerWaalsContact O-N 3.16Å; L701-T703 WeakPolarHBondContact O-CG2 3.5Å; L701-T703 PolarHBondContact O-N 3.26Å; L701-T703 PolarHBondContact O-OG1 2.67Å; L701-T706 HydrophobicContact CB-CG2 3.92Å; L701-T706 HydrophobicContact CD1-CG2 3.79Å; L701-T744 HydrophobicContact CD1-CG2 4.22Å; L701-T744 HydrophobicContact CD2-CG2 4.01Å; L701-T744 VanDerWaalsContact CD2-OG1 3.3Å; L701-T744 WeakPolarHBondContact CD2-OG1 3.45Å; L701-T744 HydrophobicContact CG-CG2 4.45Å; L701-L769 HydrophobicContact CD2-CD2 3.65Å
702	G	57.9	Low	70.5	Confident	86 Å²	86	80.1 Å²	80.1	89%	0.887	44%	0.437	S	S	*	.			trans	60.1	-9.4	176.7	0	0	0	0	0	117.4	P700	P700-G702 PolarHBondContact O-N 2.93Å
703	T	57.4	Low	70.5	Confident	44 Å²	44	84.8 Å²	84.8	27%	0.27	46%	0.457	S	S	.	.	S	Bend	trans	-101.8	147.7	-167	53.5	0	0	0	0	114.1	L701 F705 T706 L769	L701-T703 WeakPolarHBondContact O-CG2 3.5Å; L701-T703 PolarHBondContact O-N 3.26Å; L701-T703 PolarHBondContact O-OG1 2.67Å; T703-F705 PolarHBondContact O-N 3.16Å; T703-T706 PolarHBondContact O-N 2.74Å; T703-T706 PolarHBondContact O-OG1 3.34Å; T703-L769 HydrophobicContact CG2-CD2 4.18Å
704	L	51.6	Low	70.4	Confident	168 Å²	168	86.1 Å²	86.1	88%	0.88	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-1.2	169.9	-68.2	165.7	0	0	0	114.6
705	F	52.2	Low	70.7	Confident	87 Å²	87	84.6 Å²	84.6	38%	0.382	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	5.9	-175	-66.6	-74.7	0	0	0	113.9	T703 L769 P839	T703-F705 PolarHBondContact O-N 3.16Å; F705-L769 HydrophobicContact CB-CD1 4.42Å; F705-P839 HydrophobicContact CD2-CG 4.03Å; F705-P839 HydrophobicContact CE2-CG 3.82Å; F705-P839 HydrophobicContact CZ-CG 4.46Å
706	T	63	Low	71.1	Confident	75 Å²	75	85.6 Å²	85.6	46%	0.46	47%	0.474	S	S	.	.	S	Bend	trans	-61	138	171.1	36.4	0	0	0	0	111.7	L701 T703 N708	L701-T706 HydrophobicContact CB-CG2 3.92Å; L701-T706 HydrophobicContact CD1-CG2 3.79Å; T703-T706 PolarHBondContact O-N 2.74Å; T703-T706 PolarHBondContact O-OG1 3.34Å; T706-N708 PolarHBondContact O-N 3.01Å
707	P	63	Low	71.6	Confident	22 Å²	22	88.5 Å²	88.5	14%	0.143	47%	0.473	C	S	.	.			trans	-71.8	120.7	-179.7	28.2	-33.8	0	0	0	111	L709 L730 L746	P707-L709 HydrophobicContact CB-CD2 4.29Å; P707-L709 HydrophobicContact CB-CG 4.49Å; P707-L709 PolarHBondContact O-N 3.49Å; P707-L709 VanDerWaalsContact O-N 3.16Å; P707-L730 HydrophobicContact CG-CD2 4.11Å; P707-L746 HydrophobicContact CG-CD1 4.25Å
708	N	67.3	Low	72.1	Confident	134 Å²	134	81.6 Å²	81.6	72%	0.717	44%	0.436	S	S	*	.			trans	-77.3	100.3	175.6	-173.4	-11.8	0	0	0	110.4	T706	T706-N708 PolarHBondContact O-N 3.01Å
709	L	75.3	Confident	72.5	Confident	10 Å²	10	82.4 Å²	82.4	5%	0.052	44%	0.439	C	S	.	.			trans	-101.3	103.2	179.9	-55.3	-177.8	0	0	0	110.2	W690 P707 H711 R712 L730	W690-L709 HydrophobicContact CB-CD1 4Å; W690-L709 HydrophobicContact CD2-CD1 4.12Å; W690-L709 HydrophobicContact CD2-CD2 3.77Å; W690-L709 HydrophobicContact CD2-CG 4.5Å; W690-L709 HydrophobicContact CE3-CD1 4.26Å; W690-L709 HydrophobicContact CE3-CD2 4.24Å; W690-L709 HydrophobicContact CG-CB 4.42Å; W690-L709 HydrophobicContact CG-CD1 4.02Å; W690-L709 HydrophobicContact CG-CD2 4.03Å; W690-L709 HydrophobicContact CG-CG 4.38Å; W690-L709 HydrophobicContact CZ2-CD2 4.26Å; P707-L709 HydrophobicContact CB-CD2 4.29Å; P707-L709 HydrophobicContact CB-CG 4.49Å; P707-L709 PolarHBondContact O-N 3.49Å; P707-L709 VanDerWaalsContact O-N 3.16Å; L709-H711 PolarHBondContact O-N 2.99Å; L709-R712 HydrophobicContact CB-CB 4.04Å; L709-R712 HydrophobicContact CB-CG 4.21Å; L709-R712 HydrophobicContact CD1-CB 4.41Å; L709-L730 HydrophobicContact CD1-CD2 3.85Å
710	K	72.9	Confident	73	Confident	147 Å²	147	80.6 Å²	80.6	64%	0.639	43%	0.426	S	S	*	.	S	Bend	trans	-56.8	-48.3	-177	-70.8	-174.6	173.8	-175.7	0	113.6	D686	D686-K710 IonicContact OD1-NZ 3.53Å; D686-K710 PolarHBondContact OD1-NZ 3.5Å
711	H	82.2	Confident	73.7	Confident	100 Å²	100	80.7 Å²	80.7	46%	0.463	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	93.7	-179.9	-61.3	-58.6	0	0	0	109.3	D686 R689 W690 L709	D686-H711 PolarHBondContact O-CD2 3.07Å; R689-H711 WeakPolarHBondContact CA-O 3.24Å; W690-H711 PolarHBondContact N-O 3.2Å; L709-H711 PolarHBondContact O-N 2.99Å
712	R	85.2	Confident	74.8	Confident	136 Å²	136	80.1 Å²	80.1	51%	0.513	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	150.6	177.1	59.7	162	168	-177.9	-3.4	113.1	W690 E692 L709	W690-R712 HydrophobicContact CB-CB 4.09Å; W690-R712 CarbonylContact O-C 3.54Å; W690-R712 VanDerWaalsContact O-CA 3.26Å; W690-R712 WeakPolarHBondContact O-CA 3.45Å; E692-R712 IonicContact OE1-NH1 3.83Å; E692-R712 PolarHBondContact OE1-NH1 3.34Å; E692-R712 WeakPolarHBondContact OE2-CD 3.43Å; E692-R712 IonicContact OE2-CZ 3.66Å; E692-R712 IonicContact OE2-NE 3.18Å; E692-R712 IonicContact OE2-NH1 2.71Å; E692-R712 PolarHBondContact OE2-NH1 3.37Å; L709-R712 HydrophobicContact CB-CB 4.04Å; L709-R712 HydrophobicContact CB-CG 4.21Å; L709-R712 HydrophobicContact CD1-CB 4.41Å
713	K	87.7	Confident	76	Confident	106 Å²	106	76.2 Å²	76.2	46%	0.461	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	122	159.1	-176.6	-179.5	-178.2	178.7	0	107.9	W690 L691 E692 V715 D722	W690-K713 PolarHBondContact O-N 3.48Å; L691-K713 HydrophobicContact CD1-CB 4.41Å; E692-K713 PolarHBondContact N-O 3.03Å; K713-V715 HydrophobicContact CD-CG1 4.37Å; K713-V715 HydrophobicContact CG-CG1 4.22Å; K713-D722 IonicContact NZ-OD1 3.24Å; K713-D722 PolarHBondContact NZ-OD1 3.41Å
714	S	88.2	Confident	77.1	Confident	58 Å²	58	79.1 Å²	79.1	41%	0.406	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	137.2	176.9	-43	0	0	0	0	110.1	E692	E692-S714 CarbonylContact O-C 3.49Å; E692-S714 VanDerWaalsContact O-CA 3.27Å; E692-S714 WeakPolarHBondContact O-CA 3.49Å; E692-S714 PolarHBondContact OE2-OG 3.13Å
715	V	87.9	Confident	78.6	Confident	19 Å²	19	76 Å²	76	12%	0.115	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	147.5	-176.6	-63	0	0	0	0	111.6	L691 E692 H693 Q694 K713 V718	L691-V715 HydrophobicContact CD1-CG1 4.02Å; L691-V715 HydrophobicContact CD1-CG2 3.74Å; L691-V715 HydrophobicContact CG-CG2 4.32Å; E692-V715 PolarHBondContact O-N 3.34Å; H693-V715 WeakPolarHBondContact CA-O 3.37Å; Q694-V715 PolarHBondContact N-O 2.63Å; K713-V715 HydrophobicContact CD-CG1 4.37Å; K713-V715 HydrophobicContact CG-CG1 4.22Å; V715-V718 HydrophobicContact CG2-CG2 3.7Å
716	T	85.5	Confident	80.2	Confident	88 Å²	88	72.5 Å²	72.5	54%	0.54	36%	0.355	S	S	.	.	S	Bend	trans	-99	-14.3	171.8	51.4	0	0	0	0	113.4	Q694 V696	Q694-T716 WeakPolarHBondContact O-CA 3.42Å; V696-T716 HydrophobicContact CG2-CG2 4.41Å
717	R	84.2	Confident	81.2	Confident	178 Å²	178	72.9 Å²	72.9	67%	0.672	35%	0.354	S	S	*	.	S	Bend	trans	-137.1	127.2	167.5	-171.2	178.4	82.6	168	4.1	108.1	E719	R717-E719 IonicContact CZ-OE1 2.65Å; R717-E719 IonicContact NE-OE1 3.38Å; R717-E719 IonicContact NH2-OE1 2.93Å; R717-E719 PolarHBondContact NH2-OE1 2.92Å
718	V	82.2	Confident	82.4	Confident	3 Å²	3	73.5 Å²	73.5	2%	0.018	36%	0.356	C	S	.	.			trans	-88.2	126.6	-179	177.1	0	0	0	0	110.1	L691 H693 V715 T723 Y729 I853	L691-V718 HydrophobicContact CD2-CG1 3.85Å; H693-V718 HydrophobicContact CB-CG2 4.02Å; H693-V718 VanDerWaalsContact ND1-CG2 3.3Å; H693-V718 WeakPolarHBondContact ND1-CG2 3.44Å; V715-V718 HydrophobicContact CG2-CG2 3.7Å; V718-T723 HydrophobicContact CG1-CG2 3.75Å; V718-Y729 HydrophobicContact CG1-CE2 4.41Å; V718-Y729 HydrophobicContact CG2-CE2 3.9Å; V718-I853 HydrophobicContact CB-CD1 4.04Å; V718-I853 HydrophobicContact CG1-CD1 3.35Å
719	E	80.5	Confident	83.5	Confident	56 Å²	56	67.1 Å²	67.1	26%	0.262	32%	0.322	S	S	.	.			trans	-111.3	155.1	171.8	-62.8	-177.7	-176.5	0	0	111.1	R717 K721 D722 T723	R717-E719 IonicContact CZ-OE1 2.65Å; R717-E719 IonicContact NE-OE1 3.38Å; R717-E719 IonicContact NH2-OE1 2.93Å; R717-E719 PolarHBondContact NH2-OE1 2.92Å; E719-K721 HydrophobicContact CB-CD 4.36Å; E719-K721 HydrophobicContact CB-CG 4.16Å; E719-K721 PolarHBondContact O-N 3.31Å; E719-K721 VanDerWaalsContact O-N 3.11Å; E719-K721 WeakPolarHBondContact OE2-CE 3.48Å; E719-K721 IonicContact OE2-NZ 3.91Å; E719-K721 PolarHBondContact OE2-NZ 3.38Å; E719-D722 PolarHBondContact N-OD2 2.85Å; E719-D722 VanDerWaalsContact N-OD2 3.12Å; E719-D722 WeakPolarHBondContact O-CB 3.48Å; E719-D722 PolarHBondContact O-N 3.4Å; E719-T723 PolarHBondContact O-N 2.78Å
720	L	77.8	Confident	84.1	Confident	35 Å²	35	66.7 Å²	66.7	18%	0.183	32%	0.32	C	S	.	.	H	α-helix	trans	-56.8	-31.5	-177.4	-179.5	61.7	0	0	0	112.8	D722 T723 L724	L720-D722 PolarHBondContact O-N 3.01Å; L720-T723 PolarHBondContact O-N 3.38Å; L720-T723 PolarHBondContact O-OG1 2.86Å; L720-T723 VanDerWaalsContact O-OG1 3.07Å; L720-L724 HydrophobicContact CD1-CD1 4.47Å; L720-L724 HydrophobicContact CD1-CG 4.32Å; L720-L724 HydrophobicContact CG-CD1 4.05Å; L720-L724 HydrophobicContact CG-CG 4.38Å; L720-L724 WeakPolarHBondContact O-CB 3.47Å; L720-L724 VanDerWaalsContact O-CG 3.24Å; L720-L724 WeakPolarHBondContact O-CG 3.4Å; L720-L724 PolarHBondContact O-N 3.02Å; L720-L724 VanDerWaalsContact O-N 3.07Å
721	K	83.5	Confident	84.8	Confident	120 Å²	120	61.6 Å²	61.6	52%	0.522	30%	0.299	S	S	.	.	H	α-helix	trans	-61.9	-25.5	174.8	76.4	-163.4	-174	-160.4	0	113.4	E719 N725	E719-K721 HydrophobicContact CB-CD 4.36Å; E719-K721 HydrophobicContact CB-CG 4.16Å; E719-K721 PolarHBondContact O-N 3.31Å; E719-K721 VanDerWaalsContact O-N 3.11Å; E719-K721 WeakPolarHBondContact OE2-CE 3.48Å; E719-K721 IonicContact OE2-NZ 3.91Å; E719-K721 PolarHBondContact OE2-NZ 3.38Å; K721-N725 PolarHBondContact O-ND2 3.23Å
722	D	85.6	Confident	84.9	Confident	11 Å²	11	57.2 Å²	57.2	6%	0.059	28%	0.279	C	S	.	.	H	α-helix	trans	-84.9	-41.8	-178.7	-53.4	-48.2	0	0	0	110.6	L691 K713 E719 L720 L724 N725	L691-D722 HydrophobicContact CD1-CB 3.8Å; L691-D722 HydrophobicContact CD2-CB 3.74Å; L691-D722 HydrophobicContact CG-CB 4.45Å; K713-D722 IonicContact NZ-OD1 3.24Å; K713-D722 PolarHBondContact NZ-OD1 3.41Å; E719-D722 PolarHBondContact N-OD2 2.85Å; E719-D722 VanDerWaalsContact N-OD2 3.12Å; E719-D722 WeakPolarHBondContact O-CB 3.48Å; E719-D722 PolarHBondContact O-N 3.4Å; L720-D722 PolarHBondContact O-N 3.01Å; D722-L724 VanDerWaalsContact C-N 3.35Å; D722-N725 PolarHBondContact O-N 2.8Å
723	T	83.3	Confident	84.9	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.018	27%	0.269	C	S	.	.	H	α-helix	trans	-69	-31.7	176.2	55.2	0	0	0	0	112.8	L691 V718 E719 L720 N725 A726 I751 S759 I853	L691-T723 HydrophobicContact CD2-CG2 3.7Å; V718-T723 HydrophobicContact CG1-CG2 3.75Å; E719-T723 PolarHBondContact O-N 2.78Å; L720-T723 PolarHBondContact O-N 3.38Å; L720-T723 PolarHBondContact O-OG1 2.86Å; L720-T723 VanDerWaalsContact O-OG1 3.07Å; T723-N725 PolarHBondContact O-N 3.25Å; T723-A726 PolarHBondContact O-N 3.42Å; T723-I751 HydrophobicContact CG2-CD1 4.22Å; T723-S759 WeakPolarHBondContact CB-OG 3.42Å; T723-S759 WeakPolarHBondContact OG1-CB 3.19Å; T723-S759 PolarHBondContact OG1-OG 2.85Å; T723-I853 HydrophobicContact CG2-CD1 4.05Å
724	L	80.7	Confident	84.6	Confident	106 Å²	106	50.2 Å²	50.2	56%	0.555	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-14.9	173.9	-72.9	170.5	0	0	0	113.9	L720 D722	L720-L724 HydrophobicContact CD1-CD1 4.47Å; L720-L724 HydrophobicContact CD1-CG 4.32Å; L720-L724 HydrophobicContact CG-CD1 4.05Å; L720-L724 HydrophobicContact CG-CG 4.38Å; L720-L724 WeakPolarHBondContact O-CB 3.47Å; L720-L724 VanDerWaalsContact O-CG 3.24Å; L720-L724 WeakPolarHBondContact O-CG 3.4Å; L720-L724 PolarHBondContact O-N 3.02Å; L720-L724 VanDerWaalsContact O-N 3.07Å; D722-L724 VanDerWaalsContact C-N 3.35Å
725	N	82.2	Confident	84.3	Confident	103 Å²	103	51.2 Å²	51.2	55%	0.551	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	2.5	-177	-80.2	-68.8	0	0	0	114.2	R689 K721 D722 T723	R689-N725 WeakPolarHBondContact CD-O 3.43Å; R689-N725 PolarHBondContact NH1-O 2.94Å; K721-N725 PolarHBondContact O-ND2 3.23Å; D722-N725 PolarHBondContact O-N 2.8Å; T723-N725 PolarHBondContact O-N 3.25Å
726	A	85.4	Confident	83.9	Confident	13 Å²	13	54 Å²	54	11%	0.107	28%	0.277	C	S	.	.			trans	-129.9	143.2	-176.5	0	0	0	0	0	112.3	R689 L691 T723 I751	R689-A726 HydrophobicContact CB-CB 4.39Å; L691-A726 HydrophobicContact CB-CB 3.83Å; T723-A726 PolarHBondContact O-N 3.42Å; A726-I751 HydrophobicContact CB-CD1 3.95Å
727	D	85.4	Confident	83.2	Confident	83 Å²	83	51.2 Å²	51.2	44%	0.444	26%	0.259	S	S	.	.	S	Bend	trans	-89	-31.8	-179.2	-43.1	-72	0	0	0	111.6	R689 I751	R689-D727 WeakPolarHBondContact CB-OD2 3.47Å; R689-D727 PolarHBondContact N-OD2 3.31Å; R689-D727 PolarHBondContact O-N 3.21Å; D727-I751 PolarHBondContact O-N 2.84Å
728	N	88.4	Confident	82.9	Confident	34 Å²	34	48.4 Å²	48.4	18%	0.182	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	154.4	-174.4	-60.4	-87.1	0	0	0	111	R689 W690 L691 G749	R689-N728 PolarHBondContact O-N 3.49Å; W690-N728 CarbonylContact C-O 3.53Å; W690-N728 WeakPolarHBondContact CA-O 3.32Å; W690-N728 HydrophobicContact CD2-CB 3.58Å; W690-N728 HydrophobicContact CE3-CB 3.54Å; W690-N728 HydrophobicContact CG-CB 4.23Å; W690-N728 HydrophobicContact CH2-CB 3.9Å; W690-N728 HydrophobicContact CZ2-CB 3.94Å; W690-N728 HydrophobicContact CZ3-CB 3.7Å; L691-N728 PolarHBondContact N-O 3.38Å; N728-G749 CarbonylContact C-O 3.46Å; N728-G749 WeakPolarHBondContact CA-O 3.22Å
729	Y	89.1	Confident	82.5	Confident	1 Å²	1	54.4 Å²	54.4	0%	0.004	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.9	-177.9	-172.8	-92.2	0	0	0	109.8	L691 H693 V718 L731 K748 G749 I751 V761 F763	L691-Y729 HydrophobicContact CB-CD2 4.23Å; L691-Y729 HydrophobicContact CD2-CD2 4.12Å; L691-Y729 HydrophobicContact CD2-CE2 4.27Å; L691-Y729 HydrophobicContact CG-CD2 4.24Å; L691-Y729 HydrophobicContact CG-CE2 4.47Å; L691-Y729 CarbonylContact O-C 3.54Å; L691-Y729 WeakPolarHBondContact O-CA 3.41Å; H693-Y729 HydrophobicContact CB-CE2 4.36Å; H693-Y729 AromaticContact ND1-CZ 3.99Å; H693-Y729 PolarHBondContact ND1-OH 3.1Å; V718-Y729 HydrophobicContact CG1-CE2 4.41Å; V718-Y729 HydrophobicContact CG2-CE2 3.9Å; Y729-L731 HydrophobicContact CE1-CB 3.96Å; Y729-K748 CarbonylContact O-C 3.44Å; Y729-K748 WeakPolarHBondContact O-CA 3.43Å; Y729-G749 PolarHBondContact N-O 3.05Å; Y729-G749 PolarHBondContact O-N 2.8Å; Y729-I751 HydrophobicContact CD2-CD1 4.28Å; Y729-V761 HydrophobicContact CD1-CB 4.49Å; Y729-V761 HydrophobicContact CD1-CG1 3.65Å; Y729-V761 HydrophobicContact CD1-CG2 4.13Å; Y729-V761 HydrophobicContact CD2-CG2 3.82Å; Y729-V761 HydrophobicContact CE1-CG1 4.34Å; Y729-V761 HydrophobicContact CE1-CG2 4.42Å; Y729-V761 HydrophobicContact CE2-CG2 4.15Å; Y729-V761 HydrophobicContact CG-CB 4.48Å; Y729-V761 HydrophobicContact CG-CG1 3.82Å; Y729-V761 HydrophobicContact CG-CG2 3.79Å; Y729-F763 AromaticContact CD1-CE1 3.84Å; Y729-F763 HydrophobicContact CD1-CE1 3.84Å; Y729-F763 AromaticContact CD1-CZ 3.94Å; Y729-F763 HydrophobicContact CD1-CZ 3.94Å; Y729-F763 HydrophobicContact CE1-CE1 4.06Å; Y729-F763 AromaticContact CE1-CZ 3.79Å; Y729-F763 HydrophobicContact CE1-CZ 3.79Å
730	L	88.5	Confident	82.2	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	121	172.7	170.8	59.5	0	0	0	108.3	W690 L691 E692 H693 P707 L709 L746 F747 K748	W690-L730 HydrophobicContact CE3-CB 4.16Å; W690-L730 HydrophobicContact CZ3-CB 4.4Å; L691-L730 PolarHBondContact O-N 3.31Å; E692-L730 CarbonylContact C-O 3.56Å; E692-L730 WeakPolarHBondContact CA-O 3.48Å; E692-L730 HydrophobicContact CG-CD2 4.13Å; E692-L730 HydrophobicContact CG-CG 4.37Å; H693-L730 PolarHBondContact N-O 3.4Å; P707-L730 HydrophobicContact CG-CD2 4.11Å; L709-L730 HydrophobicContact CD1-CD2 3.85Å; L730-L746 HydrophobicContact CD1-CB 3.9Å; L730-L746 HydrophobicContact CD1-CD2 4.33Å; L730-F747 WeakPolarHBondContact CA-O 3.2Å; L730-K748 HydrophobicContact CD1-CG 3.79Å
731	L	87.4	Confident	82	Confident	39 Å²	39	54.3 Å²	54.3	20%	0.204	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	124.6	167.3	176.9	64.8	0	0	0	109.3	H693 Y729 L746 F747 F763	H693-L731 HydrophobicContact CB-CD1 3.93Å; Y729-L731 HydrophobicContact CE1-CB 3.96Å; L731-L746 WeakPolarHBondContact O-CA 3.5Å; L731-F747 HydrophobicContact CB-CB 4.26Å; L731-F747 HydrophobicContact CB-CD2 4.47Å; L731-F747 HydrophobicContact CD2-CD2 4.24Å; L731-F747 HydrophobicContact CG-CD2 4.39Å; L731-F747 PolarHBondContact N-O 2.76Å; L731-F747 PolarHBondContact O-N 2.98Å; L731-F763 HydrophobicContact CB-CE1 4.32Å
732	H	85	Confident	81.6	Confident	9 Å²	9	51.3 Å²	51.3	4%	0.042	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	118.1	174.2	-167.3	-66	0	0	0	108.8	H693 Q694 N698 T744 L746	H693-H732 PolarHBondContact O-N 2.86Å; Q694-H732 HydrophobicContact CG-CB 4.19Å; N698-H732 PolarHBondContact ND2-CE1 2.58Å; N698-H732 PolarHBondContact OD1-CE1 3.07Å; N698-H732 PolarHBondContact OD1-ND1 3.41Å; H732-T744 WeakPolarHBondContact CE1-CG2 3.33Å; H732-L746 HydrophobicContact CB-CD2 4.23Å; H732-L746 WeakPolarHBondContact CD2-CD2 3.43Å
733	H	83.7	Confident	81.3	Confident	64 Å²	64	52.8 Å²	52.8	30%	0.296	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	131.3	-177.3	176.5	45.3	0	0	0	110	E695 T744 S745 F747	E695-H733 IonicContact OE1-CE1 2.77Å; E695-H733 IonicContact OE1-CG 3.58Å; E695-H733 IonicContact OE1-ND1 2.76Å; E695-H733 PolarHBondContact OE1-ND1 3.32Å; E695-H733 WeakPolarHBondContact OE2-CA 3.18Å; H733-T744 CarbonylContact O-C 3.59Å; H733-T744 WeakPolarHBondContact O-CA 3.42Å; H733-S745 PolarHBondContact N-O 2.76Å; H733-S745 PolarHBondContact O-N 3.06Å; H733-F747 HydrophobicContact CB-CE2 4.06Å
734	Q	83.2	Confident	81.1	Confident	30 Å²	30	52.8 Å²	52.8	14%	0.14	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.5	175.3	-66.6	-170.3	-30.2	0	0	111.8	E695 N698 T699 V742 T744	E695-Q734 PolarHBondContact OE2-N 3.42Å; N698-Q734 VanDerWaalsContact OD1-CD 3.3Å; N698-Q734 PolarHBondContact OD1-NE2 3.16Å; N698-Q734 PolarHBondContact OD1-OE1 3.06Å; T699-Q734 PolarHBondContact O-NE2 2.85Å; T699-Q734 PolarHBondContact OG1-OE1 3.46Å; Q734-V742 HydrophobicContact CB-CG1 4.48Å; Q734-V742 HydrophobicContact CG-CG1 4.46Å; Q734-T744 HydrophobicContact CG-CG2 4.07Å; Q734-T744 WeakPolarHBondContact CG-OG1 3.44Å; Q734-T744 PolarHBondContact NE2-OG1 2.86Å
735	E	81.2	Confident	81.3	Confident	80 Å²	80	47.9 Å²	47.9	37%	0.374	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	152.1	171.9	66.7	-171.5	149.4	0	0	109.9	K743	E735-K743 HydrophobicContact CG-CB 4.1Å; E735-K743 HydrophobicContact CG-CD 4.03Å; E735-K743 HydrophobicContact CG-CG 4.34Å; E735-K743 PolarHBondContact N-O 3.44Å; E735-K743 PolarHBondContact O-N 3.27Å; E735-K743 WeakPolarHBondContact OE1-CD 3.35Å; E735-K743 VanDerWaalsContact OE1-CE 3.25Å; E735-K743 WeakPolarHBondContact OE1-CE 3.37Å; E735-K743 IonicContact OE1-NZ 3.13Å; E735-K743 PolarHBondContact OE1-NZ 3.14Å
736	A	79	Confident	81.3	Confident	77 Å²	77	43.4 Å²	43.4	64%	0.636	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	134.2	166.9	0	0	0	0	0	109.1	N741	A736-N741 WeakPolarHBondContact CA-O 3.33Å
737	D	71.9	Confident	81.2	Confident	30 Å²	30	45.7 Å²	45.7	16%	0.16	27%	0.27	C	S	.	.			trans	-83	177.7	171	71.2	20.6	0	0	0	112.8	D739 G740 N741 R770	D737-D739 PolarHBondContact O-N 2.93Å; D737-D739 VanDerWaalsContact O-N 3.08Å; D737-D739 PolarHBondContact OD1-N 3.25Å; D737-G740 PolarHBondContact O-N 3.07Å; D737-N741 PolarHBondContact N-O 3.43Å; D737-N741 PolarHBondContact OD1-N 3.05Å; D737-N741 VanDerWaalsContact OD1-N 3.1Å; D737-R770 IonicContact OD2-NH1 2.8Å; D737-R770 PolarHBondContact OD2-NH1 2.72Å
738	S	76.1	Confident	81.1	Confident	119 Å²	119	42 Å²	42	83%	0.832	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-20.6	-176	46.7	0	0	0	0	114.5
739	D	74.6	Confident	80.9	Confident	129 Å²	129	40.6 Å²	40.6	69%	0.69	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	4.8	179.2	-60.3	-56.1	0	0	0	112	D737 N741	D737-D739 PolarHBondContact O-N 2.93Å; D737-D739 VanDerWaalsContact O-N 3.08Å; D737-D739 PolarHBondContact OD1-N 3.25Å; D739-N741 VanDerWaalsContact C-N 3.33Å; D739-N741 VanDerWaalsContact CB-ND2 3.32Å; D739-N741 WeakPolarHBondContact CB-ND2 3.31Å
740	G	73.3	Confident	80.7	Confident	60 Å²	60	41.9 Å²	41.9	62%	0.619	25%	0.254	S	S	*	.	S	Bend	trans	79.8	7.2	-178.4	0	0	0	0	0	114.6	D737	D737-G740 PolarHBondContact O-N 3.07Å
741	N	74.7	Confident	80.5	Confident	28 Å²	28	42.9 Å²	42.9	15%	0.15	26%	0.259	C	S	.	.			trans	-83.4	151.3	-179.6	-59.6	-84.3	0	0	0	110.9	A736 D737 D739 K743 Q771 S773	A736-N741 WeakPolarHBondContact CA-O 3.33Å; D737-N741 PolarHBondContact N-O 3.43Å; D737-N741 PolarHBondContact OD1-N 3.05Å; D737-N741 VanDerWaalsContact OD1-N 3.1Å; D739-N741 VanDerWaalsContact C-N 3.33Å; D739-N741 VanDerWaalsContact CB-ND2 3.32Å; D739-N741 WeakPolarHBondContact CB-ND2 3.31Å; N741-K743 PolarHBondContact O-N 3.47Å; N741-Q771 WeakPolarHBondContact CB-O 3.46Å; N741-Q771 PolarHBondContact OD1-O 3.13Å; N741-S773 PolarHBondContact OD1-N 3.36Å; N741-S773 PolarHBondContact OD1-OG 3.29Å
742	V	74.2	Confident	80.3	Confident	57 Å²	57	43.6 Å²	43.6	35%	0.345	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	121.2	176.5	-175.3	0	0	0	0	110.1	Q734 Q771	Q734-V742 HydrophobicContact CB-CG1 4.48Å; Q734-V742 HydrophobicContact CG-CG1 4.46Å; V742-Q771 PolarHBondContact O-N 3.32Å
743	K	80.4	Confident	80	Confident	42 Å²	42	48 Å²	48	18%	0.183	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	115.5	170.5	177.5	-171.8	168.2	-152.1	0	108.5	E735 N741 V768 L769 R770	E735-K743 HydrophobicContact CG-CB 4.1Å; E735-K743 HydrophobicContact CG-CD 4.03Å; E735-K743 HydrophobicContact CG-CG 4.34Å; E735-K743 PolarHBondContact N-O 3.44Å; E735-K743 PolarHBondContact O-N 3.27Å; E735-K743 WeakPolarHBondContact OE1-CD 3.35Å; E735-K743 VanDerWaalsContact OE1-CE 3.25Å; E735-K743 WeakPolarHBondContact OE1-CE 3.37Å; E735-K743 IonicContact OE1-NZ 3.13Å; E735-K743 PolarHBondContact OE1-NZ 3.14Å; N741-K743 PolarHBondContact O-N 3.47Å; K743-V768 HydrophobicContact CD-CG1 4.2Å; K743-V768 HydrophobicContact CG-CG1 3.76Å; K743-L769 WeakPolarHBondContact CA-O 3.2Å; K743-R770 HydrophobicContact CB-CG 4.49Å; K743-R770 HydrophobicContact CG-CG 4.17Å
744	T	79.1	Confident	79.5	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.018	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	130.6	175.6	-57.5	0	0	0	0	110.2	L701 H732 H733 Q734 L746 V768 L769	L701-T744 HydrophobicContact CD1-CG2 4.22Å; L701-T744 HydrophobicContact CD2-CG2 4.01Å; L701-T744 VanDerWaalsContact CD2-OG1 3.3Å; L701-T744 WeakPolarHBondContact CD2-OG1 3.45Å; L701-T744 HydrophobicContact CG-CG2 4.45Å; H732-T744 WeakPolarHBondContact CE1-CG2 3.33Å; H733-T744 CarbonylContact O-C 3.59Å; H733-T744 WeakPolarHBondContact O-CA 3.42Å; Q734-T744 HydrophobicContact CG-CG2 4.07Å; Q734-T744 WeakPolarHBondContact CG-OG1 3.44Å; Q734-T744 PolarHBondContact NE2-OG1 2.86Å; T744-L746 HydrophobicContact CG2-CD2 4.1Å; T744-L746 HydrophobicContact CG2-CG 4.49Å; T744-V768 WeakPolarHBondContact O-CA 3.49Å; T744-L769 PolarHBondContact N-O 3.15Å; T744-L769 PolarHBondContact O-N 2.89Å
745	S	83.9	Confident	78.9	Confident	4 Å²	4	51.5 Å²	51.5	3%	0.028	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.1	177.3	-58.6	0	0	0	0	110.6	H733 F747	H733-S745 PolarHBondContact N-O 2.76Å; H733-S745 PolarHBondContact O-N 3.06Å; S745-F747 VanDerWaalsContact CB-CE2 3.48Å
746	L	83.4	Confident	78.4	Confident	9 Å²	9	51.4 Å²	51.4	5%	0.047	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	91.8	-176.4	-61.8	-177.6	0	0	0	109.8	P707 L730 L731 H732 T744 V766 E767	P707-L746 HydrophobicContact CG-CD1 4.25Å; L730-L746 HydrophobicContact CD1-CB 3.9Å; L730-L746 HydrophobicContact CD1-CD2 4.33Å; L731-L746 WeakPolarHBondContact O-CA 3.5Å; H732-L746 HydrophobicContact CB-CD2 4.23Å; H732-L746 WeakPolarHBondContact CD2-CD2 3.43Å; T744-L746 HydrophobicContact CG2-CD2 4.1Å; T744-L746 HydrophobicContact CG2-CG 4.49Å; L746-V766 WeakPolarHBondContact O-CA 3.29Å; L746-E767 HydrophobicContact CB-CB 4.25Å; L746-E767 PolarHBondContact N-O 3.44Å; L746-E767 PolarHBondContact O-N 3.39Å; L746-E767 VanDerWaalsContact O-N 3.11Å
747	F	83.6	Confident	78.1	Confident	60 Å²	60	50.2 Å²	50.2	26%	0.263	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	120.2	-178.2	-53.4	-99.5	0	0	0	110.5	L730 L731 H733 S745 F763 V766	L730-F747 WeakPolarHBondContact CA-O 3.2Å; L731-F747 HydrophobicContact CB-CB 4.26Å; L731-F747 HydrophobicContact CB-CD2 4.47Å; L731-F747 HydrophobicContact CD2-CD2 4.24Å; L731-F747 HydrophobicContact CG-CD2 4.39Å; L731-F747 PolarHBondContact N-O 2.76Å; L731-F747 PolarHBondContact O-N 2.98Å; H733-F747 HydrophobicContact CB-CE2 4.06Å; S745-F747 VanDerWaalsContact CB-CE2 3.48Å; F747-F763 HydrophobicContact CB-CD1 3.64Å; F747-F763 HydrophobicContact CB-CE1 3.65Å; F747-V766 HydrophobicContact CB-CG2 4.48Å; F747-V766 HydrophobicContact CD1-CB 4.33Å; F747-V766 HydrophobicContact CD1-CG1 3.77Å; F747-V766 HydrophobicContact CD1-CG2 3.53Å; F747-V766 HydrophobicContact CE1-CG1 3.92Å; F747-V766 HydrophobicContact CE1-CG2 4.15Å; F747-V766 HydrophobicContact CG-CG1 4.24Å; F747-V766 HydrophobicContact CG-CG2 4.31Å
748	K	83.4	Confident	78.3	Confident	6 Å²	6	49.3 Å²	49.3	3%	0.026	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.6	-174.4	-64.8	168.9	-165.1	179.8	0	110.9	S680 S682 W690 Y729 L730 F763 N764 D765 E767	S680-K748 PolarHBondContact OG-NZ 2.94Å; S682-K748 PolarHBondContact OG-NZ 3.25Å; W690-K748 HydrophobicContact CZ3-CG 4.37Å; Y729-K748 CarbonylContact O-C 3.44Å; Y729-K748 WeakPolarHBondContact O-CA 3.43Å; L730-K748 HydrophobicContact CD1-CG 3.79Å; K748-F763 WeakPolarHBondContact O-CA 3.48Å; K748-N764 PolarHBondContact O-N 3.17Å; K748-D765 HydrophobicContact CB-CB 4.28Å; K748-D765 PolarHBondContact N-O 2.94Å; K748-D765 PolarHBondContact O-N 2.86Å; K748-E767 IonicContact NZ-OE1 3.63Å; K748-E767 PolarHBondContact NZ-OE1 2.96Å; K748-E767 IonicContact NZ-OE2 2.68Å; K748-E767 PolarHBondContact NZ-OE2 2.98Å
749	G	83.8	Confident	78.4	Confident	4 Å²	4	43.8 Å²	43.8	4%	0.041	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	161.9	-178.6	0	0	0	0	0	113.7	N728 Y729 V762	N728-G749 CarbonylContact C-O 3.46Å; N728-G749 WeakPolarHBondContact CA-O 3.22Å; Y729-G749 PolarHBondContact N-O 3.05Å; Y729-G749 PolarHBondContact O-N 2.8Å; G749-V762 CarbonylContact C-O 3.59Å; G749-V762 WeakPolarHBondContact CA-O 3.28Å
750	A	84.2	Confident	78.7	Confident	29 Å²	29	38.4 Å²	38.4	24%	0.24	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	141.6	167.8	0	0	0	0	0	109.2	V762 N764	A750-V762 PolarHBondContact N-O 2.86Å; A750-V762 PolarHBondContact O-N 3.39Å; A750-N764 PolarHBondContact N-ND2 2.73Å
751	I	85.5	Confident	79.1	Confident	21 Å²	21	35.6 Å²	35.6	11%	0.108	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	132.5	172.7	-54	-173.5	0	0	0	108.1	L691 T723 A726 D727 Y729 V761	L691-I751 HydrophobicContact CB-CD1 4.27Å; L691-I751 HydrophobicContact CD2-CD1 4.45Å; T723-I751 HydrophobicContact CG2-CD1 4.22Å; A726-I751 HydrophobicContact CB-CD1 3.95Å; D727-I751 PolarHBondContact O-N 2.84Å; Y729-I751 HydrophobicContact CD2-CD1 4.28Å; I751-V761 HydrophobicContact CG1-CG2 4.48Å
752	I	82.2	Confident	79.3	Confident	54 Å²	54	35 Å²	35	28%	0.277	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127.4	-178.9	-50.1	-174.2	0	0	0	108.8	A760 V762	I752-A760 PolarHBondContact N-O 3.44Å; I752-A760 PolarHBondContact O-N 2.8Å; I752-V762 HydrophobicContact CD1-CB 4.34Å; I752-V762 HydrophobicContact CD1-CG2 3.58Å; I752-V762 HydrophobicContact CG1-CG2 4.19Å
753	P	79.6	Confident	79.6	Confident	103 Å²	103	33.3 Å²	33.3	67%	0.669	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	144.4	172.9	27.9	-34.2	0	0	0	110.9
754	T	72.6	Confident	79.4	Confident	57 Å²	57	35.7 Å²	35.7	35%	0.35	25%	0.251	S	S	.	.			trans	-105	153.2	178.9	70.4	0	0	0	0	111.1	G756 G757 G758 A760	T754-G756 PolarHBondContact O-N 3.25Å; T754-G757 PolarHBondContact O-N 3.39Å; T754-G758 WeakPolarHBondContact CB-O 3.34Å; T754-G758 PolarHBondContact N-O 3.3Å; T754-G758 VanDerWaalsContact OG1-C 3.28Å; T754-G758 PolarHBondContact OG1-N 3.19Å; T754-G758 PolarHBondContact OG1-O 3.33Å; T754-A760 HydrophobicContact CG2-CB 3.62Å
755	A	70.2	Confident	79	Confident	110 Å²	110	37.6 Å²	37.6	91%	0.909	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-19.1	179.3	0	0	0	0	0	114.2
756	G	71.5	Confident	78.8	Confident	78 Å²	78	37.9 Å²	37.9	80%	0.804	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	4.7	174.2	0	0	0	0	0	115.1	T754 G758	T754-G756 PolarHBondContact O-N 3.25Å; G756-G758 VanDerWaalsContact C-N 3.33Å; G756-G758 PolarHBondContact O-N 3.34Å
757	G	71.6	Confident	78.3	Confident	52 Å²	52	39.3 Å²	39.3	54%	0.536	27%	0.269	S	S	.	.	S	Bend	trans	85.2	-8.3	179.8	0	0	0	0	0	115.9	T754	T754-G757 PolarHBondContact O-N 3.39Å
758	G	75.7	Confident	77.9	Confident	10 Å²	10	37.4 Å²	37.4	10%	0.103	26%	0.262	C	S	.	.			trans	-79.7	175	168.9	0	0	0	0	0	112.7	T754 G756 I853	T754-G758 WeakPolarHBondContact CB-O 3.34Å; T754-G758 PolarHBondContact N-O 3.3Å; T754-G758 VanDerWaalsContact OG1-C 3.28Å; T754-G758 PolarHBondContact OG1-N 3.19Å; T754-G758 PolarHBondContact OG1-O 3.33Å; G756-G758 VanDerWaalsContact C-N 3.33Å; G756-G758 PolarHBondContact O-N 3.34Å; G758-I853 WeakPolarHBondContact CA-O 3.44Å
759	S	79.7	Confident	77.3	Confident	3 Å²	3	38.5 Å²	38.5	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	148.3	173	-56.3	0	0	0	0	111.7	T723 I853	T723-S759 WeakPolarHBondContact CB-OG 3.42Å; T723-S759 WeakPolarHBondContact OG1-CB 3.19Å; T723-S759 PolarHBondContact OG1-OG 2.85Å; S759-I853 PolarHBondContact N-O 2.85Å; S759-I853 PolarHBondContact O-N 3.36Å
760	A	80.4	Confident	76.5	Confident	17 Å²	17	43.4 Å²	43.4	14%	0.14	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126	172.9	0	0	0	0	0	110.9	I752 T754 I851	I752-A760 PolarHBondContact N-O 3.44Å; I752-A760 PolarHBondContact O-N 2.8Å; T754-A760 HydrophobicContact CG2-CB 3.62Å; A760-I851 WeakPolarHBondContact CA-O 3.47Å
761	V	82.5	Confident	75.6	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	128.1	172.2	-178.3	0	0	0	0	109.4	Y729 I751 F763 Y850 I851	Y729-V761 HydrophobicContact CD1-CB 4.49Å; Y729-V761 HydrophobicContact CD1-CG1 3.65Å; Y729-V761 HydrophobicContact CD1-CG2 4.13Å; Y729-V761 HydrophobicContact CD2-CG2 3.82Å; Y729-V761 HydrophobicContact CE1-CG1 4.34Å; Y729-V761 HydrophobicContact CE1-CG2 4.42Å; Y729-V761 HydrophobicContact CE2-CG2 4.15Å; Y729-V761 HydrophobicContact CG-CB 4.48Å; Y729-V761 HydrophobicContact CG-CG1 3.82Å; Y729-V761 HydrophobicContact CG-CG2 3.79Å; I751-V761 HydrophobicContact CG1-CG2 4.48Å; V761-F763 HydrophobicContact CB-CE2 4.49Å; V761-F763 HydrophobicContact CG1-CD1 4.4Å; V761-F763 HydrophobicContact CG1-CD2 4.27Å; V761-F763 HydrophobicContact CG1-CE1 4.09Å; V761-F763 HydrophobicContact CG1-CE2 3.94Å; V761-F763 HydrophobicContact CG1-CG 4.5Å; V761-F763 HydrophobicContact CG1-CZ 3.85Å; V761-Y850 WeakPolarHBondContact O-CA 3.33Å; V761-I851 PolarHBondContact N-O 2.64Å; V761-I851 PolarHBondContact O-N 3.12Å
762	V	78	Confident	74.4	Confident	14 Å²	14	51.4 Å²	51.4	9%	0.085	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	104.6	172.5	-175.2	0	0	0	0	109	G749 A750 I752 N764 Y850	G749-V762 CarbonylContact C-O 3.59Å; G749-V762 WeakPolarHBondContact CA-O 3.28Å; A750-V762 PolarHBondContact N-O 2.86Å; A750-V762 PolarHBondContact O-N 3.39Å; I752-V762 HydrophobicContact CD1-CB 4.34Å; I752-V762 HydrophobicContact CD1-CG2 3.58Å; I752-V762 HydrophobicContact CG1-CG2 4.19Å; V762-N764 PolarHBondContact O-ND2 3.34Å; V762-Y850 HydrophobicContact CG1-CE1 4.4Å; V762-Y850 HydrophobicContact CG2-CD1 3.92Å; V762-Y850 HydrophobicContact CG2-CE1 3.6Å
763	F	80.4	Confident	73.2	Confident	22 Å²	22	52.9 Å²	52.9	10%	0.096	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	133.4	175.8	-65	-79.4	0	0	0	111.2	Y729 L731 F747 K748 V761 C849 I851	Y729-F763 AromaticContact CD1-CE1 3.84Å; Y729-F763 HydrophobicContact CD1-CE1 3.84Å; Y729-F763 AromaticContact CD1-CZ 3.94Å; Y729-F763 HydrophobicContact CD1-CZ 3.94Å; Y729-F763 HydrophobicContact CE1-CE1 4.06Å; Y729-F763 AromaticContact CE1-CZ 3.79Å; Y729-F763 HydrophobicContact CE1-CZ 3.79Å; L731-F763 HydrophobicContact CB-CE1 4.32Å; F747-F763 HydrophobicContact CB-CD1 3.64Å; F747-F763 HydrophobicContact CB-CE1 3.65Å; K748-F763 WeakPolarHBondContact O-CA 3.48Å; V761-F763 HydrophobicContact CB-CE2 4.49Å; V761-F763 HydrophobicContact CG1-CD1 4.4Å; V761-F763 HydrophobicContact CG1-CD2 4.27Å; V761-F763 HydrophobicContact CG1-CE1 4.09Å; V761-F763 HydrophobicContact CG1-CE2 3.94Å; V761-F763 HydrophobicContact CG1-CG 4.5Å; V761-F763 HydrophobicContact CG1-CZ 3.85Å; F763-C849 HydrophobicContact CD2-CB 4.13Å; F763-I851 HydrophobicContact CE2-CD1 3.78Å; F763-I851 HydrophobicContact CE2-CG1 4.06Å; F763-I851 HydrophobicContact CZ-CD1 3.96Å
764	N	76.6	Confident	72	Confident	93 Å²	93	54.5 Å²	54.5	50%	0.497	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	-20.7	-172.2	-65.3	-55.9	0	0	0	113.5	K748 A750 V762	K748-N764 PolarHBondContact O-N 3.17Å; A750-N764 PolarHBondContact N-ND2 2.73Å; V762-N764 PolarHBondContact O-ND2 3.34Å
765	D	71.4	Confident	71	Confident	42 Å²	42	55.9 Å²	55.9	23%	0.225	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	150.1	-173.6	-166.3	8	0	0	0	109.4	S680 K748	S680-D765 WeakPolarHBondContact CB-OD2 3.48Å; K748-D765 HydrophobicContact CB-CB 4.28Å; K748-D765 PolarHBondContact N-O 2.94Å; K748-D765 PolarHBondContact O-N 2.86Å
766	V	77.8	Confident	69.5	Low	11 Å²	11	60.5 Å²	60.5	7%	0.067	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	125.7	178	-173.4	0	0	0	0	108.9	L746 F747 V768 T846	L746-V766 WeakPolarHBondContact O-CA 3.29Å; F747-V766 HydrophobicContact CB-CG2 4.48Å; F747-V766 HydrophobicContact CD1-CB 4.33Å; F747-V766 HydrophobicContact CD1-CG1 3.77Å; F747-V766 HydrophobicContact CD1-CG2 3.53Å; F747-V766 HydrophobicContact CE1-CG1 3.92Å; F747-V766 HydrophobicContact CE1-CG2 4.15Å; F747-V766 HydrophobicContact CG-CG1 4.24Å; F747-V766 HydrophobicContact CG-CG2 4.31Å; V766-V768 HydrophobicContact CG1-CG2 4.42Å; V766-T846 WeakPolarHBondContact CG2-OG1 3.25Å
767	E	74.3	Confident	67.8	Low	39 Å²	39	65.6 Å²	65.6	18%	0.182	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	139.4	167.7	-72.2	170.8	172.9	0	0	109.7	S680 L746 K748	S680-E767 WeakPolarHBondContact CB-OE1 3.36Å; S680-E767 PolarHBondContact OG-OE1 3.14Å; L746-E767 HydrophobicContact CB-CB 4.25Å; L746-E767 PolarHBondContact N-O 3.44Å; L746-E767 PolarHBondContact O-N 3.39Å; L746-E767 VanDerWaalsContact O-N 3.11Å; K748-E767 IonicContact NZ-OE1 3.63Å; K748-E767 PolarHBondContact NZ-OE1 2.96Å; K748-E767 IonicContact NZ-OE2 2.68Å; K748-E767 PolarHBondContact NZ-OE2 2.98Å
768	V	74.3	Confident	66.2	Low	20 Å²	20	70.3 Å²	70.3	12%	0.121	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124	172.7	-179.7	0	0	0	0	108	K743 T744 V766 R770	K743-V768 HydrophobicContact CD-CG1 4.2Å; K743-V768 HydrophobicContact CG-CG1 3.76Å; T744-V768 WeakPolarHBondContact O-CA 3.49Å; V766-V768 HydrophobicContact CG1-CG2 4.42Å; V768-R770 HydrophobicContact CG1-CG 4.38Å
769	L	70.5	Confident	64.2	Low	28 Å²	28	80.6 Å²	80.6	15%	0.147	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	125.6	169.1	-167.5	82.9	0	0	0	108.3	L701 T703 F705 K743 T744 P839	L701-L769 HydrophobicContact CD2-CD2 3.65Å; T703-L769 HydrophobicContact CG2-CD2 4.18Å; F705-L769 HydrophobicContact CB-CD1 4.42Å; K743-L769 WeakPolarHBondContact CA-O 3.2Å; T744-L769 PolarHBondContact N-O 3.15Å; T744-L769 PolarHBondContact O-N 2.89Å; L769-P839 HydrophobicContact CD1-CG 4.49Å
770	R	68.3	Low	62	Low	107 Å²	107	90.6 Å²	90.6	40%	0.404	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.3	167.6	-67.2	179.3	-179.6	-96.6	10.8	108.6	D737 K743 V768	D737-R770 IonicContact OD2-NH1 2.8Å; D737-R770 PolarHBondContact OD2-NH1 2.72Å; K743-R770 HydrophobicContact CB-CG 4.49Å; K743-R770 HydrophobicContact CG-CG 4.17Å; V768-R770 HydrophobicContact CG1-CG 4.38Å
771	Q	64.7	Low	59.9	Low	120 Å²	120	95 Å²	95	56%	0.561	49%	0.493	S	S	*	.			trans	-110.7	97.1	173.5	179.8	176.7	-15	0	0	109.4	N741 V742	N741-Q771 WeakPolarHBondContact CB-O 3.46Å; N741-Q771 PolarHBondContact OD1-O 3.13Å; V742-Q771 PolarHBondContact O-N 3.32Å
772	S	59.3	Low	57.6	Low	98 Å²	98	99.8 Å²	99.8	69%	0.685	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-77.8	134.8	174.1	43.9	0	0	0	0	111.3	P774	S772-P774 WeakPolarHBondContact O-CD 3.37Å
773	S	58.1	Low	55.5	Low	85 Å²	85	108.9 Å²	108.9	59%	0.594	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-68.3	123.6	173.4	-60.5	0	0	0	0	111.2	N741 G775	N741-S773 PolarHBondContact OD1-N 3.36Å; N741-S773 PolarHBondContact OD1-OG 3.29Å; S773-G775 PolarHBondContact O-N 2.75Å
774	P	54.3	Low	53.4	Low	137 Å²	137	113.8 Å²	113.8	89%	0.89	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	134.9	174.6	-20.3	32.5	0	0	0	111.1	S772	S772-P774 WeakPolarHBondContact O-CD 3.37Å
775	G	51.5	Low	51.4	Low	86 Å²	86	119.9 Å²	119.9	89%	0.887	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	110.4	0.4	173.3	0	0	0	0	0	116.7	S773	S773-G775 PolarHBondContact O-N 2.75Å
776	R	38.1	Very low	49.6	Very low	208 Å²	208	121.8 Å²	121.8	79%	0.785	64%	0.641	S	S	*	*			trans	-121.6	54	173.7	-138.9	-179.4	-160.9	-158.4	7.2	114.2	Q778	R776-Q778 VanDerWaalsContact C-N 3.26Å; R776-Q778 PolarHBondContact O-N 3.1Å
777	E	35.8	Very low	47.5	Very low	185 Å²	185	125.8 Å²	125.8	86%	0.864	68%	0.676	S	S	*	*			trans	-61.7	93.1	155.3	-78.7	-155.1	139.9	0	0	109.4	R779	E777-R779 PolarHBondContact O-N 2.77Å
778	Q	39.2	Very low	45.6	Very low	151 Å²	151	131.9 Å²	131.9	71%	0.706	71%	0.71	S	S	*	*			trans	-65.2	95.6	155.3	-73.6	-160.7	9.4	0	0	107.7	R776 K780	R776-Q778 VanDerWaalsContact C-N 3.26Å; R776-Q778 PolarHBondContact O-N 3.1Å; Q778-K780 PolarHBondContact O-N 2.7Å; Q778-K780 VanDerWaalsContact O-N 3.07Å
779	R	33	Very low	43.8	Very low	226 Å²	226	135.8 Å²	135.8	85%	0.853	74%	0.744	S	S	*	*			trans	-40.6	119.6	161.5	-77.4	177.5	164.6	172.1	-5	107.7	E777 S781	E777-R779 PolarHBondContact O-N 2.77Å; R779-S781 VanDerWaalsContact C-N 3.29Å; R779-S781 PolarHBondContact O-N 2.84Å
780	K	34.1	Very low	42.1	Very low	212 Å²	212	143.5 Å²	143.5	92%	0.922	78%	0.779	S	S	*	*			trans	-60.4	93.4	176.3	-76.7	179.8	175.7	174.1	0	108.9	Q778 S782	Q778-K780 PolarHBondContact O-N 2.7Å; Q778-K780 VanDerWaalsContact O-N 3.07Å; K780-S782 PolarHBondContact O-N 2.75Å
781	S	36.6	Very low	40.4	Very low	111 Å²	111	146.3 Å²	146.3	78%	0.776	80%	0.801	S	S	*	*			trans	-69.3	102.2	-176	45.5	0	0	0	0	108.9	R779	R779-S781 VanDerWaalsContact C-N 3.29Å; R779-S781 PolarHBondContact O-N 2.84Å
782	S	34	Very low	38.9	Very low	100 Å²	100	150 Å²	150	70%	0.699	82%	0.815	S	S	*	*			trans	-55.9	141.9	173.2	59.3	0	0	0	0	110.8	K780	K780-S782 PolarHBondContact O-N 2.75Å
783	R	32.5	Very low	37.6	Very low	206 Å²	206	153.5 Å²	153.5	78%	0.777	82%	0.821	S	S	*	*			trans	74	93.4	172	-53.8	166	167.8	157.9	-3.9	116
784	S	36.6	Very low	36.3	Very low	125 Å²	125	155.2 Å²	155.2	87%	0.874	83%	0.827	S	S	*	*				-63	148	126.2	48.1	0	0	0	0	109.2
785	R	35.9	Very low	35.3	Very low	220 Å²	220	156.2 Å²	156.2	83%	0.83	82%	0.824	S	S	*	*			trans	-128	133.6	179.7	-90.7	178.4	159.8	175.3	-5.8	109
786	G	33.4	Very low	34.4	Very low	82 Å²	82	157.7 Å²	157.7	85%	0.845	82%	0.819	S	S	*	*			trans	80.6	138.5	176.3	0	0	0	0	0	112.7
787	A	33.6	Very low	34.1	Very low	95 Å²	95	156.3 Å²	156.3	79%	0.785	82%	0.821	S	S	*	*	S	Bend	cis	-130.6	-171.2	-6.8	0	0	0	0	0	110.3
788	D	33.3	Very low	34.2	Very low	168 Å²	168	152.8 Å²	152.8	90%	0.898	81%	0.814	S	S	*	*			trans	55.4	73.8	175.6	-62.5	-12.5	0	0	0	116.8
789	A	36.2	Very low	34.1	Very low	102 Å²	102	150.3 Å²	150.3	84%	0.843	81%	0.814	S	S	*	*			trans	-137	101	155.9	0	0	0	0	0	110.3
790	H	35	Very low	34.3	Very low	190 Å²	190	150.3 Å²	150.3	88%	0.88	81%	0.814	S	S	*	*			trans	-127.8	152.6	157.9	-134.2	-75.5	0	0	0	109
791	L	33.3	Very low	34.4	Very low	165 Å²	165	151.6 Å²	151.6	86%	0.864	81%	0.813	S	S	*	*			trans	69.6	79.7	178.7	-145.5	75.3	0	0	0	116.1
792	K	33.9	Very low	34.6	Very low	198 Å²	198	151.5 Å²	151.5	86%	0.861	81%	0.813	S	S	*	*			trans	-138.5	151.3	151.3	-121.6	-175.1	-175.6	-178.1	0	110.8
793	Q	31.9	Very low	34.9	Very low	172 Å²	172	149.9 Å²	149.9	80%	0.804	81%	0.812	S	S	*	*			trans	73	117.5	168	-69.5	-177.1	-100.1	0	0	120
794	V	31	Very low	35.3	Very low	121 Å²	121	148.2 Å²	148.2	73%	0.733	82%	0.816	S	S	*	*				54.4	122.7	119.5	-177.9	0	0	0	0	118.7
795	I	32.5	Very low	35.4	Very low	158 Å²	158	150.3 Å²	150.3	81%	0.81	81%	0.81	S	S	*	*			trans	-151.6	137.4	130	-100.7	147.7	0	0	0	107.8
796	C	32.4	Very low	35.6	Very low	117 Å²	117	149.9 Å²	149.9	79%	0.791	81%	0.808	S	S	*	*			trans	-96.9	144.7	162.3	-73	0	0	0	0	108.6
797	E	32.6	Very low	35.8	Very low	178 Å²	178	154.5 Å²	154.5	83%	0.832	80%	0.8	S	S	*	*	S	Bend	trans	68.2	159.2	165.3	-67.1	-166.7	170.6	0	0	117.8
798	P	36.7	Very low	36.1	Very low	111 Å²	111	158.9 Å²	158.9	72%	0.721	80%	0.798	S	S	*	*			trans	-120.4	166	-139.3	42.4	-33.9	0	0	0	117.1
799	S	36.9	Very low	36.4	Very low	100 Å²	100	154.9 Å²	154.9	70%	0.699	78%	0.783	S	S	*	*			trans	94.1	123.7	142.5	83.9	0	0	0	0	120.9
800	R	37.5	Very low	36.6	Very low	226 Å²	226	156.8 Å²	156.8	85%	0.853	78%	0.779	S	S	*	*			trans	70.9	108.3	143.8	-66.3	173.4	177	-163.9	-0.3	121.4
801	R	37.5	Very low	37	Very low	239 Å²	239	152.9 Å²	152.9	90%	0.902	77%	0.773	S	S	*	*			trans	67.6	154	139.7	-70.8	-178.1	175.6	177.1	-3	118.7
802	S	40.8	Very low	37.8	Very low	109 Å²	109	150.8 Å²	150.8	76%	0.762	77%	0.769	S	S	*	*			cis	-174.7	134.1	-32.8	49.9	0	0	0	0	111.1
803	G	38.7	Very low	38.7	Very low	66 Å²	66	146.6 Å²	146.6	68%	0.68	76%	0.762	S	S	*	*			trans	123	118	147.3	0	0	0	0	0	120
804	I	42.5	Very low	39	Very low	170 Å²	170	150.5 Å²	150.5	87%	0.872	77%	0.769	S	S	*	*				66.9	147.9	127.7	-66.1	158.6	0	0	0	120.3
805	K	38.9	Very low	39.4	Very low	170 Å²	170	155.8 Å²	155.8	74%	0.739	78%	0.776	S	S	*	*			cis	-176.9	149.8	-42.3	-137	171	-175.4	167.7	0	109.7
806	R	39.1	Very low	40	Very low	211 Å²	211	153.4 Å²	153.4	80%	0.796	77%	0.771	S	S	*	*			trans	77.1	160.2	160	-57.9	165.2	171.3	164.9	-4.5	118.9
807	R	37.7	Very low	40.3	Very low	178 Å²	178	152.3 Å²	152.3	67%	0.672	77%	0.765	S	S	*	*			cis	-175.2	167.1	-32.5	-96.9	-168	-174.1	163.1	-1.4	109.2
808	Y	39.9	Very low	40.6	Very low	188 Å²	188	150.1 Å²	150.1	74%	0.737	76%	0.759	S	S	*	*			trans	76.5	157.1	154.9	-60.7	-59.7	0	0	0	119.8
809	S	40	Very low	40.7	Very low	84 Å²	84	152.7 Å²	152.7	59%	0.587	76%	0.761	S	S	*	*			cis	-176.6	165	-44	50.8	0	0	0	0	113.5
810	N	39.1	Very low	40.8	Very low	141 Å²	141	152.5 Å²	152.5	75%	0.754	76%	0.76	S	S	*	*			trans	98.5	105.6	153.6	-58.1	-17.2	0	0	0	122.9
811	S	43.5	Very low	40.8	Very low	109 Å²	109	147.5 Å²	147.5	76%	0.762	75%	0.754	S	S	*	*				71.1	137.3	119.5	-52.4	0	0	0	0	125.5
812	P	51.4	Low	40.7	Very low	120 Å²	120	141 Å²	141	78%	0.779	75%	0.745	S	S	*	*			trans	-118.5	-143	171.9	47	-34.8	0	0	0	111.3
813	P	51.6	Low	40.4	Very low	110 Å²	110	140.9 Å²	140.9	71%	0.714	74%	0.74	S	S	*	*			cis	-133.3	-170.1	-26.2	42.1	-25.2	0	0	0	114.3
814	R	38.9	Very low	40.4	Very low	255 Å²	255	145.7 Å²	145.7	96%	0.962	74%	0.744	S	S	*	*			trans	-165.9	170.3	150.1	-109.4	163.1	-161.3	-102.5	2.2	114.5
815	R	40.2	Very low	39.9	Very low	231 Å²	231	142.6 Å²	142.6	87%	0.872	74%	0.738	S	S	*	*			trans	-149.8	170.6	-172.1	-136.6	-168.5	-165.7	-159.4	4	112
816	P	44.3	Very low	39.7	Very low	109 Å²	109	139.5 Å²	139.5	71%	0.708	74%	0.738	S	S	*	*				-142	-105.7	104.6	35.7	-16.7	0	0	0	118.2
817	S	39.4	Very low	39.2	Very low	94 Å²	94	138.4 Å²	138.4	66%	0.657	74%	0.742	S	S	*	*			trans	-160.2	-166.1	-147.1	54.8	0	0	0	0	116.9
818	N	38.9	Very low	39	Very low	132 Å²	132	136 Å²	136	71%	0.706	75%	0.752	S	S	*	*			trans	79.5	157.6	171.4	-55.8	48	0	0	0	117.6
819	E	37.5	Very low	38.4	Very low	165 Å²	165	133.2 Å²	133.2	77%	0.771	76%	0.755	S	S	*	*				178.7	163.7	-51.3	-99.2	161.8	84.5	0	0	109.4
820	S	39	Very low	38.1	Very low	95 Å²	95	138.5 Å²	138.5	66%	0.664	77%	0.773	S	S	*	*			cis	-166.6	-174.8	-11.6	60.5	0	0	0	0	111.9
821	V	38	Very low	37.5	Very low	122 Å²	122	136.7 Å²	136.7	74%	0.739	78%	0.777	S	S	*	*			trans	54.8	96.1	159.2	-176.3	0	0	0	0	121.4
822	S	34.5	Very low	37	Very low	102 Å²	102	136.4 Å²	136.4	71%	0.713	78%	0.775	S	S	*	*			trans	31.2	-171.9	135	65.4	0	0	0	0	123.2
823	T	36.2	Very low	35.9	Very low	106 Å²	106	138.6 Å²	138.6	65%	0.65	78%	0.78	S	S	*	*			cis	-160.7	163.5	13.2	-21.6	0	0	0	0	114.1
824	H	37.1	Very low	34.8	Very low	168 Å²	168	144.5 Å²	144.5	78%	0.778	79%	0.79	S	S	*	*			trans	59.4	116.6	157.4	-77.3	-66.2	0	0	0	124.3
825	S	32.3	Very low	34.2	Very low	105 Å²	105	137.7 Å²	137.7	73%	0.734	78%	0.78	S	S	*	*			trans	49.1	138.4	135.6	66.7	0	0	0	0	121.7
826	S	34.5	Very low	33.7	Very low	105 Å²	105	132 Å²	132	73%	0.734	77%	0.773	S	S	*	*			cis	-157.2	159.9	32.1	-70.6	0	0	0	0	114.5
827	Q	30	Very low	33	Very low	188 Å²	188	134.8 Å²	134.8	88%	0.879	78%	0.78	S	S	*	*			trans	31.1	116.8	151.3	-62.6	-179.2	0.6	0	0	121.4
828	S	31.9	Very low	32.4	Very low	127 Å²	127	134.7 Å²	134.7	89%	0.888	78%	0.78	S	S	*	*				-170	170.4	121.4	47.7	0	0	0	0	111.3
829	T	29.1	Very low	32.1	Very low	130 Å²	130	130.9 Å²	130.9	80%	0.798	76%	0.762	S	S	*	*			trans	-97.2	135.1	-164	50.1	0	0	0	0	115
830	M	32.2	Very low	31.7	Very low	195 Å²	195	128.1 Å²	128.1	96%	0.961	76%	0.761	S	S	*	*			trans	-142.5	153.9	144	-85.6	-58.1	163.9	0	0	109.7
831	A	27.6	Very low	31.4	Very low	103 Å²	103	128.5 Å²	128.5	85%	0.851	76%	0.755	S	S	*	*			trans	-104.7	141.1	-172	0	0	0	0	0	112.9
832	S	32.1	Very low	31.1	Very low	103 Å²	103	128.4 Å²	128.4	72%	0.72	75%	0.746	S	S	*	*			trans	-154.6	118.1	169.2	61.2	0	0	0	0	112.1
833	D	28.6	Very low	30.8	Very low	166 Å²	166	130.2 Å²	130.2	89%	0.888	74%	0.741	S	S	*	*			trans	31.3	88.6	151.6	-55.9	-19	0	0	0	119.4
834	Y	27.9	Very low	30.6	Very low	233 Å²	233	129.8 Å²	129.8	91%	0.914	73%	0.734	S	S	*	*			trans	-89.6	102.9	164.6	-119.6	-90.1	0	0	0	111.2
835	C	26.7	Very low	30.4	Very low	112 Å²	112	128 Å²	128	76%	0.757	74%	0.74	S	S	*	*			trans	-96	115.5	173.1	-166.6	0	0	0	0	110.5	I837	C835-I837 PolarHBondContact O-N 2.99Å
836	P	30.2	Very low	30.4	Very low	112 Å²	112	126.9 Å²	126.9	73%	0.727	73%	0.729	S	S	*	*			trans	-78	105.7	-172.7	29.7	-34.1	0	0	0	112.1	S838	P836-S838 PolarHBondContact O-N 2.87Å
837	I	29.4	Very low	30.5	Very low	167 Å²	167	124.2 Å²	124.2	86%	0.856	71%	0.713	S	S	*	*			trans	-68.7	103.8	174.2	-56.8	177.3	0	0	0	109.6	C835	C835-I837 PolarHBondContact O-N 2.99Å
838	S	27.8	Very low	30.8	Very low	92 Å²	92	119.2 Å²	119.2	64%	0.643	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-74.2	134.1	173.5	57.8	0	0	0	0	111.5	P836	P836-S838 PolarHBondContact O-N 2.87Å
839	P	31.4	Very low	31.3	Very low	52 Å²	52	115 Å²	115	34%	0.338	66%	0.659	S	S	.	*	P	Polyproline II helix	trans	-66.5	145.7	178.7	28.1	-34.9	0	0	0	112.1	F705 L769 I841	F705-P839 HydrophobicContact CD2-CG 4.03Å; F705-P839 HydrophobicContact CE2-CG 3.82Å; F705-P839 HydrophobicContact CZ-CG 4.46Å; L769-P839 HydrophobicContact CD1-CG 4.49Å; P839-I841 PolarHBondContact O-N 3.22Å
840	S	30.1	Very low	32	Very low	108 Å²	108	111.9 Å²	111.9	76%	0.755	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-75.4	121.5	-180	40.2	0	0	0	0	112.1
841	I	31.5	Very low	33.1	Very low	102 Å²	102	103.1 Å²	103.1	52%	0.523	59%	0.59	S	S	.	*			trans	-97.5	102.7	178	-57.5	176.2	0	0	0	109.7	P839 K843	P839-I841 PolarHBondContact O-N 3.22Å; I841-K843 HydrophobicContact CG2-CG 4.5Å; I841-K843 PolarHBondContact O-N 3.37Å
842	E	31.8	Very low	33.9	Very low	120 Å²	120	99.6 Å²	99.6	56%	0.561	56%	0.564	S	S	*	*			trans	-79.5	108.9	167.6	-69.9	-168.7	123.2	0	0	110.7	I844	E842-I844 PolarHBondContact O-N 3.2Å
843	K	29.7	Very low	34.9	Very low	140 Å²	140	95 Å²	95	61%	0.609	53%	0.531	S	S	*	.			trans	-81.5	101.6	168.9	-76.1	-171.6	175.9	-178.2	0	110.4	I841	I841-K843 HydrophobicContact CG2-CG 4.5Å; I841-K843 PolarHBondContact O-N 3.37Å
844	I	31.4	Very low	35.8	Very low	98 Å²	98	90.3 Å²	90.3	50%	0.503	51%	0.506	S	S	.	.			trans	-92	113.6	175.7	-46.5	-179.8	0	0	0	109.9	E842 T846	E842-I844 PolarHBondContact O-N 3.2Å; I844-T846 HydrophobicContact CB-CG2 4.08Å; I844-T846 HydrophobicContact CG2-CG2 3.62Å; I844-T846 PolarHBondContact O-N 3.1Å
845	S	31.7	Very low	36.5	Very low	130 Å²	130	84.1 Å²	84.1	91%	0.909	50%	0.496	S	S	*	.			trans	-70.4	90.8	173.5	-172.8	0	0	0	0	110.4
846	T	32.5	Very low	37	Very low	82 Å²	82	85.6 Å²	85.6	50%	0.503	50%	0.497	S	S	.	.			trans	-99.7	161.4	-173.1	49.7	0	0	0	0	113.1	V766 I844	V766-T846 WeakPolarHBondContact CG2-OG1 3.25Å; I844-T846 HydrophobicContact CB-CG2 4.08Å; I844-T846 HydrophobicContact CG2-CG2 3.62Å; I844-T846 PolarHBondContact O-N 3.1Å
847	A	36.1	Very low	37.3	Very low	48 Å²	48	82.3 Å²	82.3	40%	0.397	48%	0.483	S	S	.	.			trans	-72.5	149.8	-171.8	0	0	0	0	0	113.5	C849	A847-C849 VanDerWaalsContact C-N 3.32Å; A847-C849 PolarHBondContact O-N 2.91Å
848	K	36.9	Very low	37.5	Very low	83 Å²	83	75.9 Å²	75.9	36%	0.361	46%	0.458	S	S	.	.			trans	-61.2	86.6	170.7	-66.4	174.1	-179.2	168.4	0	110.7	T228 I230 Y850	T228-K848 PolarHBondContact O-NZ 2.8Å; I230-K848 HydrophobicContact CG2-CD 4.24Å; K848-Y850 HydrophobicContact CB-CE2 4.08Å; K848-Y850 WeakPolarHBondContact O-CD2 3.47Å; K848-Y850 VanDerWaalsContact O-CE2 3.25Å; K848-Y850 WeakPolarHBondContact O-CE2 3.38Å
849	C	42	Very low	38.4	Very low	39 Å²	39	75.2 Å²	75.2	26%	0.264	45%	0.446	S	S	.	.			trans	-75.9	148.2	165.6	-81.9	0	0	0	0	110.4	F763 A847	F763-C849 HydrophobicContact CD2-CB 4.13Å; A847-C849 VanDerWaalsContact C-N 3.32Å; A847-C849 PolarHBondContact O-N 2.91Å
850	Y	43.8	Very low	38.8	Very low	65 Å²	65	74.7 Å²	74.7	26%	0.255	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	126	177.3	-63.6	-100.2	0	0	0	109.4	V761 V762 K848 R862	V761-Y850 WeakPolarHBondContact O-CA 3.33Å; V762-Y850 HydrophobicContact CG1-CE1 4.4Å; V762-Y850 HydrophobicContact CG2-CD1 3.92Å; V762-Y850 HydrophobicContact CG2-CE1 3.6Å; K848-Y850 HydrophobicContact CB-CE2 4.08Å; K848-Y850 WeakPolarHBondContact O-CD2 3.47Å; K848-Y850 VanDerWaalsContact O-CE2 3.25Å; K848-Y850 WeakPolarHBondContact O-CE2 3.38Å; Y850-R862 PolarHBondContact O-N 3.22Å
851	I	55.3	Low	39.3	Very low	11 Å²	11	75 Å²	75	6%	0.056	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	117.8	162.8	-60.9	174.3	0	0	0	106.2	A760 V761 F763 I853 M859 L861	A760-I851 WeakPolarHBondContact CA-O 3.47Å; V761-I851 PolarHBondContact N-O 2.64Å; V761-I851 PolarHBondContact O-N 3.12Å; F763-I851 HydrophobicContact CE2-CD1 3.78Å; F763-I851 HydrophobicContact CE2-CG1 4.06Å; F763-I851 HydrophobicContact CZ-CD1 3.96Å; I851-I853 HydrophobicContact CG2-CG1 4.13Å; I851-M859 HydrophobicContact CD1-CE 4.36Å; I851-M859 HydrophobicContact CG2-CB 4.38Å; I851-M859 HydrophobicContact CG2-CE 3.83Å; I851-L861 HydrophobicContact CG1-CD2 4.34Å; I851-L861 HydrophobicContact CG1-CG 4.24Å
852	G	44.7	Very low	39.6	Very low	29 Å²	29	78.3 Å²	78.3	30%	0.299	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	139.1	166	0	0	0	0	0	109.7	M859 G860	G852-M859 CarbonylContact O-C 3.34Å; G852-G860 PolarHBondContact N-O 2.81Å; G852-G860 VanDerWaalsContact N-O 3.07Å; G852-G860 PolarHBondContact O-N 3.1Å
853	I	53.8	Low	39.5	Very low	5 Å²	5	80.9 Å²	80.9	3%	0.026	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	117.3	171.9	-53	-169.7	0	0	0	107.6	V718 T723 G758 S759 I851 M859	V718-I853 HydrophobicContact CB-CD1 4.04Å; V718-I853 HydrophobicContact CG1-CD1 3.35Å; T723-I853 HydrophobicContact CG2-CD1 4.05Å; G758-I853 WeakPolarHBondContact CA-O 3.44Å; S759-I853 PolarHBondContact N-O 2.85Å; S759-I853 PolarHBondContact O-N 3.36Å; I851-I853 HydrophobicContact CG2-CG1 4.13Å; I853-M859 HydrophobicContact CD1-CE 4.4Å; I853-M859 HydrophobicContact CD1-CG 4.29Å; I853-M859 HydrophobicContact CG1-CG 4.27Å
854	D	46.7	Very low	39.6	Very low	69 Å²	69	78.7 Å²	78.7	37%	0.369	45%	0.446	S	S	.	.			trans	-89.7	178	-178.2	68.9	31	0	0	0	113.1	N856 G857 G858	D854-N856 PolarHBondContact O-N 2.9Å; D854-N856 VanDerWaalsContact OD1-CA 3.32Å; D854-N856 WeakPolarHBondContact OD1-CA 3.32Å; D854-N856 WeakPolarHBondContact OD1-CB 3.46Å; D854-N856 PolarHBondContact OD1-N 3.48Å; D854-G857 PolarHBondContact O-N 3.31Å; D854-G857 PolarHBondContact OD1-N 2.87Å; D854-G857 VanDerWaalsContact OD1-N 3.13Å; D854-G858 PolarHBondContact N-O 2.76Å; D854-G858 PolarHBondContact OD1-N 2.92Å
855	S	43.1	Very low	39.4	Very low	102 Å²	102	79.6 Å²	79.6	71%	0.713	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.6	178.5	53.1	0	0	0	0	114.5
856	N	37.7	Very low	39.2	Very low	144 Å²	144	80.9 Å²	80.9	77%	0.77	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	3.1	-173.3	-55.2	2.6	0	0	0	111.3	D854	D854-N856 PolarHBondContact O-N 2.9Å; D854-N856 VanDerWaalsContact OD1-CA 3.32Å; D854-N856 WeakPolarHBondContact OD1-CA 3.32Å; D854-N856 WeakPolarHBondContact OD1-CB 3.46Å; D854-N856 PolarHBondContact OD1-N 3.48Å
857	G	35.6	Very low	39.2	Very low	43 Å²	43	86.3 Å²	86.3	44%	0.443	48%	0.478	S	S	.	.			trans	82.1	9.7	-175.9	0	0	0	0	0	114.3	D854 M859	D854-G857 PolarHBondContact O-N 3.31Å; D854-G857 PolarHBondContact OD1-N 2.87Å; D854-G857 VanDerWaalsContact OD1-N 3.13Å; G857-M859 PolarHBondContact O-N 3.08Å
858	G	34.3	Very low	39.3	Very low	31 Å²	31	88.3 Å²	88.3	32%	0.32	48%	0.482	S	S	.	.			trans	-70.5	112.4	178	0	0	0	0	0	112.2	D854 G860	D854-G858 PolarHBondContact N-O 2.76Å; D854-G858 PolarHBondContact OD1-N 2.92Å; G858-G860 PolarHBondContact O-N 3.37Å
859	M	46.8	Very low	39.4	Very low	78 Å²	78	88.5 Å²	88.5	38%	0.384	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	91.3	172.3	-69.8	-172.8	72.4	0	0	111.1	I851 G852 I853 G857 L861	I851-M859 HydrophobicContact CD1-CE 4.36Å; I851-M859 HydrophobicContact CG2-CB 4.38Å; I851-M859 HydrophobicContact CG2-CE 3.83Å; G852-M859 CarbonylContact O-C 3.34Å; I853-M859 HydrophobicContact CD1-CE 4.4Å; I853-M859 HydrophobicContact CD1-CG 4.29Å; I853-M859 HydrophobicContact CG1-CG 4.27Å; G857-M859 PolarHBondContact O-N 3.08Å; M859-L861 PolarHBondContact O-N 3.35Å
860	G	40	Very low	39.3	Very low	41 Å²	41	91.3 Å²	91.3	42%	0.423	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	101.7	179.2	0	0	0	0	0	113.1	G852 G858 R862	G852-G860 PolarHBondContact N-O 2.81Å; G852-G860 VanDerWaalsContact N-O 3.07Å; G852-G860 PolarHBondContact O-N 3.1Å; G858-G860 PolarHBondContact O-N 3.37Å; G860-R862 PolarHBondContact O-N 3.07Å
861	L	39.4	Very low	39	Very low	116 Å²	116	92.8 Å²	92.8	61%	0.607	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	91	-179.1	-124.2	168.6	0	0	0	112	I851 M859 K863	I851-L861 HydrophobicContact CG1-CD2 4.34Å; I851-L861 HydrophobicContact CG1-CG 4.24Å; M859-L861 PolarHBondContact O-N 3.35Å; L861-K863 HydrophobicContact CD2-CG 4.3Å; L861-K863 PolarHBondContact O-N 2.9Å; L861-K863 VanDerWaalsContact O-N 3.09Å
862	R	37.8	Very low	38	Very low	170 Å²	170	97.9 Å²	97.9	64%	0.642	54%	0.544	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	78	173.1	-87.2	-172.7	167.8	-175.4	-1.9	111.1	Y850 G860 R864	Y850-R862 PolarHBondContact O-N 3.22Å; G860-R862 PolarHBondContact O-N 3.07Å; R862-R864 PolarHBondContact O-N 2.75Å
863	K	30.9	Very low	37.6	Very low	175 Å²	175	102.5 Å²	102.5	76%	0.761	56%	0.561	S	S	*	*			trans	-61.2	116.1	161.5	-83.8	-175.7	176.2	177.1	0	109.1	L861	L861-K863 HydrophobicContact CD2-CG 4.3Å; L861-K863 PolarHBondContact O-N 2.9Å; L861-K863 VanDerWaalsContact O-N 3.09Å
864	R	31.6	Very low	36.4	Very low	94 Å²	94	109.5 Å²	109.5	36%	0.355	60%	0.599	S	S	.	*			trans	-84.3	109	152.7	-99.8	-174.3	169.8	-93.2	-5.8	106.9	R380 R862	R380-R864 PolarHBondContact O-NH2 3Å; R862-R864 PolarHBondContact O-N 2.75Å
865	S	27	Very low	35.6	Very low	117 Å²	117	112.6 Å²	112.6	82%	0.818	62%	0.617	S	S	*	*			trans	-57.8	137.8	167	36.9	0	0	0	0	109.9
866	R	27.3	Very low	35	Very low	157 Å²	157	113.5 Å²	113.5	59%	0.592	61%	0.609	S	S	*	*			trans	-141.9	110.5	169.3	-102.1	-168.3	171.7	-168.8	-2.7	108.5	N209 S210	N209-R866 PolarHBondContact O-NH2 2.89Å; S210-R866 PolarHBondContact OG-NH2 2.86Å
867	V	31.6	Very low	34.8	Very low	196 Å²	196	110.7 Å²	110.7	100%	1.188	59%	0.594	S	S	*	*			trans	-128.7	0	143.7	178.4	0	0	0	0	105

Retrieved 867 of 867 residues in 228.4 ms (Link to these results)

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