A0A096NF46_PAPAN Loading...

PR domain zinc finger protein 13

AlphaFold DB , UniProt , Accession A0A096NF46, Species PAPAN (Papio anubis, Olive baboon), Gene PRDM13, Length 708 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	44.9	Very low	229 Å²	229	105.3 Å²	105.3	100%	1.128	64%	0.636	S	S	*	*				0	144	0	-61	172.9	-178	0	0	107.3
2	H	31.3	Very low	48.2	Very low	178 Å²	178	96.7 Å²	96.7	82%	0.824	58%	0.584	S	S	*	*			cis	-110.5	146	-2	-66.9	-104.6	0	0	0	110.5
3	G	31.2	Very low	51.2	Low	74 Å²	74	90.5 Å²	90.5	76%	0.763	55%	0.548	S	S	*	.			trans	-73.4	127.1	159.6	0	0	0	0	0	108.3	A5	G3-A5 PolarHBondContact O-N 2.74Å
4	A	32.9	Very low	53.8	Low	104 Å²	104	84.1 Å²	84.1	86%	0.86	51%	0.509	S	S	*	.			trans	-65.6	100.4	173.8	0	0	0	0	0	108.8	R6	A4-R6 PolarHBondContact O-N 2.87Å
5	A	35.8	Very low	56	Low	94 Å²	94	82.9 Å²	82.9	78%	0.777	50%	0.499	S	S	*	.			trans	-59.4	113.1	177.8	0	0	0	0	0	108.5	G3 A7	G3-A5 PolarHBondContact O-N 2.74Å; A5-A7 PolarHBondContact O-N 2.93Å
6	R	40	Very low	57.9	Low	249 Å²	249	79.9 Å²	79.9	94%	0.94	48%	0.482	S	S	*	.			trans	-63.4	105.2	-178.4	-165.7	176.9	-170.3	175.9	2.1	107.6	A4	A4-R6 PolarHBondContact O-N 2.87Å
7	A	38.9	Very low	59.6	Low	56 Å²	56	79.4 Å²	79.4	46%	0.463	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-54.9	141.7	-170.8	0	0	0	0	0	110.8	A5 A9 P43	A5-A7 PolarHBondContact O-N 2.93Å; A7-A9 PolarHBondContact O-N 3.01Å; A7-P43 HydrophobicContact CB-CB 3.83Å; A7-P43 HydrophobicContact CB-CG 3.75Å
8	P	48.3	Very low	61.2	Low	72 Å²	72	75 Å²	75	47%	0.468	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-62.2	127.1	-173.7	25.4	-33.8	0	0	0	110.2
9	A	58.1	Low	62.6	Low	63 Å²	63	73.9 Å²	73.9	52%	0.521	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-62.8	148.4	165.7	0	0	0	0	0	109.3	A7 S11	A7-A9 PolarHBondContact O-N 3.01Å; A9-S11 PolarHBondContact O-N 3.02Å
10	T	67.4	Low	63.9	Low	19 Å²	19	72.9 Å²	72.9	12%	0.117	45%	0.45	C	S	.	.			trans	-58.3	104.1	172	33.3	0	0	0	0	110.4	R41 G44	T10-R41 PolarHBondContact O-NH1 3.34Å; T10-R41 PolarHBondContact OG1-NH1 2.8Å; T10-G44 VanDerWaalsContact CG2-CA 3.49Å
11	S	74.7	Confident	64.9	Low	20 Å²	20	71.6 Å²	71.6	14%	0.14	45%	0.451	C	S	.	.			trans	-109.4	136.9	176.2	60.9	0	0	0	0	110	A9 K46 K47 E106	A9-S11 PolarHBondContact O-N 3.02Å; S11-K46 WeakPolarHBondContact O-CA 3.5Å; S11-K46 WeakPolarHBondContact OG-CG 3.33Å; S11-K47 PolarHBondContact O-N 2.71Å; S11-E106 WeakPolarHBondContact CB-OE1 3.49Å
12	V	84	Confident	67.4	Low	2 Å²	2	62.6 Å²	62.6	1%	0.012	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	125.5	168.6	-174.5	0	0	0	0	107.5	K47 V49 W67 L70 I71 E106 L107	V12-K47 WeakPolarHBondContact CA-O 3.42Å; V12-V49 HydrophobicContact CG1-CG1 3.77Å; V12-V49 HydrophobicContact CG1-CG2 4.12Å; V12-W67 HydrophobicContact CG1-CE3 3.81Å; V12-W67 HydrophobicContact CG1-CZ3 4.15Å; V12-L70 HydrophobicContact CG2-CB 4.04Å; V12-I71 HydrophobicContact CB-CG1 4.17Å; V12-I71 HydrophobicContact CG1-CG1 4.41Å; V12-I71 HydrophobicContact CG2-CG1 4.07Å; V12-E106 WeakPolarHBondContact O-CG 3.3Å; V12-L107 HydrophobicContact CB-CB 4.45Å; V12-L107 HydrophobicContact CG1-CD1 4.03Å; V12-L107 HydrophobicContact CG1-CG 4.47Å; V12-L107 PolarHBondContact O-N 3.44Å
13	S	87.5	Confident	70.1	Confident	17 Å²	17	58.9 Å²	58.9	12%	0.119	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.9	-179.6	55.6	0	0	0	0	112.2	K47 K48 V49 E105	S13-K47 PolarHBondContact N-O 3.25Å; S13-K48 CarbonylContact O-C 3.38Å; S13-K48 VanDerWaalsContact O-CA 3.27Å; S13-K48 WeakPolarHBondContact O-CA 3.48Å; S13-V49 PolarHBondContact O-N 2.97Å; S13-E105 CarbonylContact C-O 3.55Å; S13-E105 WeakPolarHBondContact CA-O 3.47Å; S13-E105 VanDerWaalsContact CB-O 3.27Å; S13-E105 WeakPolarHBondContact CB-O 3.48Å
14	A	87.1	Confident	72.7	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	134.4	173.6	0	0	0	0	0	110.6	I18 V101 G104 E105	A14-I18 HydrophobicContact CB-CD1 3.79Å; A14-I18 HydrophobicContact CB-CG1 4.07Å; A14-V101 HydrophobicContact CB-CG1 3.99Å; A14-G104 PolarHBondContact O-N 3.08Å; A14-E105 PolarHBondContact N-O 2.66Å
15	D	87.8	Confident	75	Confident	67 Å²	67	52.4 Å²	52.4	36%	0.358	33%	0.325	S	S	.	.	S	Bend	trans	-99.5	-16.5	173	-154.4	54.6	0	0	0	111.9	K48 V49 R50	D15-K48 HydrophobicContact CB-CB 4.03Å; D15-K48 IonicContact OD1-NZ 2.65Å; D15-K48 PolarHBondContact OD1-NZ 3.12Å; D15-V49 PolarHBondContact N-O 2.84Å; D15-R50 HydrophobicContact CB-CB 4.12Å
16	C	85.8	Confident	77.2	Confident	34 Å²	34	50.1 Å²	50.1	23%	0.23	30%	0.302	C	S	.	.	S	Bend	trans	-131.3	170.9	174.7	73.1	0	0	0	0	110.2	I18 M51	C16-I18 PolarHBondContact O-N 2.99Å; C16-M51 PolarHBondContact SG-N 2.97Å
17	C	87	Confident	78.9	Confident	72 Å²	72	39.8 Å²	39.8	49%	0.486	27%	0.267	S	S	.	.			trans	-61.6	128.5	168.3	-54.8	0	0	0	0	109.7	V101	C17-V101 WeakPolarHBondContact CA-O 3.47Å
18	I	87.7	Confident	80.2	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-106.3	116.5	171.3	-52.6	179.5	0	0	0	107.6	A14 C16 L22 L56 A97 D100 V101 L107	A14-I18 HydrophobicContact CB-CD1 3.79Å; A14-I18 HydrophobicContact CB-CG1 4.07Å; C16-I18 PolarHBondContact O-N 2.99Å; I18-L22 HydrophobicContact CG2-CB 4.31Å; I18-L22 HydrophobicContact CG2-CD2 3.6Å; I18-L56 HydrophobicContact CD1-CD1 4.21Å; I18-L56 HydrophobicContact CD1-CD2 3.8Å; I18-L56 HydrophobicContact CG1-CD2 4.13Å; I18-L56 HydrophobicContact CG2-CD1 4.26Å; I18-A97 HydrophobicContact CG2-CB 4.39Å; I18-D100 WeakPolarHBondContact O-CA 3.31Å; I18-V101 HydrophobicContact CB-CB 4.12Å; I18-V101 HydrophobicContact CB-CG2 4.48Å; I18-V101 PolarHBondContact N-O 3.34Å; I18-V101 PolarHBondContact O-N 3.34Å; I18-L107 HydrophobicContact CD1-CD1 4.28Å; I18-L107 HydrophobicContact CD1-CD2 3.98Å
19	P	87.6	Confident	80.7	Confident	55 Å²	55	40.7 Å²	40.7	36%	0.357	28%	0.281	S	S	.	.			trans	-71	145	-172.7	26.4	-32.5	0	0	0	112.6	L22 M51 A97 D100	P19-L22 HydrophobicContact CG-CB 4.29Å; P19-L22 VanDerWaalsContact O-CB 3.27Å; P19-L22 WeakPolarHBondContact O-CB 3.29Å; P19-L22 PolarHBondContact O-N 3.12Å; P19-L22 VanDerWaalsContact O-N 3.16Å; P19-M51 VanDerWaalsContact CD-SD 3.53Å; P19-M51 HydrophobicContact CG-SD 4.3Å; P19-A97 WeakPolarHBondContact O-CB 3.27Å; P19-D100 WeakPolarHBondContact CA-OD1 3.4Å
20	A	89.3	Confident	80.1	Confident	52 Å²	52	43 Å²	43	43%	0.43	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	140	174.3	0	0	0	0	0	111.5	L22 D100	A20-L22 VanDerWaalsContact C-N 3.25Å; A20-L22 PolarHBondContact O-N 2.9Å; A20-D100 PolarHBondContact N-OD1 3.18Å
21	G	84.8	Confident	79.2	Confident	47 Å²	47	45.3 Å²	45.3	49%	0.485	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	-10.7	-177.2	0	0	0	0	0	115.4	R23 A97	G21-R23 PolarHBondContact O-N 2.86Å; G21-A97 PolarHBondContact N-O 2.86Å
22	L	88.9	Confident	77.6	Confident	40 Å²	40	52.1 Å²	52.1	21%	0.209	33%	0.325	C	S	.	.			trans	-56.8	127.4	174.8	-173	73.4	0	0	0	110.2	I18 P19 A20 M51 L56 R96 A97	I18-L22 HydrophobicContact CG2-CB 4.31Å; I18-L22 HydrophobicContact CG2-CD2 3.6Å; P19-L22 HydrophobicContact CG-CB 4.29Å; P19-L22 VanDerWaalsContact O-CB 3.27Å; P19-L22 WeakPolarHBondContact O-CB 3.29Å; P19-L22 PolarHBondContact O-N 3.12Å; P19-L22 VanDerWaalsContact O-N 3.16Å; A20-L22 VanDerWaalsContact C-N 3.25Å; A20-L22 PolarHBondContact O-N 2.9Å; L22-M51 HydrophobicContact CD2-CE 4.45Å; L22-M51 HydrophobicContact CD2-SD 4.32Å; L22-L56 HydrophobicContact CD2-CD1 3.8Å; L22-L56 HydrophobicContact CD2-CG 4.26Å; L22-R96 CarbonylContact O-C 3.55Å; L22-R96 VanDerWaalsContact O-CA 3.31Å; L22-R96 WeakPolarHBondContact O-CA 3.34Å; L22-A97 PolarHBondContact O-N 3.14Å
23	R	88.4	Confident	75.4	Confident	99 Å²	99	56.3 Å²	56.3	37%	0.374	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.8	-178.4	176.9	-178	167.1	162.1	-4.1	110.2	G21 I85 D87 F94 Y95	G21-R23 PolarHBondContact O-N 2.86Å; R23-I85 HydrophobicContact CG-CD1 4.4Å; R23-D87 IonicContact CZ-OD1 3.95Å; R23-D87 IonicContact CZ-OD2 3.22Å; R23-D87 IonicContact NH1-OD1 2.71Å; R23-D87 PolarHBondContact NH1-OD1 3.44Å; R23-D87 IonicContact NH1-OD2 2.73Å; R23-D87 PolarHBondContact NH1-OD2 3.09Å; R23-D87 IonicContact NH2-OD1 3.71Å; R23-D87 PolarHBondContact NH2-OD1 3.15Å; R23-D87 IonicContact NH2-OD2 2.86Å; R23-D87 PolarHBondContact NH2-OD2 3.45Å; R23-F94 HydrophobicContact CG-CB 3.98Å; R23-F94 HydrophobicContact CG-CD1 4.47Å; R23-F94 HydrophobicContact CG-CG 4.49Å; R23-Y95 CarbonylContact C-O 3.57Å; R23-Y95 VanDerWaalsContact CA-O 3.32Å; R23-Y95 WeakPolarHBondContact CA-O 3.37Å
24	F	85.3	Confident	73.4	Confident	16 Å²	16	58.6 Å²	58.6	7%	0.07	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	154.9	178.5	57.5	-80.9	0	0	0	112.1	L56 W67 I68 I71 L82 Y95	F24-L56 HydrophobicContact CD1-CD1 3.67Å; F24-L56 HydrophobicContact CD2-CD1 4.25Å; F24-L56 HydrophobicContact CE1-CD1 3.75Å; F24-L56 HydrophobicContact CE2-CD1 4.31Å; F24-L56 HydrophobicContact CG-CD1 3.93Å; F24-L56 HydrophobicContact CZ-CD1 4.07Å; F24-W67 HydrophobicContact CD2-CH2 4.26Å; F24-W67 HydrophobicContact CE2-CH2 4.02Å; F24-W67 HydrophobicContact CE2-CZ3 4.09Å; F24-I68 HydrophobicContact CD2-CD1 3.77Å; F24-I68 HydrophobicContact CD2-CG1 4.26Å; F24-I68 HydrophobicContact CE2-CD1 4.16Å; F24-I68 HydrophobicContact CE2-CG1 4.21Å; F24-I71 HydrophobicContact CE2-CD1 4.1Å; F24-L82 HydrophobicContact CE1-CD2 3.88Å; F24-L82 HydrophobicContact CZ-CD1 3.73Å; F24-L82 HydrophobicContact CZ-CD2 3.84Å; F24-L82 HydrophobicContact CZ-CG 4.45Å; F24-Y95 HydrophobicContact CE2-CD2 4.25Å; F24-Y95 PolarHBondContact N-O 3.1Å; F24-Y95 PolarHBondContact O-N 3.33Å
25	G	81.8	Confident	70.9	Confident	27 Å²	27	68.1 Å²	68.1	28%	0.278	41%	0.414	S	S	.	.			trans	140.8	-166.1	-168.7	0	0	0	0	0	111.1
26	P	80.4	Confident	68.3	Low	45 Å²	45	75.6 Å²	75.6	29%	0.292	44%	0.439	S	S	.	.			cis	-69.8	155.5	4	30.1	-37	0	0	0	113	P28 L65 Q92 I93 F94	P26-P28 WeakPolarHBondContact O-CD 3.31Å; P26-L65 VanDerWaalsContact O-CD2 3.26Å; P26-L65 WeakPolarHBondContact O-CD2 3.44Å; P26-Q92 HydrophobicContact CB-CB 4Å; P26-Q92 HydrophobicContact CB-CG 4.27Å; P26-I93 WeakPolarHBondContact CA-O 3.32Å; P26-F94 HydrophobicContact CB-CE1 4.13Å; P26-F94 HydrophobicContact CB-CZ 4.07Å
27	V	77.2	Confident	66.1	Low	32 Å²	32	81.5 Å²	81.5	19%	0.194	47%	0.468	C	S	.	.			trans	-73.7	121.5	171.2	-176.5	0	0	0	0	108.8	G29 I68 I93 Y95	V27-G29 PolarHBondContact O-N 3.15Å; V27-I68 HydrophobicContact CG2-CD1 3.83Å; V27-I68 HydrophobicContact CG2-CG1 4.17Å; V27-I93 HydrophobicContact CG2-CB 4.4Å; V27-I93 HydrophobicContact CG2-CG2 4.1Å; V27-I93 PolarHBondContact N-O 3.21Å; V27-Y95 HydrophobicContact CG2-CD1 3.97Å; V27-Y95 HydrophobicContact CG2-CD2 4.32Å; V27-Y95 HydrophobicContact CG2-CE1 3.53Å; V27-Y95 HydrophobicContact CG2-CE2 3.91Å; V27-Y95 HydrophobicContact CG2-CG 4.36Å; V27-Y95 VanDerWaalsContact CG2-CZ 3.49Å
28	P	65.2	Low	63.7	Low	75 Å²	75	82.8 Å²	82.8	49%	0.487	48%	0.478	S	S	.	.			trans	-76.1	114.2	-178.7	29.6	-31.9	0	0	0	111	P26 L65 I68	P26-P28 WeakPolarHBondContact O-CD 3.31Å; P28-L65 HydrophobicContact CG-CB 4.4Å; P28-L65 HydrophobicContact CG-CD2 4.35Å; P28-I68 VanDerWaalsContact CD-CG2 3.46Å; P28-I68 HydrophobicContact CG-CG2 4.36Å
29	G	58.7	Low	61.6	Low	73 Å²	73	88.2 Å²	88.2	75%	0.753	51%	0.506	S	S	*	.	S	Bend	trans	150.7	163.3	172.2	0	0	0	0	0	113.8	V27	V27-G29 PolarHBondContact O-N 3.15Å
30	T	46.3	Very low	59.1	Low	110 Å²	110	94.8 Å²	94.8	68%	0.675	52%	0.524	S	S	*	.			trans	-79.1	133.9	167.8	51.9	0	0	0	0	110.3	K32	T30-K32 PolarHBondContact O-N 3.08Å; T30-K32 WeakPolarHBondContact OG1-CE 3.27Å
31	F	47.3	Very low	57.2	Low	69 Å²	69	96.9 Å²	96.9	30%	0.303	52%	0.521	S	S	.	.			trans	-65.4	105	177.6	-171.1	-110	0	0	0	111.7	L33 I93 Y111 F119 I121	F31-L33 HydrophobicContact CE1-CB 4.06Å; F31-I93 HydrophobicContact CB-CD1 4.19Å; F31-I93 HydrophobicContact CD2-CD1 3.33Å; F31-I93 HydrophobicContact CE2-CD1 3.92Å; F31-I93 HydrophobicContact CG-CD1 3.98Å; F31-Y111 AromaticContact CE2-CE1 3.83Å; F31-Y111 HydrophobicContact CE2-CE1 3.83Å; F31-Y111 AromaticContact CZ-CE1 3.95Å; F31-Y111 HydrophobicContact CZ-CE1 3.95Å; F31-F119 AromaticContact CD1-CD1 3.76Å; F31-F119 HydrophobicContact CD1-CD1 3.76Å; F31-F119 HydrophobicContact CD1-CD2 4.34Å; F31-F119 AromaticContact CD1-CE1 3.63Å; F31-F119 HydrophobicContact CD1-CE1 3.63Å; F31-F119 HydrophobicContact CD1-CE2 4.23Å; F31-F119 HydrophobicContact CD1-CG 4.12Å; F31-F119 AromaticContact CD1-CZ 3.88Å; F31-F119 HydrophobicContact CD1-CZ 3.88Å; F31-F119 HydrophobicContact CE1-CB 4.1Å; F31-F119 AromaticContact CE1-CD1 3.69Å; F31-F119 HydrophobicContact CE1-CD1 3.69Å; F31-F119 AromaticContact CE1-CD2 3.96Å; F31-F119 HydrophobicContact CE1-CD2 3.96Å; F31-F119 HydrophobicContact CE1-CE1 4.04Å; F31-F119 HydrophobicContact CE1-CE2 4.28Å; F31-F119 AromaticContact CE1-CG 3.64Å; F31-F119 HydrophobicContact CE1-CG 3.64Å; F31-F119 HydrophobicContact CE1-CZ 4.32Å; F31-I121 HydrophobicContact CE1-CD1 4.29Å; F31-I121 HydrophobicContact CZ-CD1 3.86Å
32	K	41	Very low	55.1	Low	163 Å²	163	100.3 Å²	100.3	71%	0.709	52%	0.524	S	S	*	.			trans	-107.5	84	-179.1	-72.4	-177.4	-179.2	179.4	0	110.9	T30 G34	T30-K32 PolarHBondContact O-N 3.08Å; T30-K32 WeakPolarHBondContact OG1-CE 3.27Å; K32-G34 PolarHBondContact O-N 3.01Å
33	L	38.9	Very low	53.3	Low	89 Å²	89	102.4 Å²	102.4	47%	0.466	54%	0.54	S	S	.	.			trans	-62.9	121.6	172.6	-176.6	63.1	0	0	0	110.7	F31 I121	F31-L33 HydrophobicContact CE1-CB 4.06Å; L33-I121 HydrophobicContact CD1-CD1 3.96Å; L33-I121 HydrophobicContact CD1-CG1 3.94Å; L33-I121 HydrophobicContact CD2-CG1 4.01Å
34	G	46	Very low	51.8	Low	66 Å²	66	98.7 Å²	98.7	68%	0.68	53%	0.532	S	S	*	.	S	Bend	trans	44.5	75.6	157.2	0	0	0	0	0	118.4	K32	K32-G34 PolarHBondContact O-N 3.01Å
35	K	32.8	Very low	50.7	Low	199 Å²	199	102.2 Å²	102.2	87%	0.865	56%	0.557	S	S	*	*	S	Bend	trans	-163.4	-32.1	151.6	-114.5	164.4	-171.4	-176.2	0	115.9
36	Y	33.8	Very low	50.3	Low	225 Å²	225	107.5 Å²	107.5	88%	0.882	57%	0.572	S	S	*	*	S	Bend	trans	-136.8	57.9	-177.3	-92.7	-84.7	0	0	0	112.9
37	L	40.9	Very low	50.4	Low	158 Å²	158	107.2 Å²	107.2	83%	0.827	57%	0.567	S	S	*	*			trans	-127	86.8	157.3	-75.4	177.5	0	0	0	107.7	D39	L37-D39 PolarHBondContact O-N 3.38Å
38	S	35.3	Very low	50.7	Low	99 Å²	99	108.8 Å²	108.8	69%	0.692	57%	0.571	S	S	*	*			trans	-62.7	129.2	169.9	47.1	0	0	0	0	109.8	R40	S38-R40 PolarHBondContact O-N 3.13Å
39	D	42.9	Very low	51.8	Low	113 Å²	113	105.2 Å²	105.2	60%	0.604	55%	0.548	S	S	*	.	S	Bend	trans	-68.5	18.9	176.1	-161.3	36.5	0	0	0	113.5	L37 R41	L37-D39 PolarHBondContact O-N 3.38Å; D39-R41 PolarHBondContact O-N 2.84Å
40	R	36.6	Very low	53	Low	194 Å²	194	107.2 Å²	107.2	73%	0.732	53%	0.533	S	S	*	.			trans	-78.7	59.4	170.4	-160.8	-177.5	-155.5	-97.8	10.3	109	S38 E42	S38-R40 PolarHBondContact O-N 3.13Å; R40-E42 IonicContact NH1-OE1 3.96Å; R40-E42 PolarHBondContact NH1-OE1 3.49Å; R40-E42 PolarHBondContact O-N 3.24Å
41	R	48.6	Very low	54.9	Low	95 Å²	95	105.1 Å²	105.1	36%	0.358	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-64.4	116.6	169.5	-85.5	-171.7	171.7	-140.8	2.6	108.3	T10 D39 L70 I71	T10-R41 PolarHBondContact O-NH1 3.34Å; T10-R41 PolarHBondContact OG1-NH1 2.8Å; D39-R41 PolarHBondContact O-N 2.84Å; R41-L70 PolarHBondContact NH1-O 3.05Å; R41-L70 PolarHBondContact NH2-O 3.46Å; R41-I71 PolarHBondContact NH2-O 2.93Å
42	E	41.1	Very low	56.4	Low	120 Å²	120	104.5 Å²	104.5	56%	0.561	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-58.6	146.8	167.9	-62.8	-58.7	145	0	0	109.8	R40 G44	R40-E42 IonicContact NH1-OE1 3.96Å; R40-E42 PolarHBondContact NH1-OE1 3.49Å; R40-E42 PolarHBondContact O-N 3.24Å; E42-G44 PolarHBondContact O-N 2.68Å
43	P	50.6	Low	58.1	Low	84 Å²	84	109.1 Å²	109.1	55%	0.545	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-59.1	135.9	173.8	-20.2	32.6	0	0	0	110.2	A7	A7-P43 HydrophobicContact CB-CB 3.83Å; A7-P43 HydrophobicContact CB-CG 3.75Å
44	G	57.4	Low	59.8	Low	20 Å²	20	107 Å²	107	21%	0.206	53%	0.53	C	S	.	.			trans	-160.3	173.3	-177.2	0	0	0	0	0	113.1	T10 E42	T10-G44 VanDerWaalsContact CG2-CA 3.49Å; E42-G44 PolarHBondContact O-N 2.68Å
45	P	62.8	Low	61.4	Low	91 Å²	91	110.4 Å²	110.4	59%	0.591	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-61.9	139.3	-170.4	24.8	-34.1	0	0	0	111.6	K47	P45-K47 PolarHBondContact O-N 3.4Å
46	K	72.8	Confident	63.8	Low	137 Å²	137	101.1 Å²	101.1	60%	0.596	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-69.8	122.4	158.4	-56.4	-170.6	176.1	-177	0	106.7	S11	S11-K46 WeakPolarHBondContact O-CA 3.5Å; S11-K46 WeakPolarHBondContact OG-CG 3.33Å
47	K	81.3	Confident	66.2	Low	39 Å²	39	91.3 Å²	91.3	17%	0.17	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133	173.2	-75	-167.6	175.9	-167.1	0	109	S11 V12 S13 P45 D58 E66 W67 L70	S11-K47 PolarHBondContact O-N 2.71Å; V12-K47 WeakPolarHBondContact CA-O 3.42Å; S13-K47 PolarHBondContact N-O 3.25Å; P45-K47 PolarHBondContact O-N 3.4Å; K47-D58 WeakPolarHBondContact CB-OD1 3.48Å; K47-D58 WeakPolarHBondContact CG-OD1 3.5Å; K47-E66 PolarHBondContact NZ-O 2.63Å; K47-W67 HydrophobicContact CD-CB 3.53Å; K47-W67 HydrophobicContact CD-CG 4.43Å; K47-L70 HydrophobicContact CD-CD1 4.12Å
48	K	85	Confident	68.3	Low	66 Å²	66	84.5 Å²	84.5	29%	0.287	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	134.4	171.1	-49.9	-150.4	-92.4	71.4	0	109.6	S13 D15 D58 E59	S13-K48 CarbonylContact O-C 3.38Å; S13-K48 VanDerWaalsContact O-CA 3.27Å; S13-K48 WeakPolarHBondContact O-CA 3.48Å; D15-K48 HydrophobicContact CB-CB 4.03Å; D15-K48 IonicContact OD1-NZ 2.65Å; D15-K48 PolarHBondContact OD1-NZ 3.12Å; K48-D58 CarbonylContact O-C 3.58Å; K48-E59 HydrophobicContact CB-CG 3.7Å; K48-E59 WeakPolarHBondContact CE-OE1 3.42Å; K48-E59 HydrophobicContact CG-CG 4.47Å; K48-E59 IonicContact NZ-OE1 3.49Å; K48-E59 PolarHBondContact NZ-OE1 3.16Å; K48-E59 VanDerWaalsContact O-CG 3.27Å; K48-E59 WeakPolarHBondContact O-CG 3.26Å; K48-E59 PolarHBondContact O-N 2.94Å
49	V	86.9	Confident	70.4	Confident	0 Å²	0	84.6 Å²	84.6	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133.2	-173.2	-60.9	0	0	0	0	111.3	V12 S13 D15 L56 V57 W67 L107	V12-V49 HydrophobicContact CG1-CG1 3.77Å; V12-V49 HydrophobicContact CG1-CG2 4.12Å; S13-V49 PolarHBondContact O-N 2.97Å; D15-V49 PolarHBondContact N-O 2.84Å; V49-L56 HydrophobicContact CB-CD2 4.29Å; V49-L56 HydrophobicContact CG2-CD2 4.13Å; V49-V57 CarbonylContact C-O 3.54Å; V49-V57 VanDerWaalsContact CA-O 3.29Å; V49-V57 WeakPolarHBondContact CA-O 3.27Å; V49-W67 HydrophobicContact CB-CH2 4.07Å; V49-W67 HydrophobicContact CB-CZ2 4.13Å; V49-W67 HydrophobicContact CB-CZ3 4.35Å; V49-W67 HydrophobicContact CG1-CD2 3.63Å; V49-W67 HydrophobicContact CG1-CE3 3.71Å; V49-W67 HydrophobicContact CG1-CG 4.31Å; V49-W67 HydrophobicContact CG1-CH2 3.84Å; V49-W67 HydrophobicContact CG1-CZ2 3.76Å; V49-W67 HydrophobicContact CG1-CZ3 3.8Å; V49-W67 HydrophobicContact CG2-CH2 4.15Å; V49-W67 HydrophobicContact CG2-CZ3 4.2Å; V49-L107 HydrophobicContact CG2-CD1 3.61Å
50	R	85.1	Confident	71.8	Confident	115 Å²	115	83.6 Å²	83.6	43%	0.434	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	151.6	-173.3	66.8	-178.3	-166.9	160.6	4.4	111.1	D15 V52 V57	D15-R50 HydrophobicContact CB-CB 4.12Å; R50-V52 HydrophobicContact CG-CG2 4.25Å; R50-V57 HydrophobicContact CG-CG2 4.01Å; R50-V57 PolarHBondContact N-O 2.88Å; R50-V57 PolarHBondContact O-N 2.82Å
51	M	84.8	Confident	73.5	Confident	65 Å²	65	76.6 Å²	76.6	32%	0.32	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	127.1	173.6	-71.8	-176.5	68.7	0	0	110.9	C16 P19 L22 E55 L56	C16-M51 PolarHBondContact SG-N 2.97Å; P19-M51 VanDerWaalsContact CD-SD 3.53Å; P19-M51 HydrophobicContact CG-SD 4.3Å; L22-M51 HydrophobicContact CD2-CE 4.45Å; L22-M51 HydrophobicContact CD2-SD 4.32Å; M51-E55 CarbonylContact C-O 3.51Å; M51-E55 VanDerWaalsContact CA-O 3.3Å; M51-E55 WeakPolarHBondContact CA-O 3.27Å; M51-L56 HydrophobicContact CG-CD2 4.12Å; M51-L56 HydrophobicContact CG-CG 4.36Å
52	V	80	Confident	74.6	Confident	57 Å²	57	73.1 Å²	73.1	35%	0.345	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	120.9	171.2	174.1	0	0	0	0	107.8	R50 G54 E55 V57	R50-V52 HydrophobicContact CG-CG2 4.25Å; V52-G54 PolarHBondContact O-N 2.9Å; V52-E55 PolarHBondContact N-O 3.35Å; V52-E55 PolarHBondContact O-N 2.87Å; V52-V57 HydrophobicContact CB-CG2 3.91Å; V52-V57 HydrophobicContact CG2-CG2 3.54Å
53	R	77.4	Confident	76.2	Confident	260 Å²	260	70 Å²	70	98%	0.981	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	19.8	-179.2	-60.5	179.2	175.3	179.7	-2.1	115.4
54	G	74.2	Confident	77.4	Confident	44 Å²	44	67.3 Å²	67.3	45%	0.454	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.1	-14.1	-178.3	0	0	0	0	0	114.6	V52	V52-G54 PolarHBondContact O-N 2.9Å
55	E	79.3	Confident	78.1	Confident	137 Å²	137	70.3 Å²	70.3	64%	0.64	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	152.5	176.4	-61.1	-169.3	153	0	0	111.7	M51 V52	M51-E55 CarbonylContact C-O 3.51Å; M51-E55 VanDerWaalsContact CA-O 3.3Å; M51-E55 WeakPolarHBondContact CA-O 3.27Å; V52-E55 PolarHBondContact N-O 3.35Å; V52-E55 PolarHBondContact O-N 2.87Å
56	L	83.8	Confident	78.7	Confident	4 Å²	4	72.3 Å²	72.3	2%	0.021	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	122.4	173	-84.6	160.5	0	0	0	110.3	I18 L22 F24 V49 M51 P64 W67	I18-L56 HydrophobicContact CD1-CD1 4.21Å; I18-L56 HydrophobicContact CD1-CD2 3.8Å; I18-L56 HydrophobicContact CG1-CD2 4.13Å; I18-L56 HydrophobicContact CG2-CD1 4.26Å; L22-L56 HydrophobicContact CD2-CD1 3.8Å; L22-L56 HydrophobicContact CD2-CG 4.26Å; F24-L56 HydrophobicContact CD1-CD1 3.67Å; F24-L56 HydrophobicContact CD2-CD1 4.25Å; F24-L56 HydrophobicContact CE1-CD1 3.75Å; F24-L56 HydrophobicContact CE2-CD1 4.31Å; F24-L56 HydrophobicContact CG-CD1 3.93Å; F24-L56 HydrophobicContact CZ-CD1 4.07Å; V49-L56 HydrophobicContact CB-CD2 4.29Å; V49-L56 HydrophobicContact CG2-CD2 4.13Å; M51-L56 HydrophobicContact CG-CD2 4.12Å; M51-L56 HydrophobicContact CG-CG 4.36Å; L56-P64 WeakPolarHBondContact O-CG 3.35Å; L56-W67 HydrophobicContact CB-CH2 3.84Å; L56-W67 HydrophobicContact CB-CZ2 3.77Å; L56-W67 HydrophobicContact CD1-CH2 4.4Å
57	V	84.1	Confident	79	Confident	19 Å²	19	65.8 Å²	65.8	12%	0.115	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	153.4	176.3	-61	0	0	0	0	111	V49 R50 V52	V49-V57 CarbonylContact C-O 3.54Å; V49-V57 VanDerWaalsContact CA-O 3.29Å; V49-V57 WeakPolarHBondContact CA-O 3.27Å; R50-V57 HydrophobicContact CG-CG2 4.01Å; R50-V57 PolarHBondContact N-O 2.88Å; R50-V57 PolarHBondContact O-N 2.82Å; V52-V57 HydrophobicContact CB-CG2 3.91Å; V52-V57 HydrophobicContact CG2-CG2 3.54Å
58	D	83.9	Confident	78.9	Confident	15 Å²	15	63.9 Å²	63.9	8%	0.08	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	168.1	172.6	-175.8	47.1	0	0	0	111.8	K47 K48 S60 G61 G62	K47-D58 WeakPolarHBondContact CB-OD1 3.48Å; K47-D58 WeakPolarHBondContact CG-OD1 3.5Å; K48-D58 CarbonylContact O-C 3.58Å; D58-S60 PolarHBondContact O-N 2.68Å; D58-S60 VanDerWaalsContact O-N 3.15Å; D58-S60 WeakPolarHBondContact OD2-CB 3.38Å; D58-S60 PolarHBondContact OD2-OG 3.02Å; D58-G61 PolarHBondContact O-N 2.63Å; D58-G62 PolarHBondContact N-O 3.25Å; D58-G62 VanDerWaalsContact N-O 3.12Å
59	E	78.8	Confident	78.4	Confident	102 Å²	102	63 Å²	63	48%	0.477	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-34.3	174.4	-57.8	-168.9	119.4	0	0	112	K48 G61	K48-E59 HydrophobicContact CB-CG 3.7Å; K48-E59 WeakPolarHBondContact CE-OE1 3.42Å; K48-E59 HydrophobicContact CG-CG 4.47Å; K48-E59 IonicContact NZ-OE1 3.49Å; K48-E59 PolarHBondContact NZ-OE1 3.16Å; K48-E59 VanDerWaalsContact O-CG 3.27Å; K48-E59 WeakPolarHBondContact O-CG 3.26Å; K48-E59 PolarHBondContact O-N 2.94Å; E59-G61 PolarHBondContact O-N 3.27Å
60	S	74.4	Confident	78	Confident	92 Å²	92	65.9 Å²	65.9	64%	0.643	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-8.6	175.4	62.6	0	0	0	0	115.1	D58 G62	D58-S60 PolarHBondContact O-N 2.68Å; D58-S60 VanDerWaalsContact O-N 3.15Å; D58-S60 WeakPolarHBondContact OD2-CB 3.38Å; D58-S60 PolarHBondContact OD2-OG 3.02Å; S60-G62 PolarHBondContact OG-N 3.3Å; S60-G62 VanDerWaalsContact OG-N 3.14Å
61	G	71.3	Confident	77.8	Confident	47 Å²	47	60.9 Å²	60.9	49%	0.485	35%	0.345	S	S	.	.			trans	76.5	6.3	-164.9	0	0	0	0	0	113.9	D58 E59	D58-G61 PolarHBondContact O-N 2.63Å; E59-G61 PolarHBondContact O-N 3.27Å
62	G	71.8	Confident	77.5	Confident	22 Å²	22	59.7 Å²	59.7	23%	0.227	34%	0.337	C	S	.	.			trans	-62.7	144.2	178.9	0	0	0	0	0	113.9	D58 S60	D58-G62 PolarHBondContact N-O 3.25Å; D58-G62 VanDerWaalsContact N-O 3.12Å; S60-G62 PolarHBondContact OG-N 3.3Å; S60-G62 VanDerWaalsContact OG-N 3.14Å
63	S	74.2	Confident	77.4	Confident	55 Å²	55	59.6 Å²	59.6	39%	0.385	34%	0.343	S	S	.	.			trans	-62.1	157.6	-177	82.6	0	0	0	0	113.3	L65 E66 W67	S63-L65 PolarHBondContact O-N 3.25Å; S63-L65 VanDerWaalsContact O-N 3.1Å; S63-E66 PolarHBondContact O-N 2.61Å; S63-W67 PolarHBondContact O-NE1 2.66Å
64	P	76.1	Confident	77.3	Confident	26 Å²	26	47.5 Å²	47.5	17%	0.169	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-38.1	176	-28.1	31.5	0	0	0	114.8	L56 E66 W67 I68	L56-P64 WeakPolarHBondContact O-CG 3.35Å; P64-E66 VanDerWaalsContact C-N 3.28Å; P64-E66 PolarHBondContact O-N 3.03Å; P64-W67 HydrophobicContact CB-CZ2 4.33Å; P64-W67 PolarHBondContact O-N 3.1Å; P64-I68 WeakPolarHBondContact O-CB 3.44Å; P64-I68 VanDerWaalsContact O-CG2 3.28Å; P64-I68 WeakPolarHBondContact O-CG2 3.35Å; P64-I68 PolarHBondContact O-N 2.86Å
65	L	72.9	Confident	76.9	Confident	83 Å²	83	51.3 Å²	51.3	44%	0.435	30%	0.299	S	S	.	.	H	α-helix	trans	-62.8	-33.8	-170.9	-58	176.4	0	0	0	112.6	P26 P28 S63 W67	P26-L65 VanDerWaalsContact O-CD2 3.26Å; P26-L65 WeakPolarHBondContact O-CD2 3.44Å; P28-L65 HydrophobicContact CG-CB 4.4Å; P28-L65 HydrophobicContact CG-CD2 4.35Å; S63-L65 PolarHBondContact O-N 3.25Å; S63-L65 VanDerWaalsContact O-N 3.1Å; L65-W67 PolarHBondContact O-N 3.2Å
66	E	74.1	Confident	76.5	Confident	133 Å²	133	47.1 Å²	47.1	62%	0.621	28%	0.281	S	S	*	.	H	α-helix	trans	-77.2	-0.4	-177.1	-65.5	-57	131.1	0	0	114.4	K47 S63 P64	K47-E66 PolarHBondContact NZ-O 2.63Å; S63-E66 PolarHBondContact O-N 2.61Å; P64-E66 VanDerWaalsContact C-N 3.28Å; P64-E66 PolarHBondContact O-N 3.03Å
67	W	79.1	Confident	75.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-147.2	-18.4	179.9	59.9	-98	0	0	0	115.1	V12 F24 K47 V49 L56 S63 P64 L65 G69 L70 I71 L107	V12-W67 HydrophobicContact CG1-CE3 3.81Å; V12-W67 HydrophobicContact CG1-CZ3 4.15Å; F24-W67 HydrophobicContact CD2-CH2 4.26Å; F24-W67 HydrophobicContact CE2-CH2 4.02Å; F24-W67 HydrophobicContact CE2-CZ3 4.09Å; K47-W67 HydrophobicContact CD-CB 3.53Å; K47-W67 HydrophobicContact CD-CG 4.43Å; V49-W67 HydrophobicContact CB-CH2 4.07Å; V49-W67 HydrophobicContact CB-CZ2 4.13Å; V49-W67 HydrophobicContact CB-CZ3 4.35Å; V49-W67 HydrophobicContact CG1-CD2 3.63Å; V49-W67 HydrophobicContact CG1-CE3 3.71Å; V49-W67 HydrophobicContact CG1-CG 4.31Å; V49-W67 HydrophobicContact CG1-CH2 3.84Å; V49-W67 HydrophobicContact CG1-CZ2 3.76Å; V49-W67 HydrophobicContact CG1-CZ3 3.8Å; V49-W67 HydrophobicContact CG2-CH2 4.15Å; V49-W67 HydrophobicContact CG2-CZ3 4.2Å; L56-W67 HydrophobicContact CB-CH2 3.84Å; L56-W67 HydrophobicContact CB-CZ2 3.77Å; L56-W67 HydrophobicContact CD1-CH2 4.4Å; S63-W67 PolarHBondContact O-NE1 2.66Å; P64-W67 HydrophobicContact CB-CZ2 4.33Å; P64-W67 PolarHBondContact O-N 3.1Å; L65-W67 PolarHBondContact O-N 3.2Å; W67-G69 PolarHBondContact O-N 3.1Å; W67-L70 HydrophobicContact CB-CD1 4.48Å; W67-L70 WeakPolarHBondContact O-CA 3.4Å; W67-L70 WeakPolarHBondContact O-CB 3.38Å; W67-L70 PolarHBondContact O-N 3.48Å; W67-I71 HydrophobicContact CE3-CD1 4.27Å; W67-I71 HydrophobicContact CE3-CG1 4.45Å; W67-I71 HydrophobicContact CZ3-CD1 3.94Å; W67-L107 HydrophobicContact CZ3-CD1 4.28Å
68	I	80.3	Confident	75.3	Confident	0 Å²	0	59 Å²	59	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-59.6	-32.2	176.8	-163.7	175.7	0	0	0	112.1	F24 V27 P28 P64 L70 I71 Y95	F24-I68 HydrophobicContact CD2-CD1 3.77Å; F24-I68 HydrophobicContact CD2-CG1 4.26Å; F24-I68 HydrophobicContact CE2-CD1 4.16Å; F24-I68 HydrophobicContact CE2-CG1 4.21Å; V27-I68 HydrophobicContact CG2-CD1 3.83Å; V27-I68 HydrophobicContact CG2-CG1 4.17Å; P28-I68 VanDerWaalsContact CD-CG2 3.46Å; P28-I68 HydrophobicContact CG-CG2 4.36Å; P64-I68 WeakPolarHBondContact O-CB 3.44Å; P64-I68 VanDerWaalsContact O-CG2 3.28Å; P64-I68 WeakPolarHBondContact O-CG2 3.35Å; P64-I68 PolarHBondContact O-N 2.86Å; I68-L70 VanDerWaalsContact C-N 3.29Å; I68-L70 PolarHBondContact O-N 3.05Å; I68-I71 HydrophobicContact CG1-CD1 4.02Å; I68-I71 WeakPolarHBondContact O-CB 3.43Å; I68-Y95 HydrophobicContact CD1-CD2 3.91Å; I68-Y95 HydrophobicContact CD1-CE2 4.27Å; I68-Y95 HydrophobicContact CD1-CG 4.47Å; I68-Y95 HydrophobicContact CG1-CD2 3.57Å; I68-Y95 HydrophobicContact CG1-CE2 3.6Å
69	G	74.6	Confident	75	Confident	48 Å²	48	60.4 Å²	60.4	50%	0.495	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-11.1	172.5	0	0	0	0	0	115.2	W67	W67-G69 PolarHBondContact O-N 3.1Å
70	L	78	Confident	75.1	Confident	59 Å²	59	57 Å²	57	31%	0.309	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-17.2	177.2	-57.9	177.1	0	0	0	112.7	V12 R41 K47 W67 I68 R72	V12-L70 HydrophobicContact CG2-CB 4.04Å; R41-L70 PolarHBondContact NH1-O 3.05Å; R41-L70 PolarHBondContact NH2-O 3.46Å; K47-L70 HydrophobicContact CD-CD1 4.12Å; W67-L70 HydrophobicContact CB-CD1 4.48Å; W67-L70 WeakPolarHBondContact O-CA 3.4Å; W67-L70 WeakPolarHBondContact O-CB 3.38Å; W67-L70 PolarHBondContact O-N 3.48Å; I68-L70 VanDerWaalsContact C-N 3.29Å; I68-L70 PolarHBondContact O-N 3.05Å; L70-R72 PolarHBondContact O-N 2.83Å
71	I	80.9	Confident	75.7	Confident	10 Å²	10	52.7 Å²	52.7	5%	0.051	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-52.1	135.1	174	-64	175.5	0	0	0	109.5	V12 F24 R41 W67 I68 L82 Y95 L107 V109	V12-I71 HydrophobicContact CB-CG1 4.17Å; V12-I71 HydrophobicContact CG1-CG1 4.41Å; V12-I71 HydrophobicContact CG2-CG1 4.07Å; F24-I71 HydrophobicContact CE2-CD1 4.1Å; R41-I71 PolarHBondContact NH2-O 2.93Å; W67-I71 HydrophobicContact CE3-CD1 4.27Å; W67-I71 HydrophobicContact CE3-CG1 4.45Å; W67-I71 HydrophobicContact CZ3-CD1 3.94Å; I68-I71 HydrophobicContact CG1-CD1 4.02Å; I68-I71 WeakPolarHBondContact O-CB 3.43Å; I71-L82 HydrophobicContact CD1-CD1 3.99Å; I71-L82 HydrophobicContact CG2-CD1 4.15Å; I71-Y95 HydrophobicContact CB-CE2 4.26Å; I71-Y95 HydrophobicContact CD1-CD2 3.73Å; I71-Y95 HydrophobicContact CD1-CE2 3.81Å; I71-Y95 HydrophobicContact CG2-CE2 4.35Å; I71-L107 HydrophobicContact CD1-CD1 4.48Å; I71-L107 HydrophobicContact CG1-CB 4.46Å; I71-L107 HydrophobicContact CG2-CB 4.37Å; I71-L107 WeakPolarHBondContact CG2-O 3.2Å; I71-V109 HydrophobicContact CG2-CB 4.13Å; I71-V109 HydrophobicContact CG2-CG1 3.91Å
72	R	78.7	Confident	76.4	Confident	40 Å²	40	50.5 Å²	50.5	15%	0.151	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	152.7	-178.6	69.6	176.4	-179.8	88.4	-4.4	111.9	L70 E79 E106 T108 V109	L70-R72 PolarHBondContact O-N 2.83Å; R72-E79 IonicContact CZ-OE1 2.66Å; R72-E79 IonicContact CZ-OE2 3.79Å; R72-E79 IonicContact NH1-OE1 2.7Å; R72-E79 PolarHBondContact NH1-OE1 3.37Å; R72-E79 IonicContact NH1-OE2 3.75Å; R72-E79 PolarHBondContact NH1-OE2 3.22Å; R72-E79 VanDerWaalsContact NH1-OE2 3.1Å; R72-E79 IonicContact NH2-OE1 3.49Å; R72-E79 IonicContact NH2-OE2 3.94Å; R72-E79 PolarHBondContact NH2-OE2 2.87Å; R72-E106 WeakPolarHBondContact CD-OE1 3.14Å; R72-E106 IonicContact CZ-OE1 2.66Å; R72-E106 IonicContact CZ-OE2 3.26Å; R72-E106 IonicContact NE-OE1 3.12Å; R72-E106 PolarHBondContact NE-OE1 3.37Å; R72-E106 IonicContact NE-OE2 3.26Å; R72-E106 PolarHBondContact NE-OE2 2.8Å; R72-E106 IonicContact NH2-OE2 3.89Å; R72-E106 PolarHBondContact NH2-OE2 2.89Å; R72-T108 HydrophobicContact CG-CG2 4.01Å; R72-T108 VanDerWaalsContact O-CA 3.29Å; R72-T108 WeakPolarHBondContact O-CA 3.33Å; R72-V109 PolarHBondContact O-N 3.09Å
73	A	78.7	Confident	77.2	Confident	56 Å²	56	50.8 Å²	50.8	46%	0.463	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	141.7	168.8	0	0	0	0	0	110.5	V109 W110	A73-V109 CarbonylContact C-O 3.54Å; A73-V109 VanDerWaalsContact CA-O 3.3Å; A73-V109 WeakPolarHBondContact CA-O 3.38Å; A73-W110 HydrophobicContact CB-CE3 4.49Å; A73-W110 HydrophobicContact CB-CZ3 4.3Å
74	A	73.4	Confident	77.7	Confident	5 Å²	5	48.3 Å²	48.3	4%	0.041	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-69.7	130.1	173.1	0	0	0	0	0	110.3	E79 Q80 T108 V109 W110	A74-E79 HydrophobicContact CB-CG 4.48Å; A74-Q80 HydrophobicContact CB-CB 3.95Å; A74-Q80 HydrophobicContact CB-CG 4.22Å; A74-T108 WeakPolarHBondContact CA-OG1 3.42Å; A74-T108 VanDerWaalsContact CB-OG1 3.22Å; A74-T108 WeakPolarHBondContact CB-OG1 3.45Å; A74-V109 PolarHBondContact N-O 3.21Å; A74-W110 HydrophobicContact CB-CB 4.13Å
75	R	67.1	Low	78.1	Confident	124 Å²	124	48 Å²	48	47%	0.468	26%	0.259	S	S	.	.	S	Bend	trans	-88.5	-14.1	175.2	-56.8	169.8	174.2	153.3	-2.2	112.1	E79 W140	R75-E79 WeakPolarHBondContact CA-OE1 3.19Å; R75-E79 WeakPolarHBondContact CB-OE1 3.27Å; R75-E79 WeakPolarHBondContact CG-OE1 3.28Å; R75-E79 PolarHBondContact N-OE1 2.92Å; R75-W140 PolarHBondContact O-NE1 3.43Å
76	N	70.5	Confident	78.6	Confident	50 Å²	50	44.7 Å²	44.7	27%	0.267	24%	0.244	S	C	.	.	S	Bend	trans	-155.7	165.1	174.2	66	70	0	0	0	110.2	Q78 E79 Q80	N76-Q78 VanDerWaalsContact C-N 3.26Å; N76-Q78 PolarHBondContact O-N 2.81Å; N76-Q78 WeakPolarHBondContact OD1-CA 3.42Å; N76-Q78 VanDerWaalsContact OD1-CB 3.32Å; N76-Q78 WeakPolarHBondContact OD1-CB 3.48Å; N76-Q78 PolarHBondContact OD1-N 2.84Å; N76-E79 PolarHBondContact OD1-N 2.91Å; N76-Q80 PolarHBondContact O-N 2.88Å
77	S	71.5	Confident	78.7	Confident	104 Å²	104	43.3 Å²	43.3	73%	0.727	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-5.2	-178.6	55.5	0	0	0	0	114.7
78	Q	70.8	Confident	78.4	Confident	168 Å²	168	48.9 Å²	48.9	79%	0.785	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-35.5	177.3	-56.7	178.4	-69.1	0	0	111.4	N76	N76-Q78 VanDerWaalsContact C-N 3.26Å; N76-Q78 PolarHBondContact O-N 2.81Å; N76-Q78 WeakPolarHBondContact OD1-CA 3.42Å; N76-Q78 VanDerWaalsContact OD1-CB 3.32Å; N76-Q78 WeakPolarHBondContact OD1-CB 3.48Å; N76-Q78 PolarHBondContact OD1-N 2.84Å
79	E	77	Confident	77.6	Confident	44 Å²	44	53.3 Å²	53.3	21%	0.206	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-8	172.2	72.6	171.9	-170.5	0	0	113.6	R72 A74 R75 N76 T81 T108	R72-E79 IonicContact CZ-OE1 2.66Å; R72-E79 IonicContact CZ-OE2 3.79Å; R72-E79 IonicContact NH1-OE1 2.7Å; R72-E79 PolarHBondContact NH1-OE1 3.37Å; R72-E79 IonicContact NH1-OE2 3.75Å; R72-E79 PolarHBondContact NH1-OE2 3.22Å; R72-E79 VanDerWaalsContact NH1-OE2 3.1Å; R72-E79 IonicContact NH2-OE1 3.49Å; R72-E79 IonicContact NH2-OE2 3.94Å; R72-E79 PolarHBondContact NH2-OE2 2.87Å; A74-E79 HydrophobicContact CB-CG 4.48Å; R75-E79 WeakPolarHBondContact CA-OE1 3.19Å; R75-E79 WeakPolarHBondContact CB-OE1 3.27Å; R75-E79 WeakPolarHBondContact CG-OE1 3.28Å; R75-E79 PolarHBondContact N-OE1 2.92Å; N76-E79 PolarHBondContact OD1-N 2.91Å; E79-T81 PolarHBondContact O-N 2.8Å; E79-T81 VanDerWaalsContact O-N 3.08Å; E79-T108 HydrophobicContact CG-CG2 4.49Å; E79-T108 PolarHBondContact O-OG1 3.07Å
80	Q	82.1	Confident	77	Confident	32 Å²	32	54.1 Å²	54.1	15%	0.15	31%	0.306	C	S	.	.			trans	-66.1	108.2	175.9	-172.1	-174.2	-8.7	0	0	110.3	A74 N76 L82 L98 W110	A74-Q80 HydrophobicContact CB-CB 3.95Å; A74-Q80 HydrophobicContact CB-CG 4.22Å; N76-Q80 PolarHBondContact O-N 2.88Å; Q80-L82 VanDerWaalsContact CG-O 3.23Å; Q80-L82 WeakPolarHBondContact CG-O 3.22Å; Q80-L82 PolarHBondContact NE2-O 2.87Å; Q80-L98 HydrophobicContact CG-CD1 4.09Å; Q80-L98 VanDerWaalsContact NE2-CD1 3.3Å; Q80-W110 HydrophobicContact CG-CB 4.03Å
81	T	85.9	Confident	76.7	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.006	31%	0.308	C	S	.	.			trans	-98.8	-28.9	173.5	40.5	0	0	0	0	111.7	E79 L98 V101 E106 L107 T108	E79-T81 PolarHBondContact O-N 2.8Å; E79-T81 VanDerWaalsContact O-N 3.08Å; T81-L98 PolarHBondContact O-N 2.91Å; T81-V101 HydrophobicContact CG2-CG1 4.03Å; T81-V101 HydrophobicContact CG2-CG2 4.04Å; T81-E106 PolarHBondContact OG1-O 3.29Å; T81-L107 WeakPolarHBondContact OG1-CA 3.48Å; T81-T108 PolarHBondContact N-O 2.87Å; T81-T108 PolarHBondContact OG1-N 3.44Å; T81-T108 PolarHBondContact OG1-O 2.97Å
82	L	87.4	Confident	76.6	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	153.7	-176.2	-55	175.9	0	0	0	113.1	F24 I71 Q80 Y95 R96 A97 L107 T108 V109 W110	F24-L82 HydrophobicContact CE1-CD2 3.88Å; F24-L82 HydrophobicContact CZ-CD1 3.73Å; F24-L82 HydrophobicContact CZ-CD2 3.84Å; F24-L82 HydrophobicContact CZ-CG 4.45Å; I71-L82 HydrophobicContact CD1-CD1 3.99Å; I71-L82 HydrophobicContact CG2-CD1 4.15Å; Q80-L82 VanDerWaalsContact CG-O 3.23Å; Q80-L82 WeakPolarHBondContact CG-O 3.22Å; Q80-L82 PolarHBondContact NE2-O 2.87Å; L82-Y95 HydrophobicContact CD1-CD2 4.32Å; L82-R96 CarbonylContact C-O 3.53Å; L82-R96 WeakPolarHBondContact CA-O 3.27Å; L82-A97 HydrophobicContact CD2-CB 4.33Å; L82-L107 HydrophobicContact CD1-CB 3.98Å; L82-L107 HydrophobicContact CD1-CD1 4.39Å; L82-L107 HydrophobicContact CD1-CD2 4.45Å; L82-T108 PolarHBondContact N-O 3.23Å; L82-V109 HydrophobicContact CB-CB 3.9Å; L82-V109 HydrophobicContact CB-CG2 3.89Å; L82-V109 WeakPolarHBondContact O-CA 3.35Å; L82-W110 PolarHBondContact O-N 3.45Å; L82-W110 VanDerWaalsContact O-N 3.12Å
83	E	87.8	Confident	76.8	Confident	28 Å²	28	57.8 Å²	57.8	13%	0.131	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.2	174.1	-177.1	-170.9	-147.7	0	0	110.3	I85 Y95 R96 L98 W110 S112	E83-I85 HydrophobicContact CG-CG2 4.19Å; E83-Y95 WeakPolarHBondContact O-CA 3.36Å; E83-R96 PolarHBondContact N-O 2.96Å; E83-R96 PolarHBondContact O-N 3.33Å; E83-R96 IonicContact OE1-NH2 2.71Å; E83-R96 IonicContact OE2-CZ 2.68Å; E83-R96 VanDerWaalsContact OE2-CZ 3.26Å; E83-R96 IonicContact OE2-NE 3.4Å; E83-R96 PolarHBondContact OE2-NE 2.79Å; E83-R96 IonicContact OE2-NH2 3.53Å; E83-R96 PolarHBondContact OE2-NH2 2.86Å; E83-L98 HydrophobicContact CB-CD1 4.18Å; E83-L98 HydrophobicContact CB-CD2 3.72Å; E83-L98 HydrophobicContact CB-CG 3.78Å; E83-L98 HydrophobicContact CG-CD2 4.34Å; E83-W110 CarbonylContact C-O 3.53Å; E83-W110 VanDerWaalsContact CA-O 3.31Å; E83-W110 WeakPolarHBondContact CA-O 3.45Å; E83-S112 VanDerWaalsContact CD-CB 3.47Å; E83-S112 VanDerWaalsContact OE1-CA 3.25Å; E83-S112 WeakPolarHBondContact OE1-CA 3.39Å; E83-S112 WeakPolarHBondContact OE1-CB 3.34Å
84	A	85.8	Confident	77.2	Confident	4 Å²	4	56.5 Å²	56.5	3%	0.033	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	122.3	173.3	0	0	0	0	0	110.6	I93 F94 Y95 V109 W110 Y111 S112 L115	A84-I93 HydrophobicContact CB-CG2 4.06Å; A84-F94 WeakPolarHBondContact CA-O 3.12Å; A84-Y95 HydrophobicContact CB-CD1 3.91Å; A84-Y95 HydrophobicContact CB-CE1 3.88Å; A84-V109 HydrophobicContact CB-CG2 3.92Å; A84-W110 PolarHBondContact N-O 3.06Å; A84-Y111 HydrophobicContact CB-CD1 4.4Å; A84-S112 VanDerWaalsContact O-CB 3.27Å; A84-S112 WeakPolarHBondContact O-CB 3.12Å; A84-S112 PolarHBondContact O-N 3.46Å; A84-S112 PolarHBondContact O-OG 2.89Å; A84-L115 HydrophobicContact CB-CD2 3.85Å; A84-L115 VanDerWaalsContact O-CD2 3.27Å; A84-L115 WeakPolarHBondContact O-CD2 3.48Å
85	I	84.5	Confident	77.9	Confident	20 Å²	20	57.5 Å²	57.5	10%	0.103	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	156	-179.7	56.7	168.6	0	0	0	110.1	R23 E83 I93 F94 R96	R23-I85 HydrophobicContact CG-CD1 4.4Å; E83-I85 HydrophobicContact CG-CG2 4.19Å; I85-I93 WeakPolarHBondContact O-CA 3.25Å; I85-F94 HydrophobicContact CG1-CB 4.22Å; I85-F94 WeakPolarHBondContact CG1-O 3.47Å; I85-F94 PolarHBondContact N-O 2.83Å; I85-F94 PolarHBondContact O-N 3.27Å; I85-R96 HydrophobicContact CD1-CB 4.01Å; I85-R96 HydrophobicContact CG1-CB 4.39Å
86	A	82.8	Confident	79	Confident	13 Å²	13	56.3 Å²	56.3	11%	0.107	32%	0.315	C	S	.	.			trans	-139.8	142.9	166.3	0	0	0	0	0	107.8	L88 Q92 L115 W118	A86-L88 VanDerWaalsContact C-N 3.3Å; A86-Q92 WeakPolarHBondContact CB-O 3Å; A86-L115 HydrophobicContact CB-CD1 3.98Å; A86-W118 HydrophobicContact CB-CZ3 4.37Å; A86-W118 WeakPolarHBondContact O-CZ3 3.22Å
87	D	76.3	Confident	80	Confident	103 Å²	103	54 Å²	54	55%	0.551	30%	0.304	S	S	*	.	S	Bend	trans	-74.8	-24.7	-178.9	-53.4	-56	0	0	0	112.5	R23	R23-D87 IonicContact CZ-OD1 3.95Å; R23-D87 IonicContact CZ-OD2 3.22Å; R23-D87 IonicContact NH1-OD1 2.71Å; R23-D87 PolarHBondContact NH1-OD1 3.44Å; R23-D87 IonicContact NH1-OD2 2.73Å; R23-D87 PolarHBondContact NH1-OD2 3.09Å; R23-D87 IonicContact NH2-OD1 3.71Å; R23-D87 PolarHBondContact NH2-OD1 3.15Å; R23-D87 IonicContact NH2-OD2 2.86Å; R23-D87 PolarHBondContact NH2-OD2 3.45Å
88	L	71.9	Confident	80.7	Confident	117 Å²	117	52.9 Å²	52.9	61%	0.613	29%	0.289	S	S	*	.	S	Bend	trans	-134	146.5	-174.9	-64	174.3	0	0	0	110	A86 G90 G91	A86-L88 VanDerWaalsContact C-N 3.3Å; L88-G90 PolarHBondContact O-N 3.32Å; L88-G91 PolarHBondContact O-N 3.12Å
89	P	63.5	Low	81.5	Confident	94 Å²	94	49.2 Å²	49.2	61%	0.61	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	120.6	173.3	26.8	-34.1	0	0	0	110	G91 W118	P89-G91 VanDerWaalsContact C-N 3.29Å; P89-W118 HydrophobicContact CB-CD2 4.3Å; P89-W118 HydrophobicContact CB-CE3 4.38Å
90	G	62.8	Low	82.1	Confident	64 Å²	64	51.4 Å²	51.4	66%	0.66	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	6.7	-173	0	0	0	0	0	115.3	L88	L88-G90 PolarHBondContact O-N 3.32Å
91	G	70.9	Confident	82.3	Confident	34 Å²	34	49.9 Å²	49.9	35%	0.351	27%	0.274	S	S	.	.			trans	-75.4	-177.3	175.1	0	0	0	0	0	114.1	L88 P89	L88-G91 PolarHBondContact O-N 3.12Å; P89-G91 VanDerWaalsContact C-N 3.29Å
92	Q	79.6	Confident	82.5	Confident	126 Å²	126	54 Å²	54	59%	0.589	29%	0.293	S	S	*	.			trans	-63.6	141.3	174.3	-68.9	178.2	0.6	0	0	111.3	P26 A86 F94	P26-Q92 HydrophobicContact CB-CB 4Å; P26-Q92 HydrophobicContact CB-CG 4.27Å; A86-Q92 WeakPolarHBondContact CB-O 3Å; Q92-F94 HydrophobicContact CB-CE2 3.71Å; Q92-F94 HydrophobicContact CB-CZ 4.2Å; Q92-F94 WeakPolarHBondContact O-CD2 3.44Å
93	I	83.1	Confident	82.4	Confident	26 Å²	26	57.5 Å²	57.5	13%	0.133	32%	0.316	C	S	.	.			trans	-92.2	136.7	177.9	-62.1	173.7	0	0	0	109.5	P26 V27 F31 A84 I85 Y95	P26-I93 WeakPolarHBondContact CA-O 3.32Å; V27-I93 HydrophobicContact CG2-CB 4.4Å; V27-I93 HydrophobicContact CG2-CG2 4.1Å; V27-I93 PolarHBondContact N-O 3.21Å; F31-I93 HydrophobicContact CB-CD1 4.19Å; F31-I93 HydrophobicContact CD2-CD1 3.33Å; F31-I93 HydrophobicContact CE2-CD1 3.92Å; F31-I93 HydrophobicContact CG-CD1 3.98Å; A84-I93 HydrophobicContact CB-CG2 4.06Å; I85-I93 WeakPolarHBondContact O-CA 3.25Å; I93-Y95 HydrophobicContact CG2-CD1 4.34Å; I93-Y95 HydrophobicContact CG2-CE1 4.03Å
94	F	86.8	Confident	82.2	Confident	30 Å²	30	59.2 Å²	59.2	13%	0.132	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	152.9	174.3	-61.2	-100.6	0	0	0	109.1	R23 P26 A84 I85 Q92	R23-F94 HydrophobicContact CG-CB 3.98Å; R23-F94 HydrophobicContact CG-CD1 4.47Å; R23-F94 HydrophobicContact CG-CG 4.49Å; P26-F94 HydrophobicContact CB-CE1 4.13Å; P26-F94 HydrophobicContact CB-CZ 4.07Å; A84-F94 WeakPolarHBondContact CA-O 3.12Å; I85-F94 HydrophobicContact CG1-CB 4.22Å; I85-F94 WeakPolarHBondContact CG1-O 3.47Å; I85-F94 PolarHBondContact N-O 2.83Å; I85-F94 PolarHBondContact O-N 3.27Å; Q92-F94 HydrophobicContact CB-CE2 3.71Å; Q92-F94 HydrophobicContact CB-CZ 4.2Å; Q92-F94 WeakPolarHBondContact O-CD2 3.44Å
95	Y	88.7	Confident	82.2	Confident	26 Å²	26	61.3 Å²	61.3	10%	0.102	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	135.7	174.1	-61.9	-19	0	0	0	109.9	R23 F24 V27 I68 I71 L82 E83 A84 I93 V109	R23-Y95 CarbonylContact C-O 3.57Å; R23-Y95 VanDerWaalsContact CA-O 3.32Å; R23-Y95 WeakPolarHBondContact CA-O 3.37Å; F24-Y95 HydrophobicContact CE2-CD2 4.25Å; F24-Y95 PolarHBondContact N-O 3.1Å; F24-Y95 PolarHBondContact O-N 3.33Å; V27-Y95 HydrophobicContact CG2-CD1 3.97Å; V27-Y95 HydrophobicContact CG2-CD2 4.32Å; V27-Y95 HydrophobicContact CG2-CE1 3.53Å; V27-Y95 HydrophobicContact CG2-CE2 3.91Å; V27-Y95 HydrophobicContact CG2-CG 4.36Å; V27-Y95 VanDerWaalsContact CG2-CZ 3.49Å; I68-Y95 HydrophobicContact CD1-CD2 3.91Å; I68-Y95 HydrophobicContact CD1-CE2 4.27Å; I68-Y95 HydrophobicContact CD1-CG 4.47Å; I68-Y95 HydrophobicContact CG1-CD2 3.57Å; I68-Y95 HydrophobicContact CG1-CE2 3.6Å; I71-Y95 HydrophobicContact CB-CE2 4.26Å; I71-Y95 HydrophobicContact CD1-CD2 3.73Å; I71-Y95 HydrophobicContact CD1-CE2 3.81Å; I71-Y95 HydrophobicContact CG2-CE2 4.35Å; L82-Y95 HydrophobicContact CD1-CD2 4.32Å; E83-Y95 WeakPolarHBondContact O-CA 3.36Å; A84-Y95 HydrophobicContact CB-CD1 3.91Å; A84-Y95 HydrophobicContact CB-CE1 3.88Å; I93-Y95 HydrophobicContact CG2-CD1 4.34Å; I93-Y95 HydrophobicContact CG2-CE1 4.03Å; Y95-V109 HydrophobicContact CD1-CG2 3.7Å; Y95-V109 HydrophobicContact CD2-CG2 4.48Å; Y95-V109 HydrophobicContact CE1-CG1 4.24Å; Y95-V109 HydrophobicContact CE1-CG2 3.79Å; Y95-V109 HydrophobicContact CE2-CG1 4.24Å; Y95-V109 HydrophobicContact CG-CG2 4.07Å
96	R	89.7	Confident	82.3	Confident	98 Å²	98	63.1 Å²	63.1	37%	0.37	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.2	178	175.3	168.5	67.7	179.1	3.3	109.7	L22 L82 E83 I85 L98	L22-R96 CarbonylContact O-C 3.55Å; L22-R96 VanDerWaalsContact O-CA 3.31Å; L22-R96 WeakPolarHBondContact O-CA 3.34Å; L82-R96 CarbonylContact C-O 3.53Å; L82-R96 WeakPolarHBondContact CA-O 3.27Å; E83-R96 PolarHBondContact N-O 2.96Å; E83-R96 PolarHBondContact O-N 3.33Å; E83-R96 IonicContact OE1-NH2 2.71Å; E83-R96 IonicContact OE2-CZ 2.68Å; E83-R96 VanDerWaalsContact OE2-CZ 3.26Å; E83-R96 IonicContact OE2-NE 3.4Å; E83-R96 PolarHBondContact OE2-NE 2.79Å; E83-R96 IonicContact OE2-NH2 3.53Å; E83-R96 PolarHBondContact OE2-NH2 2.86Å; I85-R96 HydrophobicContact CD1-CB 4.01Å; I85-R96 HydrophobicContact CG1-CB 4.39Å; R96-L98 PolarHBondContact O-N 2.78Å
97	A	90.8	Very high	82.5	Confident	2 Å²	2	62.5 Å²	62.5	2%	0.017	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	127.8	170.5	0	0	0	0	0	110.5	I18 P19 G21 L22 L82	I18-A97 HydrophobicContact CG2-CB 4.39Å; P19-A97 WeakPolarHBondContact O-CB 3.27Å; G21-A97 PolarHBondContact N-O 2.86Å; L22-A97 PolarHBondContact O-N 3.14Å; L82-A97 HydrophobicContact CD2-CB 4.33Å
98	L	86.6	Confident	82.8	Confident	81 Å²	81	57.7 Å²	57.7	42%	0.424	33%	0.327	S	S	.	.	S	Bend	trans	-83.1	-27.9	178.2	-78.2	-177.4	0	0	0	113.5	Q80 T81 E83 R96	Q80-L98 HydrophobicContact CG-CD1 4.09Å; Q80-L98 VanDerWaalsContact NE2-CD1 3.3Å; T81-L98 PolarHBondContact O-N 2.91Å; E83-L98 HydrophobicContact CB-CD1 4.18Å; E83-L98 HydrophobicContact CB-CD2 3.72Å; E83-L98 HydrophobicContact CB-CG 3.78Å; E83-L98 HydrophobicContact CG-CD2 4.34Å; R96-L98 PolarHBondContact O-N 2.78Å
99	R	87.6	Confident	83.4	Confident	91 Å²	91	52.7 Å²	52.7	34%	0.343	30%	0.301	S	S	.	.	S	Bend	trans	-146.6	169	179.9	61.6	175.9	175.6	84.5	-5.2	108.9	V101 E105	R99-V101 PolarHBondContact O-N 2.99Å; R99-V101 VanDerWaalsContact O-N 3.1Å; R99-E105 IonicContact CZ-OE1 2.63Å; R99-E105 IonicContact CZ-OE2 2.63Å; R99-E105 VanDerWaalsContact NH1-CD 3.29Å; R99-E105 IonicContact NH1-OE1 2.68Å; R99-E105 PolarHBondContact NH1-OE1 3.12Å; R99-E105 IonicContact NH1-OE2 3.49Å; R99-E105 PolarHBondContact NH1-OE2 2.93Å; R99-E105 IonicContact NH2-OE1 3.93Å; R99-E105 IonicContact NH2-OE2 3.46Å; R99-E105 PolarHBondContact NH2-OE2 2.96Å
100	D	88.9	Confident	84.3	Confident	89 Å²	89	50.7 Å²	50.7	48%	0.476	28%	0.282	S	S	.	.			trans	-65.4	110.9	172.1	-56.1	-52.3	0	0	0	109.5	I18 P19 A20 Q102	I18-D100 WeakPolarHBondContact O-CA 3.31Å; P19-D100 WeakPolarHBondContact CA-OD1 3.4Å; A20-D100 PolarHBondContact N-OD1 3.18Å; D100-Q102 PolarHBondContact O-NE2 3.2Å
101	V	87.1	Confident	85.2	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-84.2	122.9	-180	-173.5	0	0	0	0	108.1	A14 C17 I18 T81 R99 E105 L107	A14-V101 HydrophobicContact CB-CG1 3.99Å; C17-V101 WeakPolarHBondContact CA-O 3.47Å; I18-V101 HydrophobicContact CB-CB 4.12Å; I18-V101 HydrophobicContact CB-CG2 4.48Å; I18-V101 PolarHBondContact N-O 3.34Å; I18-V101 PolarHBondContact O-N 3.34Å; T81-V101 HydrophobicContact CG2-CG1 4.03Å; T81-V101 HydrophobicContact CG2-CG2 4.04Å; R99-V101 PolarHBondContact O-N 2.99Å; R99-V101 VanDerWaalsContact O-N 3.1Å; V101-E105 HydrophobicContact CG1-CB 3.64Å; V101-E105 HydrophobicContact CG1-CG 4.43Å; V101-L107 HydrophobicContact CG1-CD2 4Å
102	Q	89.4	Confident	85.5	Confident	89 Å²	89	49.4 Å²	49.4	42%	0.416	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-80.8	155.5	-176.5	-57.5	-53.2	-53.1	0	0	112.5	D100 G104 E105	D100-Q102 PolarHBondContact O-NE2 3.2Å; Q102-G104 PolarHBondContact O-N 3Å; Q102-E105 HydrophobicContact CB-CG 4.16Å; Q102-E105 WeakPolarHBondContact CB-OE1 3.29Å; Q102-E105 PolarHBondContact N-OE1 2.69Å; Q102-E105 WeakPolarHBondContact O-CB 3.23Å; Q102-E105 PolarHBondContact O-N 3.02Å; Q102-E105 VanDerWaalsContact O-N 3.07Å
103	P	86.9	Confident	85.2	Confident	73 Å²	73	48.7 Å²	48.7	47%	0.474	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	132.6	170.9	-22.4	31.9	0	0	0	111.4
104	G	82.3	Confident	84.7	Confident	63 Å²	63	50.5 Å²	50.5	65%	0.649	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	-11.6	-175.9	0	0	0	0	0	115.3	A14 Q102	A14-G104 PolarHBondContact O-N 3.08Å; Q102-G104 PolarHBondContact O-N 3Å
105	E	86.9	Confident	83.9	Confident	49 Å²	49	49.1 Å²	49.1	23%	0.229	26%	0.257	C	S	.	.			trans	-71.9	147.5	174	-71.2	-165	-120.3	0	0	112.5	S13 A14 R99 V101 Q102	S13-E105 CarbonylContact C-O 3.55Å; S13-E105 WeakPolarHBondContact CA-O 3.47Å; S13-E105 VanDerWaalsContact CB-O 3.27Å; S13-E105 WeakPolarHBondContact CB-O 3.48Å; A14-E105 PolarHBondContact N-O 2.66Å; R99-E105 IonicContact CZ-OE1 2.63Å; R99-E105 IonicContact CZ-OE2 2.63Å; R99-E105 VanDerWaalsContact NH1-CD 3.29Å; R99-E105 IonicContact NH1-OE1 2.68Å; R99-E105 PolarHBondContact NH1-OE1 3.12Å; R99-E105 IonicContact NH1-OE2 3.49Å; R99-E105 PolarHBondContact NH1-OE2 2.93Å; R99-E105 IonicContact NH2-OE1 3.93Å; R99-E105 IonicContact NH2-OE2 3.46Å; R99-E105 PolarHBondContact NH2-OE2 2.96Å; V101-E105 HydrophobicContact CG1-CB 3.64Å; V101-E105 HydrophobicContact CG1-CG 4.43Å; Q102-E105 HydrophobicContact CB-CG 4.16Å; Q102-E105 WeakPolarHBondContact CB-OE1 3.29Å; Q102-E105 PolarHBondContact N-OE1 2.69Å; Q102-E105 WeakPolarHBondContact O-CB 3.23Å; Q102-E105 PolarHBondContact O-N 3.02Å; Q102-E105 VanDerWaalsContact O-N 3.07Å
106	E	86.8	Confident	82.9	Confident	58 Å²	58	48 Å²	48	27%	0.271	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-82.8	137.3	175.3	-159.9	-176.3	-179.3	0	0	111.7	S11 V12 R72 T81 T108	S11-E106 WeakPolarHBondContact CB-OE1 3.49Å; V12-E106 WeakPolarHBondContact O-CG 3.3Å; R72-E106 WeakPolarHBondContact CD-OE1 3.14Å; R72-E106 IonicContact CZ-OE1 2.66Å; R72-E106 IonicContact CZ-OE2 3.26Å; R72-E106 IonicContact NE-OE1 3.12Å; R72-E106 PolarHBondContact NE-OE1 3.37Å; R72-E106 IonicContact NE-OE2 3.26Å; R72-E106 PolarHBondContact NE-OE2 2.8Å; R72-E106 IonicContact NH2-OE2 3.89Å; R72-E106 PolarHBondContact NH2-OE2 2.89Å; T81-E106 PolarHBondContact OG1-O 3.29Å; E106-T108 HydrophobicContact CB-CG2 4.44Å; E106-T108 HydrophobicContact CG-CG2 4.41Å; E106-T108 PolarHBondContact O-N 2.77Å
107	L	85.9	Confident	81.7	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.267	C	S	.	.			trans	-78.9	112	171.2	-60.9	-168.7	0	0	0	109.6	V12 I18 V49 W67 I71 T81 L82 V101	V12-L107 HydrophobicContact CB-CB 4.45Å; V12-L107 HydrophobicContact CG1-CD1 4.03Å; V12-L107 HydrophobicContact CG1-CG 4.47Å; V12-L107 PolarHBondContact O-N 3.44Å; I18-L107 HydrophobicContact CD1-CD1 4.28Å; I18-L107 HydrophobicContact CD1-CD2 3.98Å; V49-L107 HydrophobicContact CG2-CD1 3.61Å; W67-L107 HydrophobicContact CZ3-CD1 4.28Å; I71-L107 HydrophobicContact CD1-CD1 4.48Å; I71-L107 HydrophobicContact CG1-CB 4.46Å; I71-L107 HydrophobicContact CG2-CB 4.37Å; I71-L107 WeakPolarHBondContact CG2-O 3.2Å; T81-L107 WeakPolarHBondContact OG1-CA 3.48Å; L82-L107 HydrophobicContact CD1-CB 3.98Å; L82-L107 HydrophobicContact CD1-CD1 4.39Å; L82-L107 HydrophobicContact CD1-CD2 4.45Å; V101-L107 HydrophobicContact CG1-CD2 4Å
108	T	83.3	Confident	80.4	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.4	172.4	94.3	0	0	0	0	109.5	R72 A74 E79 T81 L82 E106	R72-T108 HydrophobicContact CG-CG2 4.01Å; R72-T108 VanDerWaalsContact O-CA 3.29Å; R72-T108 WeakPolarHBondContact O-CA 3.33Å; A74-T108 WeakPolarHBondContact CA-OG1 3.42Å; A74-T108 VanDerWaalsContact CB-OG1 3.22Å; A74-T108 WeakPolarHBondContact CB-OG1 3.45Å; E79-T108 HydrophobicContact CG-CG2 4.49Å; E79-T108 PolarHBondContact O-OG1 3.07Å; T81-T108 PolarHBondContact N-O 2.87Å; T81-T108 PolarHBondContact OG1-N 3.44Å; T81-T108 PolarHBondContact OG1-O 2.97Å; L82-T108 PolarHBondContact N-O 3.23Å; E106-T108 HydrophobicContact CB-CG2 4.44Å; E106-T108 HydrophobicContact CG-CG2 4.41Å; E106-T108 PolarHBondContact O-N 2.77Å
109	V	84.7	Confident	79.1	Confident	13 Å²	13	54.6 Å²	54.6	8%	0.079	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	139.6	-172.7	67.8	0	0	0	0	112	I71 R72 A73 A74 L82 A84 Y95	I71-V109 HydrophobicContact CG2-CB 4.13Å; I71-V109 HydrophobicContact CG2-CG1 3.91Å; R72-V109 PolarHBondContact O-N 3.09Å; A73-V109 CarbonylContact C-O 3.54Å; A73-V109 VanDerWaalsContact CA-O 3.3Å; A73-V109 WeakPolarHBondContact CA-O 3.38Å; A74-V109 PolarHBondContact N-O 3.21Å; L82-V109 HydrophobicContact CB-CB 3.9Å; L82-V109 HydrophobicContact CB-CG2 3.89Å; L82-V109 WeakPolarHBondContact O-CA 3.35Å; A84-V109 HydrophobicContact CB-CG2 3.92Å; Y95-V109 HydrophobicContact CD1-CG2 3.7Å; Y95-V109 HydrophobicContact CD2-CG2 4.48Å; Y95-V109 HydrophobicContact CE1-CG1 4.24Å; Y95-V109 HydrophobicContact CE1-CG2 3.79Å; Y95-V109 HydrophobicContact CE2-CG1 4.24Å; Y95-V109 HydrophobicContact CG-CG2 4.07Å
110	W	82.3	Confident	77.5	Confident	52 Å²	52	57.4 Å²	57.4	20%	0.197	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	161.7	165.6	-161.6	-112.1	0	0	0	111.5	A73 A74 Q80 L82 E83 A84 W140	A73-W110 HydrophobicContact CB-CE3 4.49Å; A73-W110 HydrophobicContact CB-CZ3 4.3Å; A74-W110 HydrophobicContact CB-CB 4.13Å; Q80-W110 HydrophobicContact CG-CB 4.03Å; L82-W110 PolarHBondContact O-N 3.45Å; L82-W110 VanDerWaalsContact O-N 3.12Å; E83-W110 CarbonylContact C-O 3.53Å; E83-W110 VanDerWaalsContact CA-O 3.31Å; E83-W110 WeakPolarHBondContact CA-O 3.45Å; A84-W110 PolarHBondContact N-O 3.06Å; W110-W140 AromaticContact CH2-CH2 3.59Å; W110-W140 HydrophobicContact CH2-CH2 3.59Å; W110-W140 AromaticContact CH2-CZ2 3.43Å; W110-W140 HydrophobicContact CH2-CZ2 3.43Å; W110-W140 VanDerWaalsContact CH2-CZ2 3.43Å; W110-W140 HydrophobicContact CZ2-CH2 4.2Å; W110-W140 AromaticContact CZ2-CZ2 4Å; W110-W140 HydrophobicContact CZ2-CZ2 4Å; W110-W140 HydrophobicContact CZ3-CH2 4.36Å; W110-W140 AromaticContact CZ3-CZ2 3.89Å; W110-W140 HydrophobicContact CZ3-CZ2 3.89Å
111	Y	80.8	Confident	76	Confident	64 Å²	64	54 Å²	54	25%	0.251	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	137.4	178.7	-46.5	-69	0	0	0	111.2	F31 A84 L115 I121	F31-Y111 AromaticContact CE2-CE1 3.83Å; F31-Y111 HydrophobicContact CE2-CE1 3.83Å; F31-Y111 AromaticContact CZ-CE1 3.95Å; F31-Y111 HydrophobicContact CZ-CE1 3.95Å; A84-Y111 HydrophobicContact CB-CD1 4.4Å; Y111-L115 HydrophobicContact CD1-CD2 4.1Å; Y111-I121 HydrophobicContact CD1-CD1 4.22Å; Y111-I121 HydrophobicContact CD2-CD1 3.96Å; Y111-I121 HydrophobicContact CD2-CG2 4.08Å; Y111-I121 HydrophobicContact CE1-CD1 4.32Å; Y111-I121 HydrophobicContact CE2-CD1 4.06Å; Y111-I121 HydrophobicContact CE2-CG2 4.19Å; Y111-I121 HydrophobicContact CG-CD1 4.05Å
112	S	78.2	Confident	74.1	Confident	7 Å²	7	57 Å²	57	5%	0.049	30%	0.303	C	S	.	.			trans	-58.1	150.6	163.4	55.4	0	0	0	0	110.5	E83 A84 S114 L115 A116	E83-S112 VanDerWaalsContact CD-CB 3.47Å; E83-S112 VanDerWaalsContact OE1-CA 3.25Å; E83-S112 WeakPolarHBondContact OE1-CA 3.39Å; E83-S112 WeakPolarHBondContact OE1-CB 3.34Å; A84-S112 VanDerWaalsContact O-CB 3.27Å; A84-S112 WeakPolarHBondContact O-CB 3.12Å; A84-S112 PolarHBondContact O-N 3.46Å; A84-S112 PolarHBondContact O-OG 2.89Å; S112-S114 PolarHBondContact O-N 2.89Å; S112-L115 PolarHBondContact O-N 2.96Å; S112-L115 VanDerWaalsContact O-N 3.1Å; S112-L115 WeakPolarHBondContact OG-CB 3.32Å; S112-L115 PolarHBondContact OG-N 3.08Å; S112-A116 WeakPolarHBondContact O-CB 3.24Å; S112-A116 PolarHBondContact O-N 3.45Å
113	N	71.7	Confident	72.3	Confident	110 Å²	110	56.9 Å²	56.9	59%	0.588	31%	0.308	S	S	*	.	H	α-helix	trans	-58.8	-35	-179.6	-167.8	47.5	0	0	0	111.9	Q117	N113-Q117 VanDerWaalsContact O-CB 3.24Å; N113-Q117 WeakPolarHBondContact O-CB 3.45Å; N113-Q117 PolarHBondContact O-N 2.82Å
114	S	72.6	Confident	70.3	Confident	65 Å²	65	58.6 Å²	58.6	46%	0.455	32%	0.318	S	S	.	.	H	α-helix	trans	-68	-43.9	174.6	-55.6	0	0	0	0	112.9	S112 Q117 W118	S112-S114 PolarHBondContact O-N 2.89Å; S114-Q117 PolarHBondContact O-N 2.94Å; S114-W118 VanDerWaalsContact O-CG 3.26Å; S114-W118 PolarHBondContact O-N 2.84Å
115	L	71.3	Confident	68.4	Low	1 Å²	1	58.8 Å²	58.8	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-66	-41.2	176.7	-173	69.2	0	0	0	111.2	A84 A86 Y111 S112 W118 F119	A84-L115 HydrophobicContact CB-CD2 3.85Å; A84-L115 VanDerWaalsContact O-CD2 3.27Å; A84-L115 WeakPolarHBondContact O-CD2 3.48Å; A86-L115 HydrophobicContact CB-CD1 3.98Å; Y111-L115 HydrophobicContact CD1-CD2 4.1Å; S112-L115 PolarHBondContact O-N 2.96Å; S112-L115 VanDerWaalsContact O-N 3.1Å; S112-L115 WeakPolarHBondContact OG-CB 3.32Å; S112-L115 PolarHBondContact OG-N 3.08Å; L115-W118 HydrophobicContact CD1-CE3 4.32Å; L115-W118 PolarHBondContact O-N 3.42Å; L115-F119 HydrophobicContact CD1-CD2 3.78Å; L115-F119 HydrophobicContact CD1-CE2 3.61Å; L115-F119 HydrophobicContact CG-CD2 4.2Å; L115-F119 HydrophobicContact CG-CE2 4.46Å; L115-F119 WeakPolarHBondContact O-CD2 3.36Å; L115-F119 PolarHBondContact O-N 3.42Å; L115-F119 VanDerWaalsContact O-N 3.16Å
116	A	67.7	Low	66.4	Low	2 Å²	2	60 Å²	60	2%	0.017	32%	0.324	C	S	.	.	H	α-helix	trans	-60.6	-44.5	173.9	0	0	0	0	0	111.5	S112 W118 F119 D120 I121 T123	S112-A116 WeakPolarHBondContact O-CB 3.24Å; S112-A116 PolarHBondContact O-N 3.45Å; A116-W118 PolarHBondContact O-N 2.96Å; A116-F119 PolarHBondContact O-N 3.03Å; A116-D120 PolarHBondContact O-N 3.16Å; A116-D120 VanDerWaalsContact O-N 3.14Å; A116-I121 HydrophobicContact CB-CB 4.13Å; A116-I121 PolarHBondContact O-N 3.27Å; A116-T123 HydrophobicContact CB-CG2 3.95Å
117	Q	63.1	Low	64.3	Low	141 Å²	141	60 Å²	60	66%	0.659	33%	0.329	S	S	*	.	H	α-helix	trans	-64.5	-34	176.4	-174	178.6	14	0	0	113.3	N113 S114	N113-Q117 VanDerWaalsContact O-CB 3.24Å; N113-Q117 WeakPolarHBondContact O-CB 3.45Å; N113-Q117 PolarHBondContact O-N 2.82Å; S114-Q117 PolarHBondContact O-N 2.94Å
118	W	63.5	Low	62.7	Low	115 Å²	115	62.6 Å²	62.6	44%	0.436	35%	0.345	S	S	.	.	H	α-helix	trans	-73.7	-28.5	176.8	-68.3	-18.7	0	0	0	114	A86 P89 S114 L115 A116	A86-W118 HydrophobicContact CB-CZ3 4.37Å; A86-W118 WeakPolarHBondContact O-CZ3 3.22Å; P89-W118 HydrophobicContact CB-CD2 4.3Å; P89-W118 HydrophobicContact CB-CE3 4.38Å; S114-W118 VanDerWaalsContact O-CG 3.26Å; S114-W118 PolarHBondContact O-N 2.84Å; L115-W118 HydrophobicContact CD1-CE3 4.32Å; L115-W118 PolarHBondContact O-N 3.42Å; A116-W118 PolarHBondContact O-N 2.96Å
119	F	60.7	Low	60.9	Low	64 Å²	64	69 Å²	69	28%	0.281	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	15.4	-179.1	-75.4	-75.9	0	0	0	113.4	F31 L115 A116 I121	F31-F119 AromaticContact CD1-CD1 3.76Å; F31-F119 HydrophobicContact CD1-CD1 3.76Å; F31-F119 HydrophobicContact CD1-CD2 4.34Å; F31-F119 AromaticContact CD1-CE1 3.63Å; F31-F119 HydrophobicContact CD1-CE1 3.63Å; F31-F119 HydrophobicContact CD1-CE2 4.23Å; F31-F119 HydrophobicContact CD1-CG 4.12Å; F31-F119 AromaticContact CD1-CZ 3.88Å; F31-F119 HydrophobicContact CD1-CZ 3.88Å; F31-F119 HydrophobicContact CE1-CB 4.1Å; F31-F119 AromaticContact CE1-CD1 3.69Å; F31-F119 HydrophobicContact CE1-CD1 3.69Å; F31-F119 AromaticContact CE1-CD2 3.96Å; F31-F119 HydrophobicContact CE1-CD2 3.96Å; F31-F119 HydrophobicContact CE1-CE1 4.04Å; F31-F119 HydrophobicContact CE1-CE2 4.28Å; F31-F119 AromaticContact CE1-CG 3.64Å; F31-F119 HydrophobicContact CE1-CG 3.64Å; F31-F119 HydrophobicContact CE1-CZ 4.32Å; L115-F119 HydrophobicContact CD1-CD2 3.78Å; L115-F119 HydrophobicContact CD1-CE2 3.61Å; L115-F119 HydrophobicContact CG-CD2 4.2Å; L115-F119 HydrophobicContact CG-CE2 4.46Å; L115-F119 WeakPolarHBondContact O-CD2 3.36Å; L115-F119 PolarHBondContact O-N 3.42Å; L115-F119 VanDerWaalsContact O-N 3.16Å; A116-F119 PolarHBondContact O-N 3.03Å; F119-I121 HydrophobicContact CB-CD1 3.83Å; F119-I121 HydrophobicContact CB-CG1 3.71Å; F119-I121 PolarHBondContact O-N 2.92Å; F119-I121 VanDerWaalsContact O-N 3.11Å
120	D	54.4	Low	59.2	Low	149 Å²	149	70.8 Å²	70.8	80%	0.797	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	32.3	-175.9	-82.1	-38.9	0	0	0	113.6	A116 P122	A116-D120 PolarHBondContact O-N 3.16Å; A116-D120 VanDerWaalsContact O-N 3.14Å; D120-P122 WeakPolarHBondContact O-CD 3.49Å
121	I	56.1	Low	57.7	Low	19 Å²	19	78.5 Å²	78.5	10%	0.097	42%	0.422	C	S	.	.			trans	-80	116.7	-178.2	-51.8	178.3	0	0	0	109	F31 L33 Y111 A116 F119 T123	F31-I121 HydrophobicContact CE1-CD1 4.29Å; F31-I121 HydrophobicContact CZ-CD1 3.86Å; L33-I121 HydrophobicContact CD1-CD1 3.96Å; L33-I121 HydrophobicContact CD1-CG1 3.94Å; L33-I121 HydrophobicContact CD2-CG1 4.01Å; Y111-I121 HydrophobicContact CD1-CD1 4.22Å; Y111-I121 HydrophobicContact CD2-CD1 3.96Å; Y111-I121 HydrophobicContact CD2-CG2 4.08Å; Y111-I121 HydrophobicContact CE1-CD1 4.32Å; Y111-I121 HydrophobicContact CE2-CD1 4.06Å; Y111-I121 HydrophobicContact CE2-CG2 4.19Å; Y111-I121 HydrophobicContact CG-CD1 4.05Å; A116-I121 HydrophobicContact CB-CB 4.13Å; A116-I121 PolarHBondContact O-N 3.27Å; F119-I121 HydrophobicContact CB-CD1 3.83Å; F119-I121 HydrophobicContact CB-CG1 3.71Å; F119-I121 PolarHBondContact O-N 2.92Å; F119-I121 VanDerWaalsContact O-N 3.11Å; I121-T123 PolarHBondContact O-N 2.94Å
122	P	47.5	Very low	56.1	Low	63 Å²	63	84.4 Å²	84.4	41%	0.409	45%	0.449	S	S	.	.			trans	-71.7	115.8	-177.4	27.4	-32.4	0	0	0	111.3	D120 T124 T126	D120-P122 WeakPolarHBondContact O-CD 3.49Å; P122-T124 PolarHBondContact O-N 3.34Å; P122-T126 HydrophobicContact CB-CG2 3.51Å; P122-T126 HydrophobicContact CG-CG2 3.97Å; P122-T126 WeakPolarHBondContact CG-OG1 3.33Å
123	T	52.3	Low	54.7	Low	85 Å²	85	86.5 Å²	86.5	52%	0.521	47%	0.471	S	S	.	.	S	Bend	trans	-73.3	-10.1	176.3	50.5	0	0	0	0	113.6	A116 I121	A116-T123 HydrophobicContact CB-CG2 3.95Å; I121-T123 PolarHBondContact O-N 2.94Å
124	T	43.5	Very low	53.9	Low	110 Å²	110	83.6 Å²	83.6	68%	0.675	45%	0.454	S	S	*	.	S	Bend	trans	-130.5	133.3	173	57.1	0	0	0	0	109.9	P122 T126	P122-T124 PolarHBondContact O-N 3.34Å; T124-T126 PolarHBondContact O-N 2.87Å
125	A	42.8	Very low	53.2	Low	67 Å²	67	85.8 Å²	85.8	55%	0.554	46%	0.457	S	S	*	.			trans	-49	105.7	-168.9	0	0	0	0	0	114.6
126	T	46.1	Very low	52.9	Low	74 Å²	74	89 Å²	89	45%	0.454	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-81	150	170.7	46.9	0	0	0	0	111.5	P122 T124 T128	P122-T126 HydrophobicContact CB-CG2 3.51Å; P122-T126 HydrophobicContact CG-CG2 3.97Å; P122-T126 WeakPolarHBondContact CG-OG1 3.33Å; T124-T126 PolarHBondContact O-N 2.87Å; T126-T128 PolarHBondContact O-N 3.14Å
127	P	42.6	Very low	52.8	Low	57 Å²	57	91.1 Å²	91.1	37%	0.37	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-62.2	127.2	168.7	27.1	-33.2	0	0	0	110.4	E135 R136 Y137	P127-E135 HydrophobicContact CB-CB 4.28Å; P127-R136 CarbonylContact C-O 3.57Å; P127-R136 WeakPolarHBondContact CA-O 3.3Å; P127-Y137 HydrophobicContact CB-CD1 4.35Å; P127-Y137 HydrophobicContact CB-CE1 4.05Å; P127-Y137 HydrophobicContact CB-CE2 4.26Å; P127-Y137 HydrophobicContact CG-CE1 4.43Å
128	T	51.3	Low	52.9	Low	55 Å²	55	86.9 Å²	86.9	34%	0.337	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	135.7	164.4	49.7	0	0	0	0	108.7	T126 R136 I138	T126-T128 PolarHBondContact O-N 3.14Å; T128-R136 PolarHBondContact N-O 3.35Å; T128-R136 WeakPolarHBondContact O-CA 3.46Å; T128-R136 PolarHBondContact O-N 3.16Å; T128-R136 VanDerWaalsContact O-O 3.08Å; T128-R136 PolarHBondContact OG1-O 3.46Å; T128-R136 VanDerWaalsContact OG1-O 3.08Å; T128-I138 HydrophobicContact CG2-CD1 3.59Å; T128-I138 HydrophobicContact CG2-CG1 4.24Å
129	H	45.9	Very low	53.2	Low	137 Å²	137	81.4 Å²	81.4	63%	0.634	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	117.1	179.2	176.7	-66.8	0	0	0	108.9	G133 E134	H129-G133 WeakPolarHBondContact CE1-CA 3.2Å; H129-G133 WeakPolarHBondContact NE2-CA 3.44Å; H129-E134 WeakPolarHBondContact CA-O 3.3Å
130	D	49.3	Very low	52.9	Low	49 Å²	49	83.6 Å²	83.6	26%	0.262	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-68.8	165.6	179.1	-83.4	39.5	0	0	0	111.4	K132 G133 E134 R136	D130-K132 PolarHBondContact O-N 3.3Å; D130-G133 PolarHBondContact O-N 2.87Å; D130-E134 PolarHBondContact N-O 3.37Å; D130-E134 VanDerWaalsContact N-O 3.13Å; D130-R136 VanDerWaalsContact CG-CD 3.46Å; D130-R136 VanDerWaalsContact OD1-CD 3.3Å; D130-R136 WeakPolarHBondContact OD1-CD 3.29Å; D130-R136 IonicContact OD1-NE 2.83Å; D130-R136 WeakPolarHBondContact OD2-CD 3.5Å; D130-R136 IonicContact OD2-CZ 3.19Å; D130-R136 IonicContact OD2-NE 2.93Å; D130-R136 PolarHBondContact OD2-NE 2.85Å; D130-R136 IonicContact OD2-NH1 3.05Å; D130-R136 PolarHBondContact OD2-NH1 2.74Å
131	E	49.5	Very low	53	Low	215 Å²	215	82.9 Å²	82.9	100%	1.005	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-13.9	179.1	-57.6	-178	144.7	0	0	114
132	K	48.3	Very low	53.4	Low	188 Å²	188	84.2 Å²	84.2	82%	0.817	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	7	-172.9	-140.2	-178.1	-175.4	-177.4	0	115.9	D130	D130-K132 PolarHBondContact O-N 3.3Å
133	G	48.5	Very low	53.8	Low	51 Å²	51	88.4 Å²	88.4	53%	0.526	45%	0.45	S	S	.	.	S	Bend	trans	96.6	1.9	177.4	0	0	0	0	0	116.3	H129 D130	H129-G133 WeakPolarHBondContact CE1-CA 3.2Å; H129-G133 WeakPolarHBondContact NE2-CA 3.44Å; D130-G133 PolarHBondContact O-N 2.87Å
134	E	54.6	Low	54.2	Low	48 Å²	48	92.1 Å²	92.1	22%	0.224	45%	0.454	C	S	.	.			trans	-100.1	133.9	-171.1	-61.8	-165.8	120.7	0	0	113.3	H129 D130 R136 R147	H129-E134 WeakPolarHBondContact CA-O 3.3Å; D130-E134 PolarHBondContact N-O 3.37Å; D130-E134 VanDerWaalsContact N-O 3.13Å; E134-R136 PolarHBondContact O-N 2.89Å; E134-R136 IonicContact OE2-CZ 3.22Å; E134-R136 IonicContact OE2-NE 3.97Å; E134-R136 PolarHBondContact OE2-NE 2.72Å; E134-R136 IonicContact OE2-NH2 3.86Å; E134-R136 PolarHBondContact OE2-NH2 2.75Å; E134-R147 IonicContact OE1-CZ 3.2Å; E134-R147 IonicContact OE1-NE 3.95Å; E134-R147 PolarHBondContact OE1-NE 3.44Å; E134-R147 IonicContact OE1-NH2 2.92Å; E134-R147 PolarHBondContact OE1-NH2 3.34Å
135	E	57.3	Low	55.2	Low	111 Å²	111	90.4 Å²	90.4	52%	0.519	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	124.9	165.6	-65.6	-172	176.8	0	0	111	P127 Y137	P127-E135 HydrophobicContact CB-CB 4.28Å; E135-Y137 HydrophobicContact CB-CE2 3.98Å; E135-Y137 PolarHBondContact OE2-OH 3.2Å
136	R	66.5	Low	56.4	Low	70 Å²	70	88.9 Å²	88.9	26%	0.264	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.7	173.3	-56.8	-160.1	-179.9	172.5	-8.8	110.9	P127 T128 D130 E134 F146	P127-R136 CarbonylContact C-O 3.57Å; P127-R136 WeakPolarHBondContact CA-O 3.3Å; T128-R136 PolarHBondContact N-O 3.35Å; T128-R136 WeakPolarHBondContact O-CA 3.46Å; T128-R136 PolarHBondContact O-N 3.16Å; T128-R136 VanDerWaalsContact O-O 3.08Å; T128-R136 PolarHBondContact OG1-O 3.46Å; T128-R136 VanDerWaalsContact OG1-O 3.08Å; D130-R136 VanDerWaalsContact CG-CD 3.46Å; D130-R136 VanDerWaalsContact OD1-CD 3.3Å; D130-R136 WeakPolarHBondContact OD1-CD 3.29Å; D130-R136 IonicContact OD1-NE 2.83Å; D130-R136 WeakPolarHBondContact OD2-CD 3.5Å; D130-R136 IonicContact OD2-CZ 3.19Å; D130-R136 IonicContact OD2-NE 2.93Å; D130-R136 PolarHBondContact OD2-NE 2.85Å; D130-R136 IonicContact OD2-NH1 3.05Å; D130-R136 PolarHBondContact OD2-NH1 2.74Å; E134-R136 PolarHBondContact O-N 2.89Å; E134-R136 IonicContact OE2-CZ 3.22Å; E134-R136 IonicContact OE2-NE 3.97Å; E134-R136 PolarHBondContact OE2-NE 2.72Å; E134-R136 IonicContact OE2-NH2 3.86Å; E134-R136 PolarHBondContact OE2-NH2 2.75Å; R136-F146 CarbonylContact C-O 3.59Å; R136-F146 WeakPolarHBondContact CA-O 3.39Å
137	Y	64.3	Low	57.1	Low	46 Å²	46	91.9 Å²	91.9	18%	0.18	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	111.7	-172.6	-65.7	-100.4	0	0	0	108.3	P127 E135 F146 P149	P127-Y137 HydrophobicContact CB-CD1 4.35Å; P127-Y137 HydrophobicContact CB-CE1 4.05Å; P127-Y137 HydrophobicContact CB-CE2 4.26Å; P127-Y137 HydrophobicContact CG-CE1 4.43Å; E135-Y137 HydrophobicContact CB-CE2 3.98Å; E135-Y137 PolarHBondContact OE2-OH 3.2Å; Y137-F146 PolarHBondContact N-O 3.1Å; Y137-F146 WeakPolarHBondContact O-CB 3Å; Y137-F146 PolarHBondContact O-N 3.22Å; Y137-P149 HydrophobicContact CD1-CB 4Å; Y137-P149 HydrophobicContact CE1-CB 3.89Å; Y137-P149 HydrophobicContact CE1-CG 4.32Å; Y137-P149 HydrophobicContact CG-CB 4.45Å
138	I	66.8	Low	58.3	Low	52 Å²	52	95.7 Å²	95.7	27%	0.267	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	131.1	-177.2	-59.7	-177.2	0	0	0	110.5	T128 W140 T145	T128-I138 HydrophobicContact CG2-CD1 3.59Å; T128-I138 HydrophobicContact CG2-CG1 4.24Å; I138-W140 PolarHBondContact O-N 2.83Å; I138-T145 HydrophobicContact CG1-CG2 4.06Å
139	C	69.6	Low	58.7	Low	0 Å²	0	96 Å²	96	0%	0	44%	0.438	C	S	.	.			trans	-76.6	111.4	167.1	-178.6	0	0	0	0	110.7	Y141 C142 W143 R144 F146 L152 H155 L156 C160	C139-Y141 PolarHBondContact O-N 3.3Å; C139-Y141 VanDerWaalsContact O-N 3.1Å; C139-C142 PolarHBondContact O-N 3.04Å; C139-W143 VanDerWaalsContact O-CA 3.25Å; C139-W143 WeakPolarHBondContact O-CA 3.44Å; C139-W143 PolarHBondContact O-N 2.86Å; C139-R144 PolarHBondContact N-O 3.25Å; C139-F146 HydrophobicContact CB-CD2 4.21Å; C139-F146 HydrophobicContact CB-CE2 3.66Å; C139-L152 VanDerWaalsContact CA-CD1 3.46Å; C139-L152 HydrophobicContact CB-CD1 3.49Å; C139-L152 VanDerWaalsContact CB-CD1 3.49Å; C139-H155 PolarHBondContact SG-CD2 2.73Å; C139-H155 PolarHBondContact SG-NE2 3.21Å; C139-L156 VanDerWaalsContact SG-CD2 3.56Å; C139-C160 PolarHBondContact SG-SG 3.42Å
140	W	53.3	Low	59.4	Low	109 Å²	109	95.4 Å²	95.4	41%	0.413	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-30.5	-178.2	-159.9	-105.6	0	0	0	114.8	R75 W110 I138 W143	R75-W140 PolarHBondContact O-NE1 3.43Å; W110-W140 AromaticContact CH2-CH2 3.59Å; W110-W140 HydrophobicContact CH2-CH2 3.59Å; W110-W140 AromaticContact CH2-CZ2 3.43Å; W110-W140 HydrophobicContact CH2-CZ2 3.43Å; W110-W140 VanDerWaalsContact CH2-CZ2 3.43Å; W110-W140 HydrophobicContact CZ2-CH2 4.2Å; W110-W140 AromaticContact CZ2-CZ2 4Å; W110-W140 HydrophobicContact CZ2-CZ2 4Å; W110-W140 HydrophobicContact CZ3-CH2 4.36Å; W110-W140 AromaticContact CZ3-CZ2 3.89Å; W110-W140 HydrophobicContact CZ3-CZ2 3.89Å; I138-W140 PolarHBondContact O-N 2.83Å; W140-W143 VanDerWaalsContact O-CD1 3.32Å; W140-W143 PolarHBondContact O-NE1 3.37Å
141	Y	57.4	Low	60.5	Low	134 Å²	134	95.2 Å²	95.2	53%	0.525	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-22.7	-174.2	-62	-93.4	0	0	0	114.6	C139 L156 C160	C139-Y141 PolarHBondContact O-N 3.3Å; C139-Y141 VanDerWaalsContact O-N 3.1Å; Y141-L156 HydrophobicContact CD2-CD2 3.46Å; Y141-L156 VanDerWaalsContact CD2-CD2 3.46Å; Y141-L156 HydrophobicContact CE2-CD2 3.71Å; Y141-C160 WeakPolarHBondContact CB-SG 3.41Å
142	C	64.2	Low	61.5	Low	47 Å²	47	86 Å²	86	32%	0.318	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138	5.8	177.7	78	0	0	0	0	115.4	C139 R144 H155 C160	C139-C142 PolarHBondContact O-N 3.04Å; C142-R144 PolarHBondContact O-N 3.24Å; C142-H155 VanDerWaalsContact SG-CE1 3.5Å; C142-H155 PolarHBondContact SG-NE2 3.11Å; C142-C160 VanDerWaalsContact CB-SG 3.55Å
143	W	56.6	Low	62.1	Low	152 Å²	152	83.5 Å²	83.5	58%	0.576	39%	0.389	S	S	*	.			trans	63.1	11	171.8	-65.5	45.5	0	0	0	115.3	C139 W140	C139-W143 VanDerWaalsContact O-CA 3.25Å; C139-W143 WeakPolarHBondContact O-CA 3.44Å; C139-W143 PolarHBondContact O-N 2.86Å; W140-W143 VanDerWaalsContact O-CD1 3.32Å; W140-W143 PolarHBondContact O-NE1 3.37Å
144	R	59.3	Low	62.9	Low	162 Å²	162	83.2 Å²	83.2	61%	0.611	38%	0.382	S	S	*	.			trans	-68.7	134.3	170	-69	178.7	-177	-172.7	0.8	111.2	C139 C142 F146	C139-R144 PolarHBondContact N-O 3.25Å; C142-R144 PolarHBondContact O-N 3.24Å; R144-F146 HydrophobicContact CB-CD2 4.48Å; R144-F146 HydrophobicContact CB-CE2 3.61Å; R144-F146 HydrophobicContact CB-CZ 3.93Å; R144-F146 VanDerWaalsContact O-CD2 3.29Å; R144-F146 WeakPolarHBondContact O-CD2 3.38Å; R144-F146 VanDerWaalsContact O-CE2 3.3Å; R144-F146 WeakPolarHBondContact O-CE2 3.3Å
145	T	64.1	Low	63.8	Low	75 Å²	75	81.8 Å²	81.8	46%	0.46	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	133.3	170.7	47.5	0	0	0	0	111.4	I138	I138-T145 HydrophobicContact CG1-CG2 4.06Å
146	F	69.7	Low	64.3	Low	35 Å²	35	79.1 Å²	79.1	15%	0.154	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.6	177	-67	-91.1	0	0	0	110.8	R136 Y137 C139 R144 Y148 L152 H155	R136-F146 CarbonylContact C-O 3.59Å; R136-F146 WeakPolarHBondContact CA-O 3.39Å; Y137-F146 PolarHBondContact N-O 3.1Å; Y137-F146 WeakPolarHBondContact O-CB 3Å; Y137-F146 PolarHBondContact O-N 3.22Å; C139-F146 HydrophobicContact CB-CD2 4.21Å; C139-F146 HydrophobicContact CB-CE2 3.66Å; R144-F146 HydrophobicContact CB-CD2 4.48Å; R144-F146 HydrophobicContact CB-CE2 3.61Å; R144-F146 HydrophobicContact CB-CZ 3.93Å; R144-F146 VanDerWaalsContact O-CD2 3.29Å; R144-F146 WeakPolarHBondContact O-CD2 3.38Å; R144-F146 VanDerWaalsContact O-CE2 3.3Å; R144-F146 WeakPolarHBondContact O-CE2 3.3Å; F146-Y148 PolarHBondContact O-N 3.05Å; F146-Y148 VanDerWaalsContact O-N 3.17Å; F146-L152 HydrophobicContact CB-CB 4.08Å; F146-L152 HydrophobicContact CD2-CB 4.19Å; F146-L152 HydrophobicContact CD2-CD1 4.09Å; F146-L152 HydrophobicContact CE2-CD1 4.4Å; F146-L152 HydrophobicContact CG-CB 4.13Å; F146-H155 HydrophobicContact CE1-CB 3.7Å; F146-H155 AromaticContact CE1-CG 3.89Å; F146-H155 HydrophobicContact CE2-CB 4.34Å; F146-H155 AromaticContact CE2-CD2 3.48Å; F146-H155 VanDerWaalsContact CE2-CD2 3.48Å; F146-H155 WeakPolarHBondContact CE2-CD2 3.44Å; F146-H155 AromaticContact CE2-CG 3.93Å; F146-H155 HydrophobicContact CZ-CB 3.58Å; F146-H155 AromaticContact CZ-CD2 3.3Å; F146-H155 WeakPolarHBondContact CZ-CD2 3.42Å; F146-H155 AromaticContact CZ-CG 3.25Å; F146-H155 AromaticContact CZ-ND1 3.83Å; F146-H155 AromaticContact CZ-NE2 3.89Å
147	R	60.8	Low	63.7	Low	136 Å²	136	85.2 Å²	85.2	51%	0.513	39%	0.387	S	S	.	.	S	Bend	trans	-67.5	-13.4	-179.6	-156.5	178.9	-171.3	-155.6	1.2	114	E134	E134-R147 IonicContact OE1-CZ 3.2Å; E134-R147 IonicContact OE1-NE 3.95Å; E134-R147 PolarHBondContact OE1-NE 3.44Å; E134-R147 IonicContact OE1-NH2 2.92Å; E134-R147 PolarHBondContact OE1-NH2 3.34Å
148	Y	66.3	Low	63.2	Low	137 Å²	137	90.3 Å²	90.3	54%	0.537	41%	0.41	S	S	.	.	S	Bend	trans	-143.8	148.5	-176.2	-55.5	-62.9	0	0	0	111.7	F146 N150 S151 L152	F146-Y148 PolarHBondContact O-N 3.05Å; F146-Y148 VanDerWaalsContact O-N 3.17Å; Y148-N150 PolarHBondContact O-N 3.24Å; Y148-S151 PolarHBondContact O-N 3.1Å; Y148-S151 PolarHBondContact O-OG 3.15Å; Y148-S151 VanDerWaalsContact O-OG 3.07Å; Y148-L152 PolarHBondContact O-N 3.03Å
149	P	59.8	Low	62.6	Low	62 Å²	62	93.7 Å²	93.7	40%	0.403	43%	0.425	S	S	.	.	H	α-helix	trans	-65.5	-28.9	177.7	26.6	-34.3	0	0	0	112.3	Y137 K153	Y137-P149 HydrophobicContact CD1-CB 4Å; Y137-P149 HydrophobicContact CE1-CB 3.89Å; Y137-P149 HydrophobicContact CE1-CG 4.32Å; Y137-P149 HydrophobicContact CG-CB 4.45Å; P149-K153 VanDerWaalsContact O-CB 3.31Å; P149-K153 WeakPolarHBondContact O-CB 3.1Å; P149-K153 PolarHBondContact O-N 2.98Å
150	N	61.5	Low	62	Low	125 Å²	125	94.1 Å²	94.1	67%	0.668	43%	0.428	S	S	*	.	H	α-helix	trans	-68.8	-38.2	179.1	-69.7	-16.5	0	0	0	112.6	Y148 K153 A154	Y148-N150 PolarHBondContact O-N 3.24Å; N150-K153 PolarHBondContact O-N 2.89Å; N150-A154 WeakPolarHBondContact O-CB 3.35Å; N150-A154 PolarHBondContact O-N 2.78Å
151	S	71.6	Confident	61.7	Low	45 Å²	45	93.8 Å²	93.8	32%	0.315	44%	0.438	S	S	.	.	H	α-helix	trans	-75	-33.8	177	52.3	0	0	0	0	112	Y148 H155	Y148-S151 PolarHBondContact O-N 3.1Å; Y148-S151 PolarHBondContact O-OG 3.15Å; Y148-S151 VanDerWaalsContact O-OG 3.07Å; S151-H155 VanDerWaalsContact O-CB 3.23Å; S151-H155 WeakPolarHBondContact O-CB 3.25Å; S151-H155 PolarHBondContact O-N 2.83Å
152	L	71.5	Confident	61.1	Low	21 Å²	21	95.9 Å²	95.9	11%	0.11	45%	0.45	C	S	.	.	H	α-helix	trans	-57.2	-49.8	164.5	170	59.8	0	0	0	111.1	C139 F146 Y148 A154 H155 L156	C139-L152 VanDerWaalsContact CA-CD1 3.46Å; C139-L152 HydrophobicContact CB-CD1 3.49Å; C139-L152 VanDerWaalsContact CB-CD1 3.49Å; F146-L152 HydrophobicContact CB-CB 4.08Å; F146-L152 HydrophobicContact CD2-CB 4.19Å; F146-L152 HydrophobicContact CD2-CD1 4.09Å; F146-L152 HydrophobicContact CE2-CD1 4.4Å; F146-L152 HydrophobicContact CG-CB 4.13Å; Y148-L152 PolarHBondContact O-N 3.03Å; L152-A154 PolarHBondContact O-N 3.15Å; L152-H155 PolarHBondContact O-N 3.24Å; L152-L156 HydrophobicContact CD1-CD1 3.87Å; L152-L156 HydrophobicContact CD1-CD2 4.42Å; L152-L156 HydrophobicContact CD1-CG 3.86Å; L152-L156 HydrophobicContact CG-CD1 3.94Å; L152-L156 HydrophobicContact CG-CG 4.38Å; L152-L156 WeakPolarHBondContact O-CB 3.4Å; L152-L156 WeakPolarHBondContact O-CG 3.18Å; L152-L156 PolarHBondContact O-N 2.77Å
153	K	59.8	Low	60.3	Low	135 Å²	135	98.2 Å²	98.2	59%	0.587	47%	0.467	S	S	*	.	H	α-helix	trans	-63.5	-39.2	-177.1	-160.8	171.4	-171.2	175.3	0	112.6	P149 N150 R157	P149-K153 VanDerWaalsContact O-CB 3.31Å; P149-K153 WeakPolarHBondContact O-CB 3.1Å; P149-K153 PolarHBondContact O-N 2.98Å; N150-K153 PolarHBondContact O-N 2.89Å; K153-R157 WeakPolarHBondContact O-CB 3.3Å; K153-R157 VanDerWaalsContact O-CG 3.23Å; K153-R157 WeakPolarHBondContact O-CG 3.39Å; K153-R157 PolarHBondContact O-N 3.35Å
154	A	65.4	Low	59.5	Low	45 Å²	45	94.8 Å²	94.8	37%	0.372	48%	0.478	S	S	.	.	H	α-helix	trans	-64.9	-47.2	172	0	0	0	0	0	111.7	N150 L152 L156 R157 F158	N150-A154 WeakPolarHBondContact O-CB 3.35Å; N150-A154 PolarHBondContact O-N 2.78Å; L152-A154 PolarHBondContact O-N 3.15Å; A154-L156 PolarHBondContact O-N 3.23Å; A154-R157 PolarHBondContact O-N 2.9Å; A154-R157 VanDerWaalsContact O-N 3.08Å; A154-F158 HydrophobicContact CB-CD2 4.43Å; A154-F158 VanDerWaalsContact O-CD2 3.28Å; A154-F158 WeakPolarHBondContact O-CD2 3.41Å; A154-F158 PolarHBondContact O-N 3.04Å
155	H	74.2	Confident	58.2	Low	19 Å²	19	90.2 Å²	90.2	9%	0.088	48%	0.481	C	S	.	.	H	α-helix	trans	-61.1	-41	178.7	165.9	68.4	0	0	0	113.1	C139 C142 F146 S151 L152 R157 H159 C160	C139-H155 PolarHBondContact SG-CD2 2.73Å; C139-H155 PolarHBondContact SG-NE2 3.21Å; C142-H155 VanDerWaalsContact SG-CE1 3.5Å; C142-H155 PolarHBondContact SG-NE2 3.11Å; F146-H155 HydrophobicContact CE1-CB 3.7Å; F146-H155 AromaticContact CE1-CG 3.89Å; F146-H155 HydrophobicContact CE2-CB 4.34Å; F146-H155 AromaticContact CE2-CD2 3.48Å; F146-H155 VanDerWaalsContact CE2-CD2 3.48Å; F146-H155 WeakPolarHBondContact CE2-CD2 3.44Å; F146-H155 AromaticContact CE2-CG 3.93Å; F146-H155 HydrophobicContact CZ-CB 3.58Å; F146-H155 AromaticContact CZ-CD2 3.3Å; F146-H155 WeakPolarHBondContact CZ-CD2 3.42Å; F146-H155 AromaticContact CZ-CG 3.25Å; F146-H155 AromaticContact CZ-ND1 3.83Å; F146-H155 AromaticContact CZ-NE2 3.89Å; S151-H155 VanDerWaalsContact O-CB 3.23Å; S151-H155 WeakPolarHBondContact O-CB 3.25Å; S151-H155 PolarHBondContact O-N 2.83Å; L152-H155 PolarHBondContact O-N 3.24Å; H155-R157 VanDerWaalsContact C-N 3.32Å; H155-R157 PolarHBondContact O-N 2.99Å; H155-H159 PolarHBondContact O-N 3.37Å; H155-C160 PolarHBondContact NE2-SG 2.98Å; H155-C160 PolarHBondContact O-N 3.35Å
156	L	67.3	Low	56.9	Low	55 Å²	55	90.8 Å²	90.8	29%	0.288	50%	0.503	S	S	.	.	I	π-helix	trans	-59.1	-42.1	171.7	-73.5	170.7	0	0	0	111.8	C139 Y141 L152 A154	C139-L156 VanDerWaalsContact SG-CD2 3.56Å; Y141-L156 HydrophobicContact CD2-CD2 3.46Å; Y141-L156 VanDerWaalsContact CD2-CD2 3.46Å; Y141-L156 HydrophobicContact CE2-CD2 3.71Å; L152-L156 HydrophobicContact CD1-CD1 3.87Å; L152-L156 HydrophobicContact CD1-CD2 4.42Å; L152-L156 HydrophobicContact CD1-CG 3.86Å; L152-L156 HydrophobicContact CG-CD1 3.94Å; L152-L156 HydrophobicContact CG-CG 4.38Å; L152-L156 WeakPolarHBondContact O-CB 3.4Å; L152-L156 WeakPolarHBondContact O-CG 3.18Å; L152-L156 PolarHBondContact O-N 2.77Å; A154-L156 PolarHBondContact O-N 3.23Å
157	R	54.5	Low	55.1	Low	198 Å²	198	93 Å²	93	75%	0.747	54%	0.536	S	S	*	.	I	π-helix	trans	-74.9	-36.3	-176.7	-74.6	-75.8	175.4	148.1	-3.9	114.2	K153 A154 H155	K153-R157 WeakPolarHBondContact O-CB 3.3Å; K153-R157 VanDerWaalsContact O-CG 3.23Å; K153-R157 WeakPolarHBondContact O-CG 3.39Å; K153-R157 PolarHBondContact O-N 3.35Å; A154-R157 PolarHBondContact O-N 2.9Å; A154-R157 VanDerWaalsContact O-N 3.08Å; H155-R157 VanDerWaalsContact C-N 3.32Å; H155-R157 PolarHBondContact O-N 2.99Å
158	F	54.2	Low	53.8	Low	152 Å²	152	90.1 Å²	90.1	67%	0.667	55%	0.548	S	S	*	.	I	π-helix	trans	-106.9	-24.9	-170.5	-66.8	-66.9	0	0	0	115.5	A154	A154-F158 HydrophobicContact CB-CD2 4.43Å; A154-F158 VanDerWaalsContact O-CD2 3.28Å; A154-F158 WeakPolarHBondContact O-CD2 3.41Å; A154-F158 PolarHBondContact O-N 3.04Å
159	H	53.7	Low	52.2	Low	123 Å²	123	87.8 Å²	87.8	57%	0.569	56%	0.557	S	S	*	*	I	π-helix	trans	-132.9	-29.7	-169.5	-66.7	-64.3	0	0	0	115.9	H155 S163	H155-H159 PolarHBondContact O-N 3.37Å; H159-S163 PolarHBondContact O-OG 3.36Å
160	C	56.4	Low	50.7	Low	10 Å²	10	93.8 Å²	93.8	7%	0.068	58%	0.577	C	S	.	*	I	π-helix	trans	-80.5	-33.5	-168.4	-134.4	0	0	0	0	114.8	C139 Y141 C142 H155 F162	C139-C160 PolarHBondContact SG-SG 3.42Å; Y141-C160 WeakPolarHBondContact CB-SG 3.41Å; C142-C160 VanDerWaalsContact CB-SG 3.55Å; H155-C160 PolarHBondContact NE2-SG 2.98Å; H155-C160 PolarHBondContact O-N 3.35Å; C160-F162 PolarHBondContact O-N 2.64Å
161	V	47.9	Very low	49.2	Very low	102 Å²	102	95.1 Å²	95.1	62%	0.618	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-67.3	-36.1	179.3	179.7	0	0	0	0	111.9
162	F	43.5	Very low	47.1	Very low	178 Å²	178	99.5 Å²	99.5	78%	0.781	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-87	-5.5	-175	-73	-77.1	0	0	0	115.3	C160 G164	C160-F162 PolarHBondContact O-N 2.64Å; F162-G164 VanDerWaalsContact C-N 3.32Å
163	S	47.8	Very low	45.1	Very low	96 Å²	96	106.8 Å²	106.8	67%	0.671	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-88.9	4	178.1	-59.3	0	0	0	0	113.6	H159 G165	H159-S163 PolarHBondContact O-OG 3.36Å; S163-G165 VanDerWaalsContact C-N 3.31Å; S163-G165 PolarHBondContact O-N 3.12Å
164	G	40.5	Very low	43.5	Very low	79 Å²	79	107.7 Å²	107.7	81%	0.814	64%	0.638	S	S	*	*	S	Bend	trans	-82.3	15.4	-173.5	0	0	0	0	0	116.5	F162	F162-G164 VanDerWaalsContact C-N 3.32Å
165	G	31.6	Very low	41.8	Very low	66 Å²	66	114.4 Å²	114.4	68%	0.68	66%	0.661	S	S	*	*	S	Bend	trans	-164.9	138.4	178.1	0	0	0	0	0	110.6	S163	S163-G165 VanDerWaalsContact C-N 3.31Å; S163-G165 PolarHBondContact O-N 3.12Å
166	G	37.3	Very low	39.6	Very low	88 Å²	88	117.7 Å²	117.7	91%	0.907	69%	0.691	S	S	*	*			trans	-111.1	133.2	-173.5	0	0	0	0	0	113.3
167	G	32.3	Very low	37.7	Very low	82 Å²	82	120.2 Å²	120.2	85%	0.845	72%	0.721	S	S	*	*			trans	175.9	75	177.1	0	0	0	0	0	116.9
168	G	32.8	Very low	36.6	Very low	75 Å²	75	121 Å²	121	77%	0.773	72%	0.723	S	S	*	*			trans	52.7	90.6	143.7	0	0	0	0	0	122.9
169	A	32.2	Very low	35.5	Very low	87 Å²	87	122.1 Å²	122.1	72%	0.719	73%	0.731	S	S	*	*				54.3	154.3	125.7	0	0	0	0	0	124.1
170	F	28.7	Very low	34.2	Very low	189 Å²	189	119.9 Å²	119.9	83%	0.829	74%	0.741	S	S	*	*			trans	67.6	139.8	175.2	-65	-85.2	0	0	0	115.4
171	L	30.4	Very low	32.9	Very low	152 Å²	152	124.5 Å²	124.5	80%	0.796	78%	0.78	S	S	*	*			cis	-126.9	158.5	0.5	-84.7	170.4	0	0	0	108.8
172	H	28.1	Very low	32	Very low	138 Å²	138	126.2 Å²	126.2	64%	0.639	79%	0.79	S	S	*	*			cis	-157.2	-173	-16	-167.2	-126.4	0	0	0	108	E174	H172-E174 IonicContact CE1-OE2 2.66Å; H172-E174 IonicContact ND1-OE2 2.89Å
173	H	28.9	Very low	32.1	Very low	173 Å²	173	123.3 Å²	123.3	80%	0.801	79%	0.789	S	S	*	*			trans	-138	117.3	163.8	172.1	60.5	0	0	0	109.6
174	E	26.4	Very low	31.2	Very low	154 Å²	154	123.1 Å²	123.1	72%	0.72	79%	0.793	S	S	*	*			trans	-156.3	130.8	172	-153.2	179.4	138.3	0	0	112.2	H172	H172-E174 IonicContact CE1-OE2 2.66Å; H172-E174 IonicContact ND1-OE2 2.89Å
175	H	28.7	Very low	30.6	Very low	186 Å²	186	123.2 Å²	123.2	86%	0.861	79%	0.787	S	S	*	*			trans	-162.3	142.8	148.9	-121.1	-76.7	0	0	0	110.8
176	A	28.6	Very low	30.4	Very low	88 Å²	88	128.1 Å²	128.1	73%	0.727	80%	0.797	S	S	*	*			trans	70.7	74.1	164.5	0	0	0	0	0	118.9
177	A	28.2	Very low	30.1	Very low	109 Å²	109	127.8 Å²	127.8	90%	0.901	79%	0.793	S	S	*	*				-86.3	161.8	127.1	0	0	0	0	0	109.6
178	R	30.3	Very low	30	Very low	213 Å²	213	132.7 Å²	132.7	80%	0.804	80%	0.799	S	S	*	*			trans	-122.2	141.8	-167.8	-100.7	-83.9	-168.1	-173	6.8	113.1
179	Q	31.2	Very low	29.7	Very low	177 Å²	177	132.3 Å²	132.3	83%	0.827	80%	0.795	S	S	*	*			trans	70.1	132.6	155.8	-65.4	164.1	0.8	0	0	118.7
180	G	27.5	Very low	29.5	Very low	75 Å²	75	136.7 Å²	136.7	77%	0.773	81%	0.806	S	S	*	*			trans	168.9	90.6	169.5	0	0	0	0	0	115
181	A	27.3	Very low	29.6	Very low	107 Å²	107	133.1 Å²	133.1	88%	0.884	80%	0.804	S	S	*	*			trans	67.5	157.6	164.4	0	0	0	0	0	120.8
182	V	30	Very low	30.2	Very low	138 Å²	138	132.3 Å²	132.3	84%	0.836	81%	0.808	S	S	*	*			trans	-158.4	153.6	-170.1	146.1	0	0	0	0	104
183	P	45.7	Very low	30.2	Very low	118 Å²	118	134.8 Å²	134.8	77%	0.766	82%	0.817	S	S	*	*			cis	-136.5	-177.6	25.3	35.6	-14.2	0	0	0	116.3
184	A	27.8	Very low	30.5	Very low	91 Å²	91	132.4 Å²	132.4	75%	0.752	82%	0.817	S	S	*	*				152.9	133.9	110.9	0	0	0	0	0	116.1
185	A	29	Very low	30.6	Very low	82 Å²	82	130.7 Å²	130.7	68%	0.678	82%	0.822	S	S	*	*			trans	57.4	119.2	142	0	0	0	0	0	123.3
186	D	28.2	Very low	30.7	Very low	169 Å²	169	126.2 Å²	126.2	90%	0.904	82%	0.817	S	S	*	*				62.1	146.5	127.5	-51.5	-28	0	0	0	123.3
187	G	29.9	Very low	31.1	Very low	80 Å²	80	126.5 Å²	126.5	83%	0.825	81%	0.814	S	S	*	*			trans	152.3	90.5	169.4	0	0	0	0	0	114.7
188	L	29.7	Very low	31.2	Very low	185 Å²	185	127.1 Å²	127.1	97%	0.969	80%	0.802	S	S	*	*			trans	-94.9	147.3	172.9	-65.2	169.3	0	0	0	111.3
189	G	26.6	Very low	31.3	Very low	67 Å²	67	126.1 Å²	126.1	69%	0.691	80%	0.804	S	S	*	*			trans	136.6	123.7	141.6	0	0	0	0	0	120.2
190	L	27.7	Very low	31.1	Very low	180 Å²	180	122.4 Å²	122.4	94%	0.942	80%	0.803	S	S	*	*			trans	73.9	144.1	136.5	-54.7	176.7	0	0	0	121.3
191	S	32.3	Very low	31.1	Very low	113 Å²	113	123.3 Å²	123.3	79%	0.79	80%	0.804	S	S	*	*			trans	-98.4	173.9	167.1	-44	0	0	0	0	110.9
192	P	42.6	Very low	32.2	Very low	135 Å²	135	123.8 Å²	123.8	88%	0.877	80%	0.798	S	S	*	*				-135.5	-179.8	121.2	37.8	-27.9	0	0	0	115
193	K	27.6	Very low	32.3	Very low	191 Å²	191	122.2 Å²	122.2	83%	0.83	79%	0.793	S	S	*	*			trans	-101	173.2	-170.9	-138.6	-175.1	-174.8	177.1	0	111.6
194	P	34.9	Very low	31.9	Very low	122 Å²	122	125.4 Å²	125.4	79%	0.792	80%	0.798	S	S	*	*			trans	-122.2	176.9	135.2	36.5	-31.1	0	0	0	113.2
195	S	28.6	Very low	31.8	Very low	118 Å²	118	125.9 Å²	125.9	83%	0.825	80%	0.801	S	S	*	*			trans	-135.9	174.3	-168.8	56	0	0	0	0	113.7
196	A	31.6	Very low	31.9	Very low	93 Å²	93	124.9 Å²	124.9	77%	0.769	80%	0.799	S	S	*	*			trans	-93	-166.5	178.1	0	0	0	0	0	110.8
197	S	35.9	Very low	31.8	Very low	94 Å²	94	123.7 Å²	123.7	66%	0.657	80%	0.798	S	S	*	*			cis	-162.1	-163.7	16.9	58.4	0	0	0	0	114.1
198	D	31.8	Very low	31.6	Very low	121 Å²	121	127.5 Å²	127.5	65%	0.647	80%	0.798	S	S	*	*			trans	82.7	147.6	159.4	-64.8	13.7	0	0	0	117.3
199	F	31.2	Very low	31.5	Very low	192 Å²	192	128.3 Å²	128.3	84%	0.842	79%	0.789	S	S	*	*			cis	-159	-167.3	-3.2	-128.2	-33.9	0	0	0	113.5
200	A	26.3	Very low	32.5	Very low	99 Å²	99	130.6 Å²	130.6	82%	0.818	79%	0.791	S	S	*	*			trans	91.4	131.6	156.1	0	0	0	0	0	121.7
201	A	28.6	Very low	32.7	Very low	95 Å²	95	129.6 Å²	129.6	79%	0.785	78%	0.782	S	S	*	*			trans	-150.6	169.5	168.4	0	0	0	0	0	108.2
202	P	50.2	Low	33.7	Very low	116 Å²	116	128.7 Å²	128.7	75%	0.753	77%	0.773	S	S	*	*				-158.7	162.4	107.2	40.8	-22.5	0	0	0	118.4
203	S	32.1	Very low	33.1	Very low	105 Å²	105	131.4 Å²	131.4	73%	0.734	77%	0.774	S	S	*	*			trans	49.8	146.3	140.3	64.6	0	0	0	0	123.5
204	Q	37.1	Very low	33.1	Very low	186 Å²	186	125.4 Å²	125.4	87%	0.869	77%	0.767	S	S	*	*			cis	-169.2	176.1	-11.6	-117.1	-158.1	35.9	0	0	112.2
205	A	26.7	Very low	33.7	Very low	100 Å²	100	125.7 Å²	125.7	83%	0.826	77%	0.768	S	S	*	*			trans	72.7	147	164.9	0	0	0	0	0	119.3
206	G	29.6	Very low	35.2	Very low	61 Å²	61	125.4 Å²	125.4	63%	0.629	76%	0.764	S	S	*	*			cis	172.8	159.2	-9.5	0	0	0	0	0	114.4
207	T	27.4	Very low	36.4	Very low	144 Å²	144	127 Å²	127	88%	0.883	77%	0.767	S	S	*	*			trans	63.8	153.8	174.5	53.2	0	0	0	0	117.7
208	L	25.6	Very low	36.1	Very low	160 Å²	160	127.3 Å²	127.3	84%	0.838	78%	0.775	S	S	*	*			cis	-154	-176.1	1.4	-125.4	169.3	0	0	0	110.9
209	R	27.5	Very low	36.3	Very low	203 Å²	203	129.9 Å²	129.9	77%	0.766	78%	0.783	S	S	*	*			trans	-154.7	160.2	179.1	-147.8	-165.4	-177.5	-161.2	0.4	112.6
210	P	48	Very low	36.1	Very low	115 Å²	115	125.3 Å²	125.3	75%	0.747	78%	0.78	S	S	*	*				-147.9	-121.2	117.6	39.3	-20.3	0	0	0	116.2
211	H	31.2	Very low	36.2	Very low	159 Å²	159	125.5 Å²	125.5	74%	0.736	78%	0.775	S	S	*	*			trans	-172.8	-161.1	-160.4	-143.2	5.8	0	0	0	107.2
212	P	54.1	Low	36.2	Very low	94 Å²	94	124.7 Å²	124.7	61%	0.61	78%	0.775	S	S	*	*			cis	-140.7	-169.5	-14.9	29.4	-3.2	0	0	0	116.4
213	Q	28.7	Very low	35	Very low	191 Å²	191	124 Å²	124	89%	0.893	78%	0.78	S	S	*	*			trans	97.1	156.8	154.5	-57.1	-169.7	2	0	0	122.3
214	G	27.2	Very low	34.8	Very low	66 Å²	66	129.3 Å²	129.3	68%	0.68	78%	0.784	S	S	*	*			trans	-160.5	-150.7	-179.6	0	0	0	0	0	108.4
215	P	47.5	Very low	34.4	Very low	127 Å²	127	128.2 Å²	128.2	83%	0.825	78%	0.778	S	S	*	*			cis	-134	-177	-2.2	41.8	-23.9	0	0	0	115
216	P	62.1	Low	34.5	Very low	113 Å²	113	127.2 Å²	127.2	73%	0.734	78%	0.778	S	S	*	*			trans	-111.4	163.8	176.3	40.3	-32.5	0	0	0	115.6
217	P	55.3	Low	34.6	Very low	127 Å²	127	132.6 Å²	132.6	83%	0.825	79%	0.791	S	S	*	*			trans	-84.7	-176.6	162.8	40	-37.6	0	0	0	111
218	A	30.6	Very low	34.5	Very low	100 Å²	100	133.3 Å²	133.3	83%	0.826	78%	0.782	S	S	*	*			cis	-146	-172.1	9.4	0	0	0	0	0	111.1
219	Q	36	Very low	34.6	Very low	174 Å²	174	134.9 Å²	134.9	81%	0.813	78%	0.776	S	S	*	*			trans	-150.8	134.5	-174.3	-175.2	-172.6	-109.3	0	0	115.5
220	A	27.1	Very low	34.5	Very low	96 Å²	96	133.3 Å²	133.3	79%	0.793	78%	0.778	S	S	*	*			trans	-147.4	105.4	150.6	0	0	0	0	0	107.8
221	C	28.8	Very low	33.4	Very low	104 Å²	104	132 Å²	132	70%	0.703	78%	0.777	S	S	*	*				64.1	119.1	70.3	-60.1	0	0	0	0	112.7
222	G	27.4	Very low	33.4	Very low	77 Å²	77	130.2 Å²	130.2	79%	0.794	78%	0.782	S	S	*	*			cis	-171.1	-170	-2.5	0	0	0	0	0	109.6
223	A	25.7	Very low	32	Very low	103 Å²	103	131.9 Å²	131.9	85%	0.851	80%	0.796	S	S	*	*			cis	-162.2	159.2	-0.5	0	0	0	0	0	112.7
224	R	27.9	Very low	32.1	Very low	216 Å²	216	127.2 Å²	127.2	82%	0.815	79%	0.79	S	S	*	*			trans	65.9	109.7	148.5	-116.8	-171.4	171.1	171.1	1	125.1
225	E	29.1	Very low	32.7	Very low	162 Å²	162	129.4 Å²	129.4	76%	0.757	79%	0.792	S	S	*	*				22.6	137.5	125	-45.6	170.7	107.1	0	0	122.2
226	G	27.9	Very low	31.8	Very low	80 Å²	80	129.1 Å²	129.1	83%	0.825	79%	0.793	S	S	*	*			trans	-175.6	123.7	159.4	0	0	0	0	0	114
227	I	31.6	Very low	30.2	Very low	174 Å²	174	127.9 Å²	127.9	89%	0.892	79%	0.792	S	S	*	*			trans	-109.6	155.9	179.7	-57.4	167.1	0	0	0	109.3
228	K	25.7	Very low	28.9	Very low	159 Å²	159	128.6 Å²	128.6	69%	0.691	79%	0.794	S	S	*	*			trans	123.2	123.8	138.7	-165.9	-179.3	177.3	-172.9	0	118.3
229	R	27.5	Very low	28.7	Very low	192 Å²	192	128.7 Å²	128.7	73%	0.725	79%	0.789	S	S	*	*			trans	49.3	136.4	147.8	-63.2	-178.9	-156.9	167.8	0.4	123.5
230	E	24.9	Very low	29.1	Very low	171 Å²	171	126.5 Å²	126.5	80%	0.799	79%	0.79	S	S	*	*				33.5	140.9	124.8	-52.7	168.9	100	0	0	123.2
231	A	24.8	Very low	29.5	Very low	88 Å²	88	128.2 Å²	128.2	73%	0.727	79%	0.791	S	S	*	*			trans	71.7	95	143.5	0	0	0	0	0	120.9
232	S	30.7	Very low	30.7	Very low	120 Å²	120	129.1 Å²	129.1	84%	0.839	80%	0.795	S	S	*	*				37.5	111.8	120.5	-50.7	0	0	0	0	121
233	S	26.3	Very low	30.9	Very low	130 Å²	130	128.8 Å²	128.8	91%	0.909	79%	0.792	S	S	*	*				-172.5	152.5	128.8	30.5	0	0	0	0	112.7
234	A	31.2	Very low	31.1	Very low	92 Å²	92	133.5 Å²	133.5	76%	0.76	79%	0.793	S	S	*	*			trans	-105.9	171.8	163.8	0	0	0	0	0	109.1
235	P	39.7	Very low	31.2	Very low	113 Å²	113	135.5 Å²	135.5	73%	0.734	80%	0.801	S	S	*	*				-158.6	174.3	94.3	41.6	-23.3	0	0	0	117.5
236	S	27.2	Very low	31.2	Very low	121 Å²	121	130.8 Å²	130.8	85%	0.846	80%	0.796	S	S	*	*			trans	64.9	150.3	153.8	-60.7	0	0	0	0	118.8
237	A	29	Very low	31.5	Very low	86 Å²	86	135.3 Å²	135.3	71%	0.711	80%	0.796	S	S	*	*			cis	-160.6	-166.1	-16.3	0	0	0	0	0	106.2
238	T	27.2	Very low	31.3	Very low	142 Å²	142	133.4 Å²	133.4	87%	0.871	79%	0.786	S	S	*	*			cis	-160.5	167.7	11.4	-35.1	0	0	0	0	108.4
239	S	28.1	Very low	31.6	Very low	102 Å²	102	134.9 Å²	134.9	71%	0.713	79%	0.793	S	S	*	*			trans	-151.3	157.2	174.7	61.7	0	0	0	0	114.3
240	P	43.3	Very low	31.6	Very low	128 Å²	128	135.9 Å²	135.9	83%	0.831	80%	0.802	S	S	*	*			trans	-99.6	176.8	167	36.8	-30.8	0	0	0	114.2
241	T	35.9	Very low	31.7	Very low	133 Å²	133	131.3 Å²	131.3	82%	0.816	80%	0.802	S	S	*	*			trans	-125.2	-167.3	-163	53.5	0	0	0	0	110.9
242	P	53.3	Low	31.8	Very low	122 Å²	122	135.2 Å²	135.2	79%	0.792	80%	0.802	S	S	*	*			cis	-128.9	174.1	1.6	42.1	-25	0	0	0	116
243	G	32.7	Very low	31.6	Very low	70 Å²	70	135.6 Å²	135.6	72%	0.722	79%	0.791	S	S	*	*			cis	-167.4	-151	5.4	0	0	0	0	0	110.3
244	K	29.5	Very low	31.7	Very low	203 Å²	203	137 Å²	137	88%	0.883	78%	0.783	S	S	*	*			cis	-145.7	-70.5	3.9	-66.9	-178.9	179.6	177.7	0	114.4
245	W	29.7	Very low	31.5	Very low	258 Å²	258	139.1 Å²	139.1	98%	0.977	78%	0.781	S	S	*	*			trans	-149.8	152.8	-167.2	-95	-32.9	0	0	0	113.5
246	G	29.7	Very low	30.9	Very low	63 Å²	63	140.6 Å²	140.6	65%	0.649	78%	0.782	S	S	*	*			cis	167	155.4	-10.6	0	0	0	0	0	116.8
247	Q	32.6	Very low	30.9	Very low	175 Å²	175	145.1 Å²	145.1	82%	0.818	78%	0.781	S	S	*	*			trans	69.6	142.3	166.5	-57.8	-154.5	-11.7	0	0	118.8
248	L	28.4	Very low	31	Very low	134 Å²	134	145.3 Å²	145.3	70%	0.702	78%	0.782	S	S	*	*			cis	-147.1	-147.4	-2	-139.5	46.4	0	0	0	108.4
249	K	31.3	Very low	31.1	Very low	190 Å²	190	146.7 Å²	146.7	83%	0.826	78%	0.783	S	S	*	*			cis	-148.1	-103.4	6.3	-147.1	159.5	-174.2	173.5	0	114.5
250	K	27.5	Very low	31	Very low	212 Å²	212	148.1 Å²	148.1	92%	0.922	78%	0.783	S	S	*	*			trans	-159.8	165	-176.1	-76.4	-177	174	177.4	0	108.2
251	G	27.6	Very low	30.2	Very low	76 Å²	76	149.1 Å²	149.1	78%	0.784	78%	0.778	S	S	*	*			cis	166.8	-176.4	5	0	0	0	0	0	108
252	K	27.2	Very low	29.9	Very low	169 Å²	169	147.9 Å²	147.9	74%	0.735	78%	0.775	S	S	*	*			cis	-168.9	142.6	-6.3	-168.1	-154.1	-177.3	-147.4	0	109.5
253	E	25.6	Very low	28.6	Very low	129 Å²	129	146 Å²	146	60%	0.603	78%	0.779	S	S	*	*			trans	68.2	136.9	154.7	-88.6	168.2	-174.5	0	0	125.4
254	Q	28.9	Very low	28.3	Very low	160 Å²	160	147.5 Å²	147.5	75%	0.748	78%	0.784	S	S	*	*			trans	64.3	158	140.8	-70.2	-164.3	30	0	0	122
255	L	27	Very low	28.7	Very low	136 Å²	136	142.5 Å²	142.5	71%	0.712	78%	0.78	S	S	*	*			cis	-170.4	133.9	-25.7	173.1	134.3	0	0	0	111.2
256	D	26.7	Very low	28.6	Very low	144 Å²	144	142.4 Å²	142.4	77%	0.77	78%	0.78	S	S	*	*			trans	59.1	170.3	159.1	-131.6	-55.5	0	0	0	121.5
257	R	27.4	Very low	28.4	Very low	216 Å²	216	142.6 Å²	142.6	82%	0.815	78%	0.782	S	S	*	*			trans	76.2	114.2	153.9	-144.2	171.7	-166.3	84.2	-1.8	119.3
258	A	30.9	Very low	28.5	Very low	90 Å²	90	142.4 Å²	142.4	74%	0.744	78%	0.781	S	S	*	*			trans	-76	150.6	164.8	0	0	0	0	0	112.2
259	L	28.6	Very low	28.5	Very low	170 Å²	170	138.9 Å²	138.9	89%	0.89	78%	0.777	S	S	*	*			trans	-160.5	-176.6	148.6	-115	173.8	0	0	0	111.4
260	D	26.1	Very low	28.8	Very low	133 Å²	133	137 Å²	137	71%	0.711	77%	0.771	S	S	*	*			trans	-100	169.2	-151.6	-129.3	-40.4	0	0	0	116.4
261	M	27	Very low	28.7	Very low	148 Å²	148	135.3 Å²	135.3	73%	0.729	76%	0.764	S	S	*	*			trans	60.4	119.1	151.3	-71.5	-80.3	95.9	0	0	122.8
262	S	30.4	Very low	29.1	Very low	107 Å²	107	138.8 Å²	138.8	75%	0.748	76%	0.764	S	S	*	*				47.7	115.2	123.1	-53.2	0	0	0	0	121.6
263	G	25.1	Very low	29.2	Very low	84 Å²	84	133.6 Å²	133.6	87%	0.866	76%	0.758	S	S	*	*			trans	-172.2	132.2	162.8	0	0	0	0	0	114.1
264	A	27.9	Very low	29.5	Very low	101 Å²	101	135.3 Å²	135.3	84%	0.835	77%	0.769	S	S	*	*			trans	-93.8	144.4	-166.3	0	0	0	0	0	116.4
265	A	36	Very low	29.6	Very low	97 Å²	97	134.6 Å²	134.6	80%	0.802	78%	0.776	S	S	*	*			trans	45.4	140.1	137.4	0	0	0	0	0	123
266	R	29.1	Very low	29.5	Very low	256 Å²	256	131.6 Å²	131.6	97%	0.966	78%	0.778	S	S	*	*			trans	-159.3	161.3	149.2	-113.1	175.4	-156.3	-172.6	6.9	113.3
267	G	25.7	Very low	29.5	Very low	68 Å²	68	128.3 Å²	128.3	70%	0.701	78%	0.778	S	S	*	*			trans	119.7	75.1	-171.6	0	0	0	0	0	110.1
268	Q	33.9	Very low	29.6	Very low	171 Å²	171	123.7 Å²	123.7	80%	0.799	78%	0.779	S	S	*	*				76.7	123.8	55.5	-162	176.4	6.4	0	0	112.4
269	G	27.6	Very low	29.5	Very low	59 Å²	59	124.5 Å²	124.5	61%	0.608	78%	0.779	S	S	*	*			cis	-174.2	-168.8	-4.6	0	0	0	0	0	114.9
270	H	37.9	Very low	29.5	Very low	151 Å²	151	121 Å²	121	70%	0.699	78%	0.775	S	S	*	*			trans	65.3	144.6	151.6	-50.3	176.9	0	0	0	117
271	F	26.8	Very low	29.5	Very low	177 Å²	177	118 Å²	118	78%	0.776	78%	0.775	S	S	*	*			cis	-168.5	157.7	-1.5	-119.1	-161.8	0	0	0	105.5
272	L	35.6	Very low	29.7	Very low	149 Å²	149	118 Å²	118	78%	0.78	78%	0.783	S	S	*	*			cis	-144	-170.7	5	-94.4	174.8	0	0	0	106.7
273	G	28.8	Very low	29.4	Very low	60 Å²	60	116.1 Å²	116.1	62%	0.619	78%	0.78	S	S	*	*			cis	148.8	172.9	-3.8	0	0	0	0	0	112
274	I	32.7	Very low	29.5	Very low	164 Å²	164	117.4 Å²	117.4	84%	0.841	78%	0.776	S	S	*	*			trans	70.4	113.3	171.7	-56.1	-176.2	0	0	0	118.1
275	V	30.2	Very low	29.6	Very low	145 Å²	145	120.2 Å²	120.2	88%	0.879	78%	0.776	S	S	*	*			trans	51.9	134.4	157.1	-179.5	0	0	0	0	119.2
276	G	25.5	Very low	29.2	Very low	74 Å²	74	119.2 Å²	119.2	76%	0.763	77%	0.768	S	S	*	*			cis	147.8	152.4	-4.3	0	0	0	0	0	112.5
277	G	26.6	Very low	29.1	Very low	74 Å²	74	117.4 Å²	117.4	76%	0.763	77%	0.767	S	S	*	*			trans	120.8	112.9	168.9	0	0	0	0	0	117.1
278	S	29	Very low	29.9	Very low	120 Å²	120	124.7 Å²	124.7	84%	0.839	78%	0.775	S	S	*	*				12.8	151.3	115.1	-56.7	0	0	0	0	119.8
279	S	28.6	Very low	29.7	Very low	106 Å²	106	122.6 Å²	122.6	74%	0.741	78%	0.776	S	S	*	*			cis	-179.2	164.6	-6.2	48.5	0	0	0	0	110.8
280	A	29.2	Very low	29.5	Very low	98 Å²	98	122.7 Å²	122.7	81%	0.81	78%	0.778	S	S	*	*			trans	59.6	129.6	147.3	0	0	0	0	0	121.3
281	G	25.9	Very low	29.6	Very low	68 Å²	68	122.2 Å²	122.2	70%	0.701	79%	0.785	S	S	*	*				105.9	134.5	111	0	0	0	0	0	119.5
282	V	30.7	Very low	29.7	Very low	149 Å²	149	125 Å²	125	90%	0.903	79%	0.79	S	S	*	*			trans	58.1	102.3	146.6	-168.1	0	0	0	0	118.6
283	G	24.9	Very low	29.5	Very low	67 Å²	67	122.8 Å²	122.8	69%	0.691	79%	0.788	S	S	*	*				76.7	147.4	110.2	0	0	0	0	0	120.9
284	S	26.6	Very low	29.5	Very low	111 Å²	111	123.3 Å²	123.3	78%	0.776	79%	0.786	S	S	*	*			trans	61.2	101.3	163.5	-69.6	0	0	0	0	119.7
285	L	30.3	Very low	29.1	Very low	161 Å²	161	125 Å²	125	84%	0.843	79%	0.787	S	S	*	*				58.6	123.7	119.1	-71.6	162.8	0	0	0	121
286	A	27.4	Very low	29.1	Very low	76 Å²	76	126 Å²	126	63%	0.628	78%	0.78	S	S	*	*			trans	73.4	91.7	138.1	0	0	0	0	0	119.3
287	F	26.2	Very low	30.2	Very low	218 Å²	218	128.1 Å²	128.1	96%	0.956	78%	0.78	S	S	*	*				-110.5	101.7	125.5	-91	-90.1	0	0	0	109.9
288	Y	42.6	Very low	30.4	Very low	220 Å²	220	128.1 Å²	128.1	86%	0.863	77%	0.773	S	S	*	*			trans	-115.1	130.8	156.7	-95.3	-90.1	0	0	0	105.7
289	P	30.9	Very low	30.3	Very low	127 Å²	127	125.6 Å²	125.6	83%	0.825	77%	0.766	S	S	*	*				-137.1	179.7	86.6	20.7	1.8	0	0	0	112.2
290	G	22.7	Very low	30.5	Very low	62 Å²	62	128.9 Å²	128.9	64%	0.639	77%	0.774	S	S	*	*			cis	139.5	72.9	1.4	0	0	0	0	0	113
291	V	39.7	Very low	30.7	Very low	141 Å²	141	127.9 Å²	127.9	86%	0.855	77%	0.766	S	S	*	*			trans	40.9	116.1	156.1	-165	0	0	0	0	119.8
292	R	29	Very low	31	Very low	234 Å²	234	136.4 Å²	136.4	88%	0.883	78%	0.777	S	S	*	*			trans	-178.7	160.8	157.1	-104	154.6	-159	-76.2	0.7	108.8
293	S	31.2	Very low	31	Very low	104 Å²	104	133.4 Å²	133.4	73%	0.727	77%	0.768	S	S	*	*			cis	-162.3	175.4	-14.1	-147.8	0	0	0	0	105.8
294	A	29.4	Very low	31.3	Very low	70 Å²	70	134.9 Å²	134.9	58%	0.579	77%	0.774	S	S	*	*			cis	-154.5	175.3	18.9	0	0	0	0	0	108.4
295	F	24.3	Very low	31.5	Very low	199 Å²	199	134.9 Å²	134.9	87%	0.873	78%	0.78	S	S	*	*			cis	-145.8	156.2	28.2	-116.6	-79.8	0	0	0	114
296	K	29.8	Very low	31.4	Very low	166 Å²	166	132.1 Å²	132.1	72%	0.722	78%	0.781	S	S	*	*			trans	-156.2	152.3	157.9	-151	-169.6	-177.6	-162.9	0	108.9	A298	K296-A298 WeakPolarHBondContact CD-O 3.4Å; K296-A298 VanDerWaalsContact CE-O 3.28Å; K296-A298 WeakPolarHBondContact CE-O 3.48Å; K296-A298 PolarHBondContact NZ-O 2.88Å
297	P	48.7	Very low	31.5	Very low	119 Å²	119	133.1 Å²	133.1	77%	0.773	79%	0.789	S	S	*	*				-130.6	151.2	121.7	35.3	-27.7	0	0	0	111.3
298	A	31.3	Very low	31.5	Very low	74 Å²	74	132.2 Å²	132.2	61%	0.612	79%	0.787	S	S	*	*			cis	-133.1	-149.1	2.6	0	0	0	0	0	110.4	K296	K296-A298 WeakPolarHBondContact CD-O 3.4Å; K296-A298 VanDerWaalsContact CE-O 3.28Å; K296-A298 WeakPolarHBondContact CE-O 3.48Å; K296-A298 PolarHBondContact NZ-O 2.88Å
299	G	27.6	Very low	30.6	Very low	67 Å²	67	125.6 Å²	125.6	69%	0.691	79%	0.787	S	S	*	*			cis	-177.4	-136.1	12	0	0	0	0	0	113.4
300	L	32.9	Very low	30.4	Very low	175 Å²	175	127 Å²	127	92%	0.916	79%	0.787	S	S	*	*			trans	-101.9	162.5	-167.3	-82.8	72.5	0	0	0	113.7
301	A	32.7	Very low	32.2	Very low	77 Å²	77	129 Å²	129	64%	0.636	79%	0.788	S	S	*	*			cis	-175.3	151.8	-23.8	0	0	0	0	0	112.3
302	R	32.3	Very low	31.5	Very low	248 Å²	248	132 Å²	132	94%	0.936	79%	0.786	S	S	*	*			trans	61.2	156.2	155.3	-73.1	-172.2	169.8	-166.1	-3.4	119.1
303	A	30	Very low	31.4	Very low	85 Å²	85	128.1 Å²	128.1	70%	0.702	77%	0.771	S	S	*	*			cis	-166.9	153.4	-24.4	0	0	0	0	0	112.8
304	A	31.8	Very low	31.1	Very low	98 Å²	98	129.6 Å²	129.6	81%	0.81	77%	0.767	S	S	*	*			trans	69.9	139.6	145	0	0	0	0	0	123.9
305	A	30.1	Very low	30.9	Very low	111 Å²	111	133.8 Å²	133.8	92%	0.917	77%	0.774	S	S	*	*			trans	78.9	157.3	146.7	0	0	0	0	0	120.7
306	A	28.8	Very low	31	Very low	103 Å²	103	129.2 Å²	129.2	85%	0.851	77%	0.767	S	S	*	*			trans	-124.6	158.7	-166.9	0	0	0	0	0	112
307	A	30.2	Very low	31	Very low	98 Å²	98	124.4 Å²	124.4	81%	0.81	77%	0.765	S	S	*	*			trans	-179.9	162.6	144.7	0	0	0	0	0	113.1
308	H	26.2	Very low	30	Very low	198 Å²	198	124.2 Å²	124.2	92%	0.917	77%	0.766	S	S	*	*			trans	-46.4	155	176.6	-64.6	-107.6	0	0	0	118
309	G	23.8	Very low	30.1	Very low	82 Å²	82	128.9 Å²	128.9	85%	0.845	77%	0.772	S	S	*	*			trans	170.9	119.7	159	0	0	0	0	0	113.9
310	D	25.9	Very low	30.2	Very low	157 Å²	157	134.1 Å²	134.1	84%	0.84	78%	0.779	S	S	*	*			trans	-144	173.7	178.4	-156.9	37.5	0	0	0	107.7
311	P	60.8	Low	29.9	Very low	102 Å²	102	129.1 Å²	129.1	66%	0.662	77%	0.77	S	S	*	*				-120.2	163.9	-76	35.5	-23.5	0	0	0	115
312	Y	24.7	Very low	29.8	Very low	204 Å²	204	131.1 Å²	131.1	80%	0.8	79%	0.786	S	S	*	*			trans	-165.9	159.9	166.6	-145.8	-106.5	0	0	0	111
313	R	26.8	Very low	29.6	Very low	153 Å²	153	122.3 Å²	122.3	58%	0.577	77%	0.773	S	S	*	*			cis	-174	143.1	-48.5	174.3	-179.5	131	151.2	10.9	107.4
314	E	24.8	Very low	29.8	Very low	135 Å²	135	126.1 Å²	126.1	63%	0.631	78%	0.781	S	S	*	*			trans	62.5	167	166.4	-83.7	168.6	168.6	0	0	117.2
315	E	25.9	Very low	29.7	Very low	159 Å²	159	127.3 Å²	127.3	74%	0.743	78%	0.778	S	S	*	*			cis	-142.5	-155.2	-2.2	-138.5	-142.5	78.8	0	0	113.9
316	S	26.5	Very low	29.9	Very low	103 Å²	103	130 Å²	130	72%	0.72	78%	0.776	S	S	*	*			trans	-83.3	-170.9	-164.2	71.3	0	0	0	0	118.1
317	G	28.4	Very low	29.9	Very low	65 Å²	65	128 Å²	128	67%	0.67	77%	0.766	S	S	*	*			trans	108.3	94.4	166.8	0	0	0	0	0	114.9
318	S	29.1	Very low	30	Very low	114 Å²	114	134.7 Å²	134.7	80%	0.797	77%	0.77	S	S	*	*			cis	92.2	117.7	37.7	91.4	0	0	0	0	116.1
319	K	32	Very low	30.3	Very low	172 Å²	172	131.4 Å²	131.4	75%	0.748	76%	0.759	S	S	*	*			trans	70.2	131.2	153	-76.8	179.7	172.8	178	0	122.4
320	Q	31	Very low	30.7	Very low	177 Å²	177	135.4 Å²	135.4	83%	0.827	76%	0.76	S	S	*	*			trans	67.9	151.1	139.5	-64.2	164.3	-36.8	0	0	118.7
321	G	26.6	Very low	30.7	Very low	71 Å²	71	131.5 Å²	131.5	73%	0.732	76%	0.757	S	S	*	*			cis	161	145.6	-13.6	0	0	0	0	0	115.3
322	A	30.3	Very low	29.1	Very low	118 Å²	118	131 Å²	131	98%	0.975	77%	0.77	S	S	*	*			trans	70.6	158.8	163.3	0	0	0	0	0	121.1
323	G	28.4	Very low	29.2	Very low	64 Å²	64	124.6 Å²	124.6	66%	0.66	77%	0.767	S	S	*	*			trans	127.3	103.1	-176.7	0	0	0	0	0	111.4
324	L	33.5	Very low	29.3	Very low	165 Å²	165	129.6 Å²	129.6	86%	0.864	79%	0.785	S	S	*	*				66.6	133.5	67.8	-56.7	179	0	0	0	112.3
325	T	30.9	Very low	29.4	Very low	122 Å²	122	127 Å²	127	75%	0.748	79%	0.787	S	S	*	*			cis	-159.5	-169	19.9	-11.7	0	0	0	0	113.9
326	L	32.8	Very low	29.4	Very low	167 Å²	167	126.1 Å²	126.1	87%	0.874	80%	0.797	S	S	*	*			trans	-39.8	166	172.5	-83.5	58	0	0	0	117.7
327	G	29.4	Very low	29.3	Very low	63 Å²	63	125.1 Å²	125.1	65%	0.649	80%	0.802	S	S	*	*			cis	132.9	135.3	-8	0	0	0	0	0	116.9
328	R	32.3	Very low	29.2	Very low	238 Å²	238	133.7 Å²	133.7	90%	0.898	81%	0.814	S	S	*	*			trans	68.3	160.9	167.7	-68.2	-176.4	145.9	-174.1	-5.5	117
329	L	33.2	Very low	29.8	Very low	129 Å²	129	134 Å²	134	68%	0.675	81%	0.814	S	S	*	*			cis	-156.6	156.1	-4.1	-146.8	69	0	0	0	113.8
330	L	32.5	Very low	29.5	Very low	165 Å²	165	128.8 Å²	128.8	86%	0.864	81%	0.809	S	S	*	*			trans	11.6	149.1	151.9	-68.6	167.8	0	0	0	125.5
331	G	25.9	Very low	29.3	Very low	76 Å²	76	126.6 Å²	126.6	78%	0.784	81%	0.813	S	S	*	*				152.4	110.1	124.1	0	0	0	0	0	123
332	G	26.8	Very low	29.2	Very low	90 Å²	90	126.2 Å²	126.2	93%	0.928	81%	0.81	S	S	*	*			trans	77.3	161.1	151.8	0	0	0	0	0	120
333	G	26	Very low	29.1	Very low	71 Å²	71	129.8 Å²	129.8	73%	0.732	81%	0.806	S	S	*	*			cis	159.5	147.3	-15.9	0	0	0	0	0	115.8
334	R	29.5	Very low	29.1	Very low	258 Å²	258	133.4 Å²	133.4	97%	0.974	81%	0.811	S	S	*	*			trans	70.8	158.6	172.1	-74.4	-175	-88.8	-124	0.2	117.5
335	A	26.1	Very low	28.9	Very low	80 Å²	80	130.6 Å²	130.6	66%	0.661	81%	0.805	S	S	*	*			cis	-170.5	176.7	-20.3	0	0	0	0	0	112.9
336	C	25.8	Very low	28.8	Very low	141 Å²	141	129.6 Å²	129.6	95%	0.953	81%	0.808	S	S	*	*			trans	80	139.9	157.4	-62.6	0	0	0	0	121.9
337	G	24.9	Very low	28.6	Very low	81 Å²	81	126.6 Å²	126.6	84%	0.835	81%	0.808	S	S	*	*			trans	161.6	124.4	168.5	0	0	0	0	0	116
338	R	26.1	Very low	28.4	Very low	245 Å²	245	127.5 Å²	127.5	93%	0.925	82%	0.817	S	S	*	*			trans	-160.5	173.5	175.3	-131	-167.9	175.7	-158.6	0.8	107
339	P	42.3	Very low	28.2	Very low	120 Å²	120	120.2 Å²	120.2	78%	0.779	82%	0.817	S	S	*	*			cis	-137.6	-166.7	-6	43.9	-25.1	0	0	0	115.2
340	G	24.8	Very low	28	Very low	64 Å²	64	119.3 Å²	119.3	66%	0.66	83%	0.827	S	S	*	*			trans	137	116.1	164.7	0	0	0	0	0	112
341	S	26.5	Very low	27.8	Very low	130 Å²	130	114.5 Å²	114.5	91%	0.909	82%	0.818	S	S	*	*				75.4	119.3	59	70.7	0	0	0	0	113.9
342	G	26.3	Very low	28	Very low	64 Å²	64	118.7 Å²	118.7	66%	0.66	82%	0.816	S	S	*	*			cis	173.2	-180	-3.8	0	0	0	0	0	112.3
343	E	27.7	Very low	28.2	Very low	193 Å²	193	123.2 Å²	123.2	90%	0.902	81%	0.813	S	S	*	*			trans	66.9	157.1	160.3	-63.9	-179	100.3	0	0	119.8
344	N	27.9	Very low	28.4	Very low	140 Å²	140	127.4 Å²	127.4	75%	0.749	81%	0.813	S	S	*	*			cis	-164	175.1	-42.1	-142.1	-13	0	0	0	111.3
345	S	29.4	Very low	28.4	Very low	106 Å²	106	124.4 Å²	124.4	74%	0.741	81%	0.81	S	S	*	*			trans	75.1	134.6	168.8	-54.7	0	0	0	0	117.5
346	A	28.5	Very low	28.7	Very low	100 Å²	100	127.4 Å²	127.4	83%	0.826	81%	0.81	S	S	*	*			cis	97.7	144.2	34.8	0	0	0	0	0	112.9
347	A	29.2	Very low	28.9	Very low	104 Å²	104	129.5 Å²	129.5	86%	0.86	81%	0.806	S	S	*	*			cis	-158.1	172.7	7	0	0	0	0	0	114
348	G	25.9	Very low	29.2	Very low	82 Å²	82	129 Å²	129	85%	0.845	79%	0.794	S	S	*	*			trans	90.1	138.3	164.1	0	0	0	0	0	116.6
349	G	27.1	Very low	29.6	Very low	86 Å²	86	126.6 Å²	126.6	89%	0.887	79%	0.792	S	S	*	*			cis	104.6	132.9	1.8	0	0	0	0	0	113.2
350	A	29.7	Very low	29.1	Very low	109 Å²	109	129.9 Å²	129.9	90%	0.901	80%	0.797	S	S	*	*			cis	-153.3	-167.1	-2.2	0	0	0	0	0	108.7
351	G	27.6	Very low	29.6	Very low	64 Å²	64	134 Å²	134	66%	0.66	80%	0.799	S	S	*	*			cis	176.3	-175.7	7.2	0	0	0	0	0	113.1
352	H	29.5	Very low	29.7	Very low	164 Å²	164	136.4 Å²	136.4	76%	0.759	80%	0.795	S	S	*	*			trans	15.6	149.2	160.8	-53	-65.6	0	0	0	122.7
353	H	31.8	Very low	30.3	Very low	186 Å²	186	141 Å²	141	86%	0.861	80%	0.799	S	S	*	*			cis	-150.8	170	47.3	-90.6	-89.5	0	0	0	116.3
354	H	29.8	Very low	32	Very low	158 Å²	158	136.6 Å²	136.6	73%	0.731	79%	0.787	S	S	*	*			trans	-89.7	164.7	176.4	-70.3	-51.6	0	0	0	114.5
355	H	30.5	Very low	32	Very low	195 Å²	195	139.4 Å²	139.4	90%	0.903	79%	0.793	S	S	*	*				-139.7	146.8	128	-123.2	-73.6	0	0	0	111.2
356	H	30.6	Very low	32.2	Very low	144 Å²	144	140 Å²	140	67%	0.667	80%	0.795	S	S	*	*			trans	-137	136.4	-172.5	-124.7	-84.8	0	0	0	110.5
357	H	30.5	Very low	32.3	Very low	185 Å²	185	142.9 Å²	142.9	86%	0.856	80%	0.796	S	S	*	*			trans	-174.3	115.9	150.9	-104.3	-75.4	0	0	0	106.4
358	A	31.7	Very low	32.5	Very low	71 Å²	71	145.2 Å²	145.2	59%	0.587	79%	0.793	S	S	*	*			cis	86.9	98.4	34.2	0	0	0	0	0	114.1
359	H	33.9	Very low	32.8	Very low	194 Å²	194	146.2 Å²	146.2	90%	0.898	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-90.8	152.2	160.3	-91	-94.3	0	0	0	110.1
360	H	33	Very low	32.9	Very low	189 Å²	189	145.5 Å²	145.5	88%	0.875	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-82.4	151.4	-173.8	-94.5	-109.5	0	0	0	115.3
361	H	34.2	Very low	32.7	Very low	150 Å²	150	147.6 Å²	147.6	69%	0.694	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-91.1	160.8	168.2	-81	-106.8	0	0	0	112.3
362	H	29.7	Very low	32.6	Very low	181 Å²	181	150.4 Å²	150.4	84%	0.838	79%	0.787	S	S	*	*				-161.3	128.9	120.5	-80.6	-64.1	0	0	0	107.3
363	H	37.9	Very low	34.2	Very low	161 Å²	161	148.1 Å²	148.1	75%	0.745	79%	0.786	S	S	*	*			cis	100.6	149.2	43.2	-103.1	-123.6	0	0	0	114.9
364	P	63.4	Low	35.5	Very low	99 Å²	99	144.7 Å²	144.7	64%	0.643	78%	0.781	S	S	*	*			trans	-130.8	-152	-142.3	45.7	-29.7	0	0	0	113.4
365	K	28.8	Very low	37	Very low	200 Å²	200	142.4 Å²	142.4	87%	0.87	78%	0.78	S	S	*	*			trans	-163.6	161.9	156.4	-109.3	150.3	-173.7	177	0	115.2
366	C	33.2	Very low	38.6	Very low	118 Å²	118	138.9 Å²	138.9	80%	0.797	78%	0.775	S	S	*	*			trans	-130.9	-159.7	176.8	-55.4	0	0	0	0	110.1
367	L	29.4	Very low	40.1	Very low	160 Å²	160	136.3 Å²	136.3	84%	0.838	77%	0.771	S	S	*	*			trans	112.6	161.6	171.1	-62.7	173.2	0	0	0	114.9
368	L	35	Very low	40.1	Very low	154 Å²	154	136.5 Å²	136.5	81%	0.806	77%	0.771	S	S	*	*				-169.8	149.2	-59.3	-117.8	-178.3	0	0	0	112.5
369	A	31.2	Very low	40	Very low	102 Å²	102	136.1 Å²	136.1	84%	0.843	78%	0.775	S	S	*	*			trans	69.4	153.9	150.8	0	0	0	0	0	124.3
370	G	28.9	Very low	40	Very low	72 Å²	72	135.1 Å²	135.1	74%	0.742	78%	0.775	S	S	*	*			trans	114.3	151	176.4	0	0	0	0	0	114.6
371	D	26.3	Very low	40.6	Very low	152 Å²	152	131 Å²	131	81%	0.813	77%	0.765	S	S	*	*			cis	-159.8	-153.8	-20.4	-148.5	-72.8	0	0	0	111.3
372	T	25.8	Very low	40.3	Very low	123 Å²	123	129.5 Å²	129.5	76%	0.755	77%	0.77	S	S	*	*			trans	-137.8	157.5	-159.9	19.6	0	0	0	0	117.8
373	P	62	Low	40.4	Very low	116 Å²	116	126.4 Å²	126.4	75%	0.753	77%	0.769	S	S	*	*			trans	-108.5	-82.8	-149.2	22.9	0.2	0	0	0	116.8
374	P	59.3	Low	39.9	Very low	115 Å²	115	122.5 Å²	122.5	75%	0.747	77%	0.772	S	S	*	*			cis	-95.2	-71.3	-28.3	7.2	9.8	0	0	0	121.5
375	P	62.1	Low	38.3	Very low	109 Å²	109	122.2 Å²	122.2	71%	0.708	78%	0.778	S	S	*	*			trans	-128	-156.4	-147	45.3	-27.8	0	0	0	113.9
376	P	63.2	Low	38.4	Very low	122 Å²	122	120.8 Å²	120.8	79%	0.792	78%	0.779	S	S	*	*			cis	-120	-78.4	-12.2	16.3	6.9	0	0	0	122.3
377	P	62.1	Low	38.3	Very low	90 Å²	90	127.4 Å²	127.4	58%	0.584	79%	0.788	S	S	*	*			trans	-107.1	179.5	-146.3	45	-38.9	0	0	0	114.9
378	H	31.3	Very low	38.2	Very low	188 Å²	188	123.5 Å²	123.5	87%	0.87	79%	0.786	S	S	*	*			cis	-119.5	-145.2	4	-58.2	-102.9	0	0	0	110.2
379	G	30	Very low	38	Very low	64 Å²	64	126 Å²	126	66%	0.66	79%	0.791	S	S	*	*			cis	-177.1	170.5	4.2	0	0	0	0	0	112.8
380	L	32.2	Very low	38.8	Very low	172 Å²	172	126.2 Å²	126.2	90%	0.901	78%	0.783	S	S	*	*			trans	-152.7	171.1	-166.5	-74	-178.8	0	0	0	110.8
381	P	47.4	Very low	38.7	Very low	103 Å²	103	129.6 Å²	129.6	67%	0.669	78%	0.783	S	S	*	*			cis	-142.6	175.5	16.6	45	-27.5	0	0	0	118.4
382	C	27.3	Very low	38.8	Very low	118 Å²	118	129.6 Å²	129.6	80%	0.797	78%	0.783	S	S	*	*			trans	59.4	158.6	142.8	-74.4	0	0	0	0	120.9
383	S	31.1	Very low	38.6	Very low	117 Å²	117	128.6 Å²	128.6	82%	0.818	78%	0.781	S	S	*	*			cis	-166.7	167.6	-13.4	-104.8	0	0	0	0	109.5
384	G	27.3	Very low	37	Very low	79 Å²	79	129.5 Å²	129.5	81%	0.814	78%	0.784	S	S	*	*			trans	121.7	137.6	157	0	0	0	0	0	115.6
385	A	29.8	Very low	36.7	Very low	93 Å²	93	129.2 Å²	129.2	77%	0.769	78%	0.782	S	S	*	*			trans	-153.4	165.5	-178.2	0	0	0	0	0	112.5
386	L	31.7	Very low	35.7	Very low	169 Å²	169	129.5 Å²	129.5	89%	0.885	78%	0.784	S	S	*	*			trans	68.5	121.5	164.4	-54.7	174.2	0	0	0	119.1
387	R	31.7	Very low	34	Very low	258 Å²	258	132.8 Å²	132.8	97%	0.974	79%	0.789	S	S	*	*				-175.6	148.1	118.5	-101.1	175	-169.7	-137.6	3.5	111.8
388	G	26.3	Very low	32.8	Very low	78 Å²	78	137.8 Å²	137.8	80%	0.804	80%	0.804	S	S	*	*			trans	101.8	94	153.7	0	0	0	0	0	118.9
389	F	30.6	Very low	32.7	Very low	207 Å²	207	133.8 Å²	133.8	91%	0.908	80%	0.804	S	S	*	*			trans	-100.5	178	149.1	-78.7	-80	0	0	0	108.2
390	P	47.4	Very low	33.1	Very low	106 Å²	106	136.1 Å²	136.1	69%	0.688	81%	0.81	S	S	*	*			cis	-140.7	-170	8.4	28.7	-1.9	0	0	0	116.8
391	L	28.3	Very low	32.7	Very low	142 Å²	142	132.7 Å²	132.7	74%	0.743	81%	0.806	S	S	*	*			trans	90.9	106.9	152.5	-54.4	-173.3	0	0	0	123
392	L	26.7	Very low	31.8	Very low	152 Å²	152	136.9 Å²	136.9	80%	0.796	81%	0.814	S	S	*	*				69.1	136.1	122.7	-66.2	172.9	0	0	0	124.7
393	S	23.6	Very low	32	Very low	102 Å²	102	140.5 Å²	140.5	71%	0.713	82%	0.817	S	S	*	*			trans	92	106.2	145.1	-62	0	0	0	0	123.1
394	V	27.7	Very low	32.1	Very low	135 Å²	135	143 Å²	143	82%	0.818	82%	0.815	S	S	*	*				38.6	144.5	125.8	-165.8	0	0	0	0	120.9
395	P	52.6	Low	32.1	Very low	110 Å²	110	145.9 Å²	145.9	71%	0.714	82%	0.817	S	S	*	*			cis	-119.2	-164.5	-31	38.6	-20.2	0	0	0	111.6
396	P	41.6	Very low	32.1	Very low	115 Å²	115	148.8 Å²	148.8	75%	0.747	81%	0.814	S	S	*	*				-140.5	173.1	99.1	21.7	1.6	0	0	0	112.6
397	E	26.1	Very low	31.9	Very low	191 Å²	191	151.4 Å²	151.4	89%	0.893	81%	0.813	S	S	*	*			cis	80.7	139.6	36.6	-154.8	176.3	-143.4	0	0	115.8
398	E	37.4	Very low	31.7	Very low	194 Å²	194	143.3 Å²	143.3	91%	0.907	80%	0.8	S	S	*	*			trans	-88.3	128.9	-175.4	-68.1	-179.2	81.6	0	0	113.6
399	A	28.7	Very low	32.8	Very low	105 Å²	105	145.2 Å²	145.2	87%	0.868	80%	0.799	S	S	*	*			trans	-161.1	147.3	150.1	0	0	0	0	0	112.8
400	S	39.4	Very low	33	Very low	112 Å²	112	141.3 Å²	141.3	78%	0.783	79%	0.794	S	S	*	*			trans	-82	155.9	177.6	-178.4	0	0	0	0	113.2
401	A	24.4	Very low	31.9	Very low	100 Å²	100	140.3 Å²	140.3	83%	0.826	80%	0.795	S	S	*	*			trans	-146.2	142.2	171.8	0	0	0	0	0	113.4
402	F	28.8	Very low	31.9	Very low	191 Å²	191	139.3 Å²	139.3	84%	0.838	80%	0.8	S	S	*	*			trans	-130.4	136.7	178.8	-106.1	-88.1	0	0	0	110.8
403	K	31.3	Very low	31.8	Very low	195 Å²	195	136.8 Å²	136.8	85%	0.848	80%	0.801	S	S	*	*			trans	172.6	128.7	150.1	-96.5	158.4	-179.6	-177.7	0	108.8
404	H	32.8	Very low	31.8	Very low	168 Å²	168	136.8 Å²	136.8	78%	0.778	81%	0.807	S	S	*	*				91	111.3	53.9	-99.2	-84.4	0	0	0	115.2
405	V	27.6	Very low	32.1	Very low	140 Å²	140	138.6 Å²	138.6	85%	0.848	81%	0.811	S	S	*	*			trans	-162.7	103.8	145.5	171.2	0	0	0	0	105
406	E	29.9	Very low	31.1	Very low	155 Å²	155	139.3 Å²	139.3	72%	0.724	82%	0.816	S	S	*	*				61.4	112.6	87	-79	-130.3	137.6	0	0	117.5
407	R	26.1	Very low	30.4	Very low	224 Å²	224	137 Å²	137	85%	0.845	81%	0.813	S	S	*	*				174.6	163.3	97.3	-153.3	162.9	-175.2	87.9	-3.6	111.2
408	A	27.3	Very low	30.7	Very low	87 Å²	87	132.9 Å²	132.9	72%	0.719	81%	0.811	S	S	*	*			trans	-151.6	-164.7	-174	0	0	0	0	0	110.8
409	P	50.1	Low	30.4	Very low	119 Å²	119	133 Å²	133	77%	0.773	80%	0.804	S	S	*	*			cis	-118.1	-169	-40.7	40.3	-25.3	0	0	0	111.2
410	P	34	Very low	30.6	Very low	125 Å²	125	136 Å²	136	81%	0.812	79%	0.794	S	S	*	*				-150.2	-162.7	88.2	40.3	-21.7	0	0	0	113.3
411	A	25.5	Very low	30	Very low	84 Å²	84	134.4 Å²	134.4	69%	0.694	79%	0.787	S	S	*	*				-165.9	132.7	-66.3	0	0	0	0	0	110.4
412	S	28	Very low	30.2	Very low	122 Å²	122	136.7 Å²	136.7	85%	0.853	78%	0.78	S	S	*	*			trans	41.9	114.6	159.1	62	0	0	0	0	123.4
413	A	25.5	Very low	30.2	Very low	99 Å²	99	135.3 Å²	135.3	82%	0.818	78%	0.781	S	S	*	*			trans	-174.7	116.6	137.6	0	0	0	0	0	108.6
414	A	23.7	Very low	30.4	Very low	102 Å²	102	130.9 Å²	130.9	84%	0.843	77%	0.772	S	S	*	*				85.6	126.5	72.9	0	0	0	0	0	114.6
415	L	33.9	Very low	30.8	Very low	172 Å²	172	128 Å²	128	90%	0.901	77%	0.768	S	S	*	*			trans	-77.3	149.4	177.4	-70.5	165.5	0	0	0	111.5
416	P	31.9	Very low	30.9	Very low	126 Å²	126	126 Å²	126	82%	0.818	77%	0.766	S	S	*	*				-145.3	-179.7	90.2	36.2	-18.2	0	0	0	113.9
417	G	26.3	Very low	31.2	Very low	67 Å²	67	124.8 Å²	124.8	69%	0.691	77%	0.772	S	S	*	*			cis	139.4	78.1	-9.8	0	0	0	0	0	116.4
418	A	31.2	Very low	31.2	Very low	103 Å²	103	117.4 Å²	117.4	85%	0.851	77%	0.766	S	S	*	*			trans	64.9	-178.8	163	0	0	0	0	0	115.7
419	R	32.3	Very low	31.3	Very low	197 Å²	197	121.4 Å²	121.4	74%	0.743	77%	0.774	S	S	*	*			cis	-130.5	-165.8	6.4	-51.4	173.8	-169.6	-179.9	5	108.6
420	Y	31.9	Very low	30.4	Very low	169 Å²	169	120.8 Å²	120.8	66%	0.663	77%	0.77	S	S	*	*			cis	-152.5	179.3	6.3	-108.8	-53.4	0	0	0	106.1	Q422	Y420-Q422 VanDerWaalsContact CE1-OE1 3.31Å
421	A	28.4	Very low	30.2	Very low	77 Å²	77	123.3 Å²	123.3	64%	0.636	78%	0.776	S	S	*	*			cis	-149.4	158.8	-1.5	0	0	0	0	0	106.6
422	Q	27.6	Very low	30.4	Very low	148 Å²	148	126.4 Å²	126.4	69%	0.692	78%	0.776	S	S	*	*				64.8	131	59.7	-53.6	-171.2	-65.8	0	0	113.7	Y420	Y420-Q422 VanDerWaalsContact CE1-OE1 3.31Å
423	L	27.9	Very low	30.4	Very low	162 Å²	162	131.4 Å²	131.4	85%	0.848	78%	0.776	S	S	*	*			cis	-132.9	173.6	30.8	-96.1	93.1	0	0	0	117
424	P	37.1	Very low	30.4	Very low	102 Å²	102	132.2 Å²	132.2	66%	0.662	78%	0.775	S	S	*	*			trans	-110.2	-152	-176.5	46.2	-34.2	0	0	0	111.3
425	P	40.9	Very low	30.6	Very low	108 Å²	108	131.6 Å²	131.6	70%	0.701	77%	0.77	S	S	*	*			cis	-143.5	155.7	-2.5	39.5	-18.9	0	0	0	120.4
426	A	29	Very low	30.4	Very low	97 Å²	97	131.1 Å²	131.1	80%	0.802	77%	0.767	S	S	*	*			trans	59.8	170.5	135.5	0	0	0	0	0	121.2
427	P	36.4	Very low	30.5	Very low	130 Å²	130	130.3 Å²	130.3	84%	0.844	76%	0.762	S	S	*	*			cis	-121.7	171.9	-8.5	40.9	-27.9	0	0	0	114.6
428	G	25.7	Very low	30.8	Very low	70 Å²	70	132.4 Å²	132.4	72%	0.722	76%	0.763	S	S	*	*			trans	134.6	64.7	154.4	0	0	0	0	0	119.1
429	L	29.4	Very low	30.8	Very low	171 Å²	171	135.8 Å²	135.8	90%	0.895	77%	0.766	S	S	*	*			trans	166.4	135.7	131.6	-90.9	171	0	0	0	110.1
430	P	31.7	Very low	30.6	Very low	105 Å²	105	133.7 Å²	133.7	68%	0.682	77%	0.77	S	S	*	*			trans	-83.7	133.2	-179.8	32.4	-32.8	0	0	0	112.4	E432	P430-E432 VanDerWaalsContact C-N 3.25Å; P430-E432 PolarHBondContact O-N 2.79Å; P430-E432 VanDerWaalsContact O-N 3.12Å
431	L	30.4	Very low	30.8	Very low	179 Å²	179	132.8 Å²	132.8	94%	0.937	78%	0.782	S	S	*	*			trans	-81.4	74.4	162.8	-176.7	72.8	0	0	0	108.7
432	E	28.4	Very low	30.8	Very low	148 Å²	148	132.9 Å²	132.9	69%	0.692	79%	0.791	S	S	*	*			trans	-72.1	136.8	177.7	-104.2	-51.6	144.4	0	0	112	P430	P430-E432 VanDerWaalsContact C-N 3.25Å; P430-E432 PolarHBondContact O-N 2.79Å; P430-E432 VanDerWaalsContact O-N 3.12Å
433	R	29	Very low	30.8	Very low	227 Å²	227	129 Å²	129	86%	0.857	79%	0.79	S	S	*	*			trans	-115.3	71.5	-166.8	-173.7	-177.7	179.4	165	-0.5	108.4	A435	R433-A435 VanDerWaalsContact C-N 3.31Å; R433-A435 PolarHBondContact O-N 3.5Å
434	C	25.2	Very low	30.8	Very low	117 Å²	117	129.8 Å²	129.8	79%	0.791	79%	0.794	S	S	*	*			trans	-59.5	86.1	-176.7	-62.5	0	0	0	0	112.7
435	A	27.8	Very low	30.3	Very low	89 Å²	89	134.8 Å²	134.8	74%	0.736	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-69.7	132.5	158.9	0	0	0	0	0	108.5	R433	R433-A435 VanDerWaalsContact C-N 3.31Å; R433-A435 PolarHBondContact O-N 3.5Å
436	L	30.5	Very low	29.8	Very low	162 Å²	162	133.6 Å²	133.6	85%	0.848	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-77.4	142.6	167	-65.8	174.1	0	0	0	108.9
437	P	32.8	Very low	29.7	Very low	109 Å²	109	139.9 Å²	139.9	71%	0.708	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-71.8	151.9	-173.5	29.7	-35.8	0	0	0	112
438	P	32.5	Very low	29.9	Very low	110 Å²	110	139.3 Å²	139.3	71%	0.714	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-66.2	141.6	164	30.9	-33.7	0	0	0	109.8
439	L	31	Very low	30	Very low	174 Å²	174	139.9 Å²	139.9	91%	0.911	81%	0.812	S	S	*	*			trans	-95.9	110.3	166.9	-98.3	161.5	0	0	0	108.3
440	D	29.6	Very low	30	Very low	154 Å²	154	135.7 Å²	135.7	82%	0.824	81%	0.81	S	S	*	*			trans	-66	148.4	-177.7	-82.1	-51.2	0	0	0	113.1
441	T	36	Very low	30.1	Very low	149 Å²	149	139.7 Å²	139.7	91%	0.914	82%	0.82	S	S	*	*			trans	-91.4	119.5	179	30.7	0	0	0	0	112
442	G	27.6	Very low	29.9	Very low	80 Å²	80	136.8 Å²	136.8	83%	0.825	81%	0.813	S	S	*	*			trans	-175.3	130.5	164.8	0	0	0	0	0	111.9
443	G	27.6	Very low	30	Very low	66 Å²	66	134.3 Å²	134.3	68%	0.68	81%	0.812	S	S	*	*			cis	170.8	157.4	-9.4	0	0	0	0	0	111.6
444	L	28.1	Very low	30	Very low	179 Å²	179	132.5 Å²	132.5	94%	0.937	81%	0.813	S	S	*	*			trans	61.2	133.5	172.6	-54	168.4	0	0	0	114.8
445	K	27.4	Very low	30.5	Very low	206 Å²	206	135 Å²	135	90%	0.896	82%	0.818	S	S	*	*			cis	-164.7	159.3	27.8	-165.1	174.3	-178.2	178.7	0	108.8
446	A	28.6	Very low	30.9	Very low	84 Å²	84	136.7 Å²	136.7	69%	0.694	82%	0.821	S	S	*	*			trans	-106.1	158.5	-175.1	0	0	0	0	0	114.5
447	Y	28.1	Very low	31.1	Very low	228 Å²	228	133.4 Å²	133.4	89%	0.894	82%	0.817	S	S	*	*			trans	-177.9	172.4	135.4	-104.6	-60.4	0	0	0	110.8
448	P	40.2	Very low	31.3	Very low	118 Å²	118	135 Å²	135	77%	0.766	83%	0.825	S	S	*	*				-126.4	177.7	-117.1	46.3	-32.6	0	0	0	116.7
449	G	28.6	Very low	31.2	Very low	83 Å²	83	137.2 Å²	137.2	86%	0.856	83%	0.827	S	S	*	*			trans	116.3	131.9	152.1	0	0	0	0	0	115.4
450	G	29.8	Very low	31.6	Very low	83 Å²	83	132.3 Å²	132.3	86%	0.856	81%	0.806	S	S	*	*			trans	134.8	133.7	-179	0	0	0	0	0	111.4
451	E	32.7	Very low	32.1	Very low	188 Å²	188	129.3 Å²	129.3	88%	0.879	80%	0.803	S	S	*	*			trans	-107.9	166.3	-168.9	-59.1	-173.9	154.5	0	0	113.4
452	C	26.1	Very low	32.4	Very low	118 Å²	118	128.1 Å²	128.1	80%	0.797	79%	0.785	S	S	*	*			trans	78.8	118.9	164.6	-72.3	0	0	0	0	121.1
453	S	29.9	Very low	33.2	Very low	97 Å²	97	129 Å²	129	68%	0.678	78%	0.775	S	S	*	*			trans	98.8	142.1	133	-59.5	0	0	0	0	122.2
454	H	30.3	Very low	33.9	Very low	188 Å²	188	130.5 Å²	130.5	87%	0.87	77%	0.77	S	S	*	*			trans	95.3	149.3	161.5	-54.8	-65.6	0	0	0	120.1
455	L	36.3	Very low	34.1	Very low	169 Å²	169	130.2 Å²	130.2	89%	0.885	76%	0.758	S	S	*	*			trans	-84.6	166.3	-168.7	-67.1	154.7	0	0	0	112.8
456	P	34.6	Very low	34.3	Very low	126 Å²	126	127.5 Å²	127.5	82%	0.818	75%	0.753	S	S	*	*			trans	-124.7	157.4	136.2	36.5	-29.3	0	0	0	113.9
457	A	35.9	Very low	35	Very low	92 Å²	92	126.8 Å²	126.8	76%	0.76	75%	0.754	S	S	*	*			trans	-85.5	158.7	-169.9	0	0	0	0	0	114.9
458	V	35.8	Very low	35.5	Very low	142 Å²	142	120.6 Å²	120.6	86%	0.861	73%	0.733	S	S	*	*			trans	-128.6	118.3	155.1	180	0	0	0	0	108.2
459	M	30.3	Very low	35.4	Very low	157 Å²	157	119.2 Å²	119.2	77%	0.773	72%	0.719	S	S	*	*			trans	-117.6	127	172.1	-83.2	-88.1	-73.6	0	0	108.2
460	P	39.8	Very low	36	Very low	71 Å²	71	119 Å²	119	46%	0.461	70%	0.698	S	S	.	*			trans	-72.1	147	175.6	30.4	-34	0	0	0	111.1	Y471	P460-Y471 HydrophobicContact CG-CE2 4.39Å
461	A	40.4	Very low	36.6	Very low	91 Å²	91	121.8 Å²	121.8	75%	0.752	68%	0.684	S	S	*	*			trans	-76.8	148.4	180	0	0	0	0	0	112.3
462	F	41.4	Very low	36.8	Very low	124 Å²	124	115.5 Å²	115.5	54%	0.544	67%	0.669	S	S	.	*			trans	-112.2	142.8	171.8	-63.6	-88.6	0	0	0	109.9	L469 Y471	F462-L469 HydrophobicContact CB-CD2 4.02Å; F462-L469 HydrophobicContact CD1-CD2 4.48Å; F462-Y471 HydrophobicContact CE1-CD2 4.03Å
463	T	45.6	Very low	37.4	Very low	100 Å²	100	112.9 Å²	112.9	61%	0.613	65%	0.652	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-123.8	140.1	172	40	0	0	0	0	110.8	L470	T463-L470 PolarHBondContact O-N 2.92Å
464	V	41.5	Very low	37.9	Very low	97 Å²	97	115.1 Å²	115.1	59%	0.588	66%	0.664	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-109.7	133	179.1	-179.3	0	0	0	0	108.8	E468 L469	V464-E468 WeakPolarHBondContact CA-O 3.49Å; V464-L469 HydrophobicContact CG2-CD2 3.57Å; V464-L469 HydrophobicContact CG2-CG 3.98Å
465	Y	33.4	Very low	38.6	Very low	173 Å²	173	110.2 Å²	110.2	68%	0.678	66%	0.656	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-137.8	131.2	172.6	-165.7	-100.5	0	0	0	109.6	G467 E468	Y465-G467 PolarHBondContact O-N 2.89Å; Y465-E468 PolarHBondContact N-O 3.49Å; Y465-E468 VanDerWaalsContact N-O 3.13Å; Y465-E468 PolarHBondContact O-N 2.97Å; Y465-E468 VanDerWaalsContact O-N 3.08Å
466	N	31.6	Very low	38.7	Very low	148 Å²	148	107.2 Å²	107.2	79%	0.791	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.7	30.3	-176.7	-67.6	-9.8	0	0	0	115.6
467	G	43.9	Very low	39	Very low	69 Å²	69	108.2 Å²	108.2	71%	0.711	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	86.6	2	177.3	0	0	0	0	0	116	Y465	Y465-G467 PolarHBondContact O-N 2.89Å
468	E	36.8	Very low	39.1	Very low	98 Å²	98	106.8 Å²	106.8	46%	0.458	64%	0.638	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.4	141.2	170.1	-62.2	-163.4	143.1	0	0	111	V464 Y465 K483	V464-E468 WeakPolarHBondContact CA-O 3.49Å; Y465-E468 PolarHBondContact N-O 3.49Å; Y465-E468 VanDerWaalsContact N-O 3.13Å; Y465-E468 PolarHBondContact O-N 2.97Å; Y465-E468 VanDerWaalsContact O-N 3.08Å; E468-K483 IonicContact OE1-NZ 3.36Å; E468-K483 PolarHBondContact OE1-NZ 2.79Å
469	L	39	Very low	39.3	Very low	90 Å²	90	108.7 Å²	108.7	47%	0.471	63%	0.631	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.6	123.3	178.4	-94.1	161.7	0	0	0	109.6	F462 V464	F462-L469 HydrophobicContact CB-CD2 4.02Å; F462-L469 HydrophobicContact CD1-CD2 4.48Å; V464-L469 HydrophobicContact CG2-CD2 3.57Å; V464-L469 HydrophobicContact CG2-CG 3.98Å
470	L	41.7	Very low	39.5	Very low	78 Å²	78	111.1 Å²	111.1	41%	0.408	63%	0.632	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.9	128.1	177	-61.4	179.2	0	0	0	110.6	T463	T463-L470 PolarHBondContact O-N 2.92Å
471	Y	41.2	Very low	39.3	Very low	142 Å²	142	113 Å²	113	56%	0.557	65%	0.645	S	S	*	*			trans	-102.4	131.4	171	178.4	-96.9	0	0	0	109.3	P460 F462	P460-Y471 HydrophobicContact CG-CE2 4.39Å; F462-Y471 HydrophobicContact CE1-CD2 4.03Å
472	G	38.2	Very low	39	Very low	56 Å²	56	115.2 Å²	115.2	58%	0.577	64%	0.643	S	S	*	*			trans	-144.6	118	176.9	0	0	0	0	0	110.8
473	S	38.4	Very low	38.8	Very low	63 Å²	63	116.7 Å²	116.7	44%	0.441	65%	0.649	S	S	.	*			trans	-84.2	143.8	165.4	-177.3	0	0	0	0	108.9	A475	S473-A475 PolarHBondContact O-N 3.36Å
474	P	39.3	Very low	38.3	Very low	143 Å²	143	117.9 Å²	117.9	93%	0.929	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	1.2	-172.8	-24.1	34.9	0	0	0	117.1
475	A	44.9	Very low	38	Very low	85 Å²	85	122.1 Å²	122.1	70%	0.702	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	-11.3	-163.5	0	0	0	0	0	116.3	S473	S473-A475 PolarHBondContact O-N 3.36Å
476	T	38.5	Very low	37.9	Very low	106 Å²	106	121.6 Å²	121.6	65%	0.65	67%	0.666	S	S	*	*			trans	-143.3	124.4	-174.3	46.2	0	0	0	0	114.1	A478	T476-A478 PolarHBondContact O-N 3.49Å
477	T	42	Very low	38.2	Very low	147 Å²	147	118.3 Å²	118.3	90%	0.902	67%	0.667	S	S	*	*			trans	-81.2	54.8	-178.9	-40.3	0	0	0	0	112.4
478	A	38.2	Very low	37.9	Very low	63 Å²	63	118.4 Å²	118.4	52%	0.521	67%	0.668	S	S	.	*			trans	-134.5	100	-178	0	0	0	0	0	111.8	T476	T476-A478 PolarHBondContact O-N 3.49Å
479	Y	39.2	Very low	38	Very low	182 Å²	182	121.3 Å²	121.3	71%	0.714	69%	0.686	S	S	*	*			trans	-85.3	125.4	178.1	-69.8	-85.8	0	0	0	111.9
480	Y	35.4	Very low	37.7	Very low	207 Å²	207	124.4 Å²	124.4	81%	0.812	70%	0.702	S	S	*	*			trans	-115.2	122.6	170.3	-81.1	-88.5	0	0	0	110.7	L482	Y480-L482 PolarHBondContact O-N 2.98Å
481	P	34.7	Very low	37.1	Very low	111 Å²	111	130.4 Å²	130.4	72%	0.721	73%	0.725	S	S	*	*			trans	-80.8	108.7	-179.2	30.5	-33.1	0	0	0	112.1
482	L	34.6	Very low	36.6	Very low	138 Å²	138	134 Å²	134	72%	0.723	74%	0.739	S	S	*	*			trans	-88.3	113.4	173.8	-74.1	171.5	0	0	0	111.1	Y480 L484	Y480-L482 PolarHBondContact O-N 2.98Å; L482-L484 PolarHBondContact O-N 2.81Å
483	K	36.9	Very low	36.4	Very low	154 Å²	154	136.3 Å²	136.3	67%	0.67	74%	0.744	S	S	*	*			trans	-97.4	81.7	-176.4	-151.1	171.5	-159.7	73.1	0	112.5	E468	E468-K483 IonicContact OE1-NZ 3.36Å; E468-K483 PolarHBondContact OE1-NZ 2.79Å
484	L	35.9	Very low	36.2	Very low	125 Å²	125	141.7 Å²	141.7	65%	0.654	76%	0.763	S	S	*	*			trans	-85.2	122.9	-179.7	-65.1	175.1	0	0	0	112.2	L482 F486	L482-L484 PolarHBondContact O-N 2.81Å; L484-F486 HydrophobicContact CB-CE2 4.27Å; L484-F486 PolarHBondContact O-N 2.93Å
485	H	33.7	Very low	36.4	Very low	186 Å²	186	140.1 Å²	140.1	86%	0.861	76%	0.755	S	S	*	*			trans	-87.9	101.1	169.9	-88.9	-78.3	0	0	0	110.8	G487	H485-G487 PolarHBondContact O-N 3.03Å; H485-G487 VanDerWaalsContact O-N 3.12Å
486	F	31.3	Very low	35.8	Very low	162 Å²	162	142.2 Å²	142.2	71%	0.711	75%	0.753	S	S	*	*			trans	-73.7	99.5	169.3	-78.6	-83.8	0	0	0	110.9	L484	L484-F486 HydrophobicContact CB-CE2 4.27Å; L484-F486 PolarHBondContact O-N 2.93Å
487	G	37.5	Very low	35.8	Very low	80 Å²	80	143.1 Å²	143.1	83%	0.825	76%	0.763	S	S	*	*			trans	-146	76.5	176.2	0	0	0	0	0	111.5	H485	H485-G487 PolarHBondContact O-N 3.03Å; H485-G487 VanDerWaalsContact O-N 3.12Å
488	G	38.8	Very low	35.4	Very low	71 Å²	71	145.6 Å²	145.6	73%	0.732	76%	0.758	S	S	*	*	S	Bend	trans	170.6	-18.5	177.8	0	0	0	0	0	117.3	L490	G488-L490 PolarHBondContact O-N 2.93Å
489	L	38.4	Very low	35.3	Very low	159 Å²	159	152.7 Å²	152.7	83%	0.832	78%	0.777	S	S	*	*			trans	-96.3	47.3	-175.3	-67.4	178.4	0	0	0	114.4
490	L	32.6	Very low	35	Very low	155 Å²	155	149.1 Å²	149.1	81%	0.812	78%	0.779	S	S	*	*			trans	-127	83.3	160.9	-75.2	176.9	0	0	0	109.4	G488 Y492	G488-L490 PolarHBondContact O-N 2.93Å; L490-Y492 PolarHBondContact O-N 3.22Å
491	K	30.2	Very low	34.8	Very low	203 Å²	203	142.6 Å²	142.6	88%	0.883	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-69.3	119.4	154.7	-88.6	-172.8	173.4	-176.8	0	107.2	P493	K491-P493 WeakPolarHBondContact O-CD 3.34Å
492	Y	30.3	Very low	35.2	Very low	217 Å²	217	144 Å²	144	85%	0.851	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-65.2	129	157.7	-85.6	-95.9	0	0	0	108.6	L490	L490-Y492 PolarHBondContact O-N 3.22Å
493	P	33.9	Very low	35.2	Very low	106 Å²	106	142 Å²	142	69%	0.688	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-72	132.9	160.8	-7.8	25.1	0	0	0	108.7	K491	K491-P493 WeakPolarHBondContact O-CD 3.34Å
494	E	32.9	Very low	35.4	Very low	176 Å²	176	139.9 Å²	139.9	82%	0.822	80%	0.798	S	S	*	*	S	Bend	trans	-64.9	146.4	162.9	-76.6	-88.7	130.7	0	0	109.8
495	S	44.5	Very low	35.7	Very low	109 Å²	109	138.7 Å²	138.7	76%	0.762	81%	0.807	S	S	*	*			trans	42	87.2	160.1	54.3	0	0	0	0	119.2
496	I	32.7	Very low	36.1	Very low	130 Å²	130	134.5 Å²	134.5	67%	0.667	80%	0.804	S	S	*	*			trans	-123.6	117.7	150.8	-50.9	-178.5	0	0	0	109.7	Y498	I496-Y498 HydrophobicContact CG2-CD2 3.55Å; I496-Y498 HydrophobicContact CG2-CE2 3.73Å; I496-Y498 PolarHBondContact O-N 2.83Å
497	S	38.2	Very low	36.4	Very low	124 Å²	124	133.4 Å²	133.4	87%	0.867	81%	0.805	S	S	*	*			trans	-85.5	102.8	177.4	-63.4	0	0	0	0	110.7
498	Y	32.9	Very low	36.6	Very low	200 Å²	200	131.8 Å²	131.8	78%	0.784	78%	0.781	S	S	*	*			trans	-109.1	83.6	174	-101.3	-73.7	0	0	0	112.3	I496	I496-Y498 HydrophobicContact CG2-CD2 3.55Å; I496-Y498 HydrophobicContact CG2-CE2 3.73Å; I496-Y498 PolarHBondContact O-N 2.83Å
499	F	36.8	Very low	37	Very low	211 Å²	211	134 Å²	134	93%	0.925	78%	0.782	S	S	*	*			trans	-115.1	73.8	162.3	-112.8	-73.4	0	0	0	109.2
500	S	33.4	Very low	37.3	Very low	107 Å²	107	130 Å²	130	75%	0.748	77%	0.773	S	S	*	*	S	Bend	trans	172.8	144.7	159.5	-83.2	0	0	0	0	111.1
501	G	30.8	Very low	37.7	Very low	70 Å²	70	129 Å²	129	72%	0.722	76%	0.764	S	S	*	*			trans	101.3	133.4	166.5	0	0	0	0	0	115.6
502	P	43.6	Very low	38.2	Very low	140 Å²	140	124.1 Å²	124.1	91%	0.909	75%	0.747	S	S	*	*			trans	-94.4	107.6	-173.5	34.6	-32.3	0	0	0	113.6
503	A	34.8	Very low	38.7	Very low	96 Å²	96	115.9 Å²	115.9	79%	0.793	73%	0.728	S	S	*	*			trans	-137.5	11.4	168.6	0	0	0	0	0	113.9	A505	A503-A505 VanDerWaalsContact C-N 3.34Å; A503-A505 PolarHBondContact O-N 3.43Å
504	A	40.5	Very low	39.1	Very low	111 Å²	111	114.2 Å²	114.2	92%	0.917	72%	0.718	S	S	*	*			trans	-84.1	66.5	-175.4	0	0	0	0	0	112.7
505	A	42.3	Very low	39.4	Very low	100 Å²	100	111.1 Å²	111.1	83%	0.826	71%	0.707	S	S	*	*			trans	-146.1	39	-174.2	0	0	0	0	0	114.7	A503	A503-A505 VanDerWaalsContact C-N 3.34Å; A503-A505 PolarHBondContact O-N 3.43Å
506	A	41.9	Very low	39.7	Very low	98 Å²	98	108 Å²	108	81%	0.81	69%	0.688	S	S	*	*			trans	-147.6	24.5	-175.9	0	0	0	0	0	116
507	L	36.4	Very low	40.5	Very low	138 Å²	138	104.8 Å²	104.8	72%	0.723	68%	0.677	S	S	*	*	S	Bend	trans	-127.2	142.7	175.3	-71.1	176.5	0	0	0	111.6	L512	L507-L512 HydrophobicContact CB-CD1 4Å
508	S	43	Very low	40.8	Very low	46 Å²	46	102.7 Å²	102.7	32%	0.322	66%	0.655	S	S	.	*			trans	-74	141.9	-176.7	79.1	0	0	0	0	111.7	A510 E511	S508-A510 PolarHBondContact O-N 2.83Å; S508-A510 VanDerWaalsContact O-N 3.15Å; S508-E511 PolarHBondContact O-N 3.49Å; S508-E511 PolarHBondContact OG-OE2 3.16Å; S508-E511 VanDerWaalsContact OG-OE2 3.09Å
509	P	47.6	Very low	41.5	Very low	118 Å²	118	97.7 Å²	97.7	77%	0.766	64%	0.642	S	S	*	*	H	α-helix	trans	-60.7	-23.6	176.9	-26.6	35.6	0	0	0	114.3	G513	P509-G513 PolarHBondContact O-N 2.79Å; P509-G513 VanDerWaalsContact O-N 3.08Å
510	A	44.2	Very low	42.2	Very low	76 Å²	76	95.7 Å²	95.7	63%	0.628	63%	0.628	S	S	*	*	H	α-helix	trans	-71.4	-44	-177.8	0	0	0	0	0	112.7	S508 G513 S514	S508-A510 PolarHBondContact O-N 2.83Å; S508-A510 VanDerWaalsContact O-N 3.15Å; A510-G513 PolarHBondContact O-N 3.5Å; A510-S514 PolarHBondContact O-N 3.14Å
511	E	41.1	Very low	43.1	Very low	134 Å²	134	93 Å²	93	63%	0.626	60%	0.604	S	S	*	*	H	α-helix	trans	-75	-38.5	-177.1	-67.9	174.3	125.2	0	0	111.8	S508 G513 S514 L515	S508-E511 PolarHBondContact O-N 3.49Å; S508-E511 PolarHBondContact OG-OE2 3.16Å; S508-E511 VanDerWaalsContact OG-OE2 3.09Å; E511-G513 VanDerWaalsContact C-N 3.27Å; E511-G513 PolarHBondContact O-N 2.83Å; E511-S514 PolarHBondContact O-N 3.31Å; E511-S514 VanDerWaalsContact O-N 3.16Å; E511-L515 PolarHBondContact O-N 3.36Å
512	L	40.1	Very low	44.2	Very low	99 Å²	99	93.7 Å²	93.7	52%	0.518	59%	0.59	S	S	.	*	H	α-helix	trans	-58.4	-39.5	167.9	-83	156.8	0	0	0	111.6	L507 A516	L507-L512 HydrophobicContact CB-CD1 4Å; L512-A516 WeakPolarHBondContact O-CB 3.04Å; L512-A516 PolarHBondContact O-N 3.43Å
513	G	41.7	Very low	44.7	Very low	44 Å²	44	89.6 Å²	89.6	45%	0.454	57%	0.568	S	S	.	*	H	α-helix	trans	-61.9	-41	173.4	0	0	0	0	0	113.3	P509 A510 E511 S517	P509-G513 PolarHBondContact O-N 2.79Å; P509-G513 VanDerWaalsContact O-N 3.08Å; A510-G513 PolarHBondContact O-N 3.5Å; E511-G513 VanDerWaalsContact C-N 3.27Å; E511-G513 PolarHBondContact O-N 2.83Å; G513-S517 VanDerWaalsContact O-CB 3.3Å; G513-S517 WeakPolarHBondContact O-CB 3.19Å; G513-S517 PolarHBondContact O-N 3.32Å
514	S	42	Very low	45.6	Very low	71 Å²	71	88.5 Å²	88.5	50%	0.497	55%	0.547	S	S	.	.	H	α-helix	trans	-70.9	-45.5	178.3	-169	0	0	0	0	112.5	A510 E511 S517 I518	A510-S514 PolarHBondContact O-N 3.14Å; E511-S514 PolarHBondContact O-N 3.31Å; E511-S514 VanDerWaalsContact O-N 3.16Å; S514-S517 WeakPolarHBondContact O-CB 3.28Å; S514-S517 PolarHBondContact O-N 3.34Å; S514-S517 VanDerWaalsContact O-N 3.15Å; S514-I518 PolarHBondContact O-N 3.25Å
515	L	39.2	Very low	46.3	Very low	112 Å²	112	85.3 Å²	85.3	59%	0.586	51%	0.513	S	S	*	.	H	α-helix	trans	-65.6	-45.7	179.4	-155.1	76.1	0	0	0	110.7	E511 S517 I518 D519	E511-L515 PolarHBondContact O-N 3.36Å; L515-S517 PolarHBondContact O-N 3.48Å; L515-I518 PolarHBondContact O-N 2.77Å; L515-I518 VanDerWaalsContact O-N 3.1Å; L515-D519 PolarHBondContact O-N 3Å
516	A	49.9	Very low	46.9	Very low	43 Å²	43	84.5 Å²	84.5	36%	0.355	50%	0.495	S	S	.	.	H	α-helix	trans	-65.3	-21	173.4	0	0	0	0	0	113.3	L512 R520	L512-A516 WeakPolarHBondContact O-CB 3.04Å; L512-A516 PolarHBondContact O-N 3.43Å; A516-R520 WeakPolarHBondContact O-CB 3.25Å; A516-R520 PolarHBondContact O-N 2.98Å
517	S	49.1	Very low	47.6	Very low	62 Å²	62	85.1 Å²	85.1	43%	0.434	48%	0.481	S	S	.	.	H	α-helix	trans	-74.1	-41.8	170.4	-168.8	0	0	0	0	111.6	G513 S514 L515 R520 E521	G513-S517 VanDerWaalsContact O-CB 3.3Å; G513-S517 WeakPolarHBondContact O-CB 3.19Å; G513-S517 PolarHBondContact O-N 3.32Å; S514-S517 WeakPolarHBondContact O-CB 3.28Å; S514-S517 PolarHBondContact O-N 3.34Å; S514-S517 VanDerWaalsContact O-N 3.15Å; L515-S517 PolarHBondContact O-N 3.48Å; S517-R520 PolarHBondContact O-N 3.25Å; S517-E521 WeakPolarHBondContact O-CB 3.3Å; S517-E521 PolarHBondContact O-N 3.27Å
518	I	46	Very low	48.5	Very low	81 Å²	81	80.2 Å²	80.2	42%	0.415	45%	0.454	S	S	.	.	H	α-helix	trans	-66.7	-46	176.6	-66.3	166.6	0	0	0	110.2	S514 L515 R520 E521 I522	S514-I518 PolarHBondContact O-N 3.25Å; L515-I518 PolarHBondContact O-N 2.77Å; L515-I518 VanDerWaalsContact O-N 3.1Å; I518-R520 VanDerWaalsContact C-N 3.32Å; I518-R520 PolarHBondContact O-N 3.21Å; I518-E521 PolarHBondContact O-N 3.01Å; I518-E521 VanDerWaalsContact O-N 3.16Å; I518-I522 HydrophobicContact CG2-CD1 3.81Å; I518-I522 HydrophobicContact CG2-CG1 4.49Å; I518-I522 WeakPolarHBondContact O-CB 3.41Å; I518-I522 VanDerWaalsContact O-CG1 3.3Å; I518-I522 WeakPolarHBondContact O-CG1 3.42Å; I518-I522 PolarHBondContact O-N 3Å
519	D	47.4	Very low	49.1	Very low	95 Å²	95	80.5 Å²	80.5	51%	0.508	45%	0.452	S	S	.	.	H	α-helix	trans	-65.9	-34.3	176.4	-72.8	-33	0	0	0	112.1	L515 I522 A523	L515-D519 PolarHBondContact O-N 3Å; D519-I522 PolarHBondContact O-N 3.08Å; D519-A523 WeakPolarHBondContact O-CB 3.48Å; D519-A523 PolarHBondContact O-N 3.35Å
520	R	52	Low	49.5	Very low	169 Å²	169	78.3 Å²	78.3	64%	0.638	44%	0.44	S	S	*	.	H	α-helix	trans	-68.2	-37.1	171.4	-175.7	-175.9	-58	157.2	4	112.2	A516 S517 I518 A523 M524	A516-R520 WeakPolarHBondContact O-CB 3.25Å; A516-R520 PolarHBondContact O-N 2.98Å; S517-R520 PolarHBondContact O-N 3.25Å; I518-R520 VanDerWaalsContact C-N 3.32Å; I518-R520 PolarHBondContact O-N 3.21Å; R520-A523 PolarHBondContact O-N 3.39Å; R520-M524 VanDerWaalsContact O-CB 3.25Å; R520-M524 WeakPolarHBondContact O-CB 3.34Å; R520-M524 WeakPolarHBondContact O-CG 3.44Å; R520-M524 PolarHBondContact O-N 3.44Å
521	E	52.6	Low	50.1	Low	51 Å²	51	80.4 Å²	80.4	24%	0.238	44%	0.437	C	S	.	.	H	α-helix	trans	-68.4	-39.7	174.7	-177.4	168.1	-156.3	0	0	111.4	S517 I518 M524 H525 T597	S517-E521 WeakPolarHBondContact O-CB 3.3Å; S517-E521 PolarHBondContact O-N 3.27Å; I518-E521 PolarHBondContact O-N 3.01Å; I518-E521 VanDerWaalsContact O-N 3.16Å; E521-M524 PolarHBondContact O-N 3.34Å; E521-H525 VanDerWaalsContact O-CB 3.31Å; E521-H525 WeakPolarHBondContact O-CB 3.31Å; E521-H525 PolarHBondContact O-N 3.12Å; E521-T597 HydrophobicContact CG-CG2 4.11Å; E521-T597 VanDerWaalsContact OE1-CG2 3.28Å; E521-T597 WeakPolarHBondContact OE1-CG2 3.27Å
522	I	52.5	Low	50.7	Low	84 Å²	84	76 Å²	76	43%	0.431	42%	0.416	S	S	.	.	H	α-helix	trans	-67	-42	172.9	-68.6	167.1	0	0	0	111	I518 D519 H525 N526	I518-I522 HydrophobicContact CG2-CD1 3.81Å; I518-I522 HydrophobicContact CG2-CG1 4.49Å; I518-I522 WeakPolarHBondContact O-CB 3.41Å; I518-I522 VanDerWaalsContact O-CG1 3.3Å; I518-I522 WeakPolarHBondContact O-CG1 3.42Å; I518-I522 PolarHBondContact O-N 3Å; D519-I522 PolarHBondContact O-N 3.08Å; I522-H525 WeakPolarHBondContact O-CB 3.2Å; I522-H525 PolarHBondContact O-N 3.03Å; I522-N526 WeakPolarHBondContact O-CB 3.39Å; I522-N526 PolarHBondContact O-N 3.39Å; I522-N526 PolarHBondContact O-ND2 3.01Å
523	A	53.8	Low	51.2	Low	53 Å²	53	75.2 Å²	75.2	44%	0.438	42%	0.424	S	S	.	.	H	α-helix	trans	-63.1	-45.9	174.3	0	0	0	0	0	111.2	D519 R520 H525 N526 Q527	D519-A523 WeakPolarHBondContact O-CB 3.48Å; D519-A523 PolarHBondContact O-N 3.35Å; R520-A523 PolarHBondContact O-N 3.39Å; A523-H525 VanDerWaalsContact C-N 3.3Å; A523-H525 PolarHBondContact O-N 2.71Å; A523-N526 PolarHBondContact O-N 3.34Å; A523-Q527 VanDerWaalsContact O-CB 3.22Å; A523-Q527 WeakPolarHBondContact O-CB 3.36Å; A523-Q527 PolarHBondContact O-N 3.34Å
524	M	54.8	Low	51.8	Low	73 Å²	73	76.8 Å²	76.8	36%	0.36	43%	0.433	S	S	.	.	H	α-helix	trans	-59.5	-39.3	172.4	-72.8	-99.3	-77.2	0	0	111.7	R520 E521 Q528	R520-M524 VanDerWaalsContact O-CB 3.25Å; R520-M524 WeakPolarHBondContact O-CB 3.34Å; R520-M524 WeakPolarHBondContact O-CG 3.44Å; R520-M524 PolarHBondContact O-N 3.44Å; E521-M524 PolarHBondContact O-N 3.34Å; M524-Q528 VanDerWaalsContact O-CB 3.29Å; M524-Q528 WeakPolarHBondContact O-CB 3.24Å; M524-Q528 VanDerWaalsContact O-CG 3.24Å; M524-Q528 WeakPolarHBondContact O-CG 3.35Å; M524-Q528 PolarHBondContact O-N 3.22Å
525	H	55.6	Low	52.5	Low	44 Å²	44	76.9 Å²	76.9	20%	0.204	45%	0.445	C	S	.	.	H	α-helix	trans	-66.7	-46.2	176.9	-167.5	76.2	0	0	0	111.9	E521 I522 A523 Q528 L529	E521-H525 VanDerWaalsContact O-CB 3.31Å; E521-H525 WeakPolarHBondContact O-CB 3.31Å; E521-H525 PolarHBondContact O-N 3.12Å; I522-H525 WeakPolarHBondContact O-CB 3.2Å; I522-H525 PolarHBondContact O-N 3.03Å; A523-H525 VanDerWaalsContact C-N 3.3Å; A523-H525 PolarHBondContact O-N 2.71Å; H525-Q528 PolarHBondContact O-N 3.31Å; H525-L529 WeakPolarHBondContact O-CB 3.25Å; H525-L529 VanDerWaalsContact O-CG 3.26Å; H525-L529 WeakPolarHBondContact O-CG 3.49Å; H525-L529 PolarHBondContact O-N 2.81Å
526	N	53.3	Low	52.8	Low	84 Å²	84	81.2 Å²	81.2	45%	0.449	46%	0.459	S	S	.	.	H	α-helix	trans	-68.3	-37.1	177.4	-75.8	-34.8	0	0	0	112.1	I522 A523 L529 S530	I522-N526 WeakPolarHBondContact O-CB 3.39Å; I522-N526 PolarHBondContact O-N 3.39Å; I522-N526 PolarHBondContact O-ND2 3.01Å; A523-N526 PolarHBondContact O-N 3.34Å; N526-L529 PolarHBondContact O-N 2.96Å; N526-S530 VanDerWaalsContact O-CB 3.3Å; N526-S530 WeakPolarHBondContact O-CB 3.31Å; N526-S530 PolarHBondContact O-N 3.43Å; N526-S530 PolarHBondContact O-OG 3.31Å
527	Q	56.7	Low	52.5	Low	111 Å²	111	82.7 Å²	82.7	52%	0.519	48%	0.479	S	S	.	.	H	α-helix	trans	-64.4	-48.8	172.2	179.9	171.1	-15.3	0	0	110.6	A523 L529 S530 E531	A523-Q527 VanDerWaalsContact O-CB 3.22Å; A523-Q527 WeakPolarHBondContact O-CB 3.36Å; A523-Q527 PolarHBondContact O-N 3.34Å; Q527-L529 VanDerWaalsContact C-N 3.3Å; Q527-L529 PolarHBondContact O-N 3.04Å; Q527-S530 CarbonylContact O-C 3.55Å; Q527-S530 PolarHBondContact O-N 2.77Å; Q527-E531 HydrophobicContact CG-CG 4.23Å; Q527-E531 WeakPolarHBondContact CG-OE1 3.36Å; Q527-E531 PolarHBondContact NE2-OE1 3.1Å; Q527-E531 WeakPolarHBondContact O-CB 3.35Å; Q527-E531 WeakPolarHBondContact O-CG 3.45Å; Q527-E531 PolarHBondContact O-N 3.3Å
528	Q	56.1	Low	52.3	Low	34 Å²	34	90.3 Å²	90.3	16%	0.159	50%	0.498	C	S	.	.	H	α-helix	trans	-59.7	-38.5	174.2	-76.9	179.1	-3.8	0	0	112.3	M524 H525 S530 M532	M524-Q528 VanDerWaalsContact O-CB 3.29Å; M524-Q528 WeakPolarHBondContact O-CB 3.24Å; M524-Q528 VanDerWaalsContact O-CG 3.24Å; M524-Q528 WeakPolarHBondContact O-CG 3.35Å; M524-Q528 PolarHBondContact O-N 3.22Å; H525-Q528 PolarHBondContact O-N 3.31Å; Q528-S530 VanDerWaalsContact C-N 3.34Å; Q528-M532 HydrophobicContact CB-CE 4.29Å; Q528-M532 WeakPolarHBondContact O-CB 3.38Å; Q528-M532 VanDerWaalsContact O-CE 3.25Å; Q528-M532 WeakPolarHBondContact O-CE 3.5Å; Q528-M532 WeakPolarHBondContact O-CG 3.47Å; Q528-M532 PolarHBondContact O-N 2.84Å
529	L	54.8	Low	51.8	Low	52 Å²	52	89.8 Å²	89.8	27%	0.272	51%	0.512	S	S	.	.	H	α-helix	trans	-64.5	-37.1	173	-75.5	171.9	0	0	0	112.4	H525 N526 Q527 M532 A533 K590	H525-L529 WeakPolarHBondContact O-CB 3.25Å; H525-L529 VanDerWaalsContact O-CG 3.26Å; H525-L529 WeakPolarHBondContact O-CG 3.49Å; H525-L529 PolarHBondContact O-N 2.81Å; N526-L529 PolarHBondContact O-N 2.96Å; Q527-L529 VanDerWaalsContact C-N 3.3Å; Q527-L529 PolarHBondContact O-N 3.04Å; L529-M532 HydrophobicContact CD2-CE 4.23Å; L529-M532 PolarHBondContact O-N 3.03Å; L529-A533 WeakPolarHBondContact O-CB 3.4Å; L529-A533 PolarHBondContact O-N 3.33Å; L529-K590 HydrophobicContact CD2-CD 4.2Å; L529-K590 VanDerWaalsContact CD2-NZ 3.28Å
530	S	56.5	Low	51.3	Low	72 Å²	72	94.8 Å²	94.8	50%	0.503	52%	0.524	S	S	.	.	H	α-helix	trans	-76.1	-44	-179.5	-58.3	0	0	0	0	112.4	N526 Q527 Q528 M532 A533 A534	N526-S530 VanDerWaalsContact O-CB 3.3Å; N526-S530 WeakPolarHBondContact O-CB 3.31Å; N526-S530 PolarHBondContact O-N 3.43Å; N526-S530 PolarHBondContact O-OG 3.31Å; Q527-S530 CarbonylContact O-C 3.55Å; Q527-S530 PolarHBondContact O-N 2.77Å; Q528-S530 VanDerWaalsContact C-N 3.34Å; S530-M532 PolarHBondContact O-N 3.26Å; S530-A533 CarbonylContact O-C 3.32Å; S530-A533 WeakPolarHBondContact O-CA 3.48Å; S530-A533 PolarHBondContact O-N 3.49Å; S530-A534 WeakPolarHBondContact O-CB 3.29Å; S530-A534 PolarHBondContact O-N 2.85Å
531	E	56.3	Low	50.6	Low	121 Å²	121	93.6 Å²	93.6	57%	0.565	53%	0.53	S	S	*	.	H	α-helix	trans	-61	-34.5	169.6	-69.5	173.4	-178.9	0	0	111.3	Q527 A533	Q527-E531 HydrophobicContact CG-CG 4.23Å; Q527-E531 WeakPolarHBondContact CG-OE1 3.36Å; Q527-E531 PolarHBondContact NE2-OE1 3.1Å; Q527-E531 WeakPolarHBondContact O-CB 3.35Å; Q527-E531 WeakPolarHBondContact O-CG 3.45Å; Q527-E531 PolarHBondContact O-N 3.3Å; E531-A533 VanDerWaalsContact C-N 3.32Å
532	M	53.4	Low	49.5	Very low	41 Å²	41	95.7 Å²	95.7	20%	0.202	54%	0.543	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-22.1	170.2	-81.4	-167.9	-86.1	0	0	114	Q528 L529 S530 K586	Q528-M532 HydrophobicContact CB-CE 4.29Å; Q528-M532 WeakPolarHBondContact O-CB 3.38Å; Q528-M532 VanDerWaalsContact O-CE 3.25Å; Q528-M532 WeakPolarHBondContact O-CE 3.5Å; Q528-M532 WeakPolarHBondContact O-CG 3.47Å; Q528-M532 PolarHBondContact O-N 2.84Å; L529-M532 HydrophobicContact CD2-CE 4.23Å; L529-M532 PolarHBondContact O-N 3.03Å; S530-M532 PolarHBondContact O-N 3.26Å; M532-K586 HydrophobicContact CG-CD 4.46Å; M532-K586 VanDerWaalsContact CG-CE 3.49Å; M532-K586 HydrophobicContact CG-CG 4.27Å; M532-K586 WeakPolarHBondContact O-CE 3.42Å; M532-K586 PolarHBondContact O-NZ 3.48Å; M532-K586 HydrophobicContact SD-CD 4.38Å; M532-K586 HydrophobicContact SD-CG 3.67Å
533	A	52	Low	48.8	Very low	82 Å²	82	98.4 Å²	98.4	68%	0.678	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-39	179.2	0	0	0	0	0	112.4	L529 S530 E531 G535	L529-A533 WeakPolarHBondContact O-CB 3.4Å; L529-A533 PolarHBondContact O-N 3.33Å; S530-A533 CarbonylContact O-C 3.32Å; S530-A533 WeakPolarHBondContact O-CA 3.48Å; S530-A533 PolarHBondContact O-N 3.49Å; E531-A533 VanDerWaalsContact C-N 3.32Å; A533-G535 PolarHBondContact O-N 3.25Å
534	A	54.3	Low	48.2	Very low	78 Å²	78	98.6 Å²	98.6	65%	0.645	58%	0.576	S	S	*	*	S	Bend	trans	-76.6	53.6	179.1	0	0	0	0	0	112.2	S530 K536	S530-A534 WeakPolarHBondContact O-CB 3.29Å; S530-A534 PolarHBondContact O-N 2.85Å; A534-K536 VanDerWaalsContact C-N 3.34Å; A534-K536 PolarHBondContact O-N 3.41Å
535	G	55.9	Low	47.5	Very low	73 Å²	73	101.7 Å²	101.7	75%	0.753	60%	0.6	S	S	*	*			trans	-67.3	80	-172.3	0	0	0	0	0	114	A533	A533-G535 PolarHBondContact O-N 3.25Å
536	K	44.9	Very low	46.7	Very low	202 Å²	202	106.6 Å²	106.6	88%	0.878	63%	0.627	S	S	*	*			trans	-143.8	85.5	175.4	-152.8	168.5	-170.5	175.6	0	112	A534	A534-K536 VanDerWaalsContact C-N 3.34Å; A534-K536 PolarHBondContact O-N 3.41Å
537	G	45.4	Very low	45.9	Very low	74 Å²	74	107.3 Å²	107.3	76%	0.763	64%	0.636	S	S	*	*			trans	75.7	105.7	163.6	0	0	0	0	0	117.3
538	R	43.1	Very low	45.1	Very low	222 Å²	222	108.6 Å²	108.6	84%	0.838	65%	0.654	S	S	*	*			trans	-132	94	141.2	-82.4	-164.2	178	-112.4	2.2	109.4
539	G	36.3	Very low	44.3	Very low	70 Å²	70	111.2 Å²	111.2	72%	0.722	68%	0.681	S	S	*	*			trans	-69.6	156.4	155.2	0	0	0	0	0	109.9
540	R	37.5	Very low	43.7	Very low	201 Å²	201	114.1 Å²	114.1	76%	0.758	70%	0.701	S	S	*	*			trans	37.3	89.1	159.5	-163.9	177	-173.1	-152.2	-7.8	116.6	D542	R540-D542 IonicContact CZ-OD1 3.23Å; R540-D542 VanDerWaalsContact CZ-OD1 3.23Å; R540-D542 IonicContact CZ-OD2 3.08Å; R540-D542 IonicContact NE-OD1 2.82Å; R540-D542 PolarHBondContact NE-OD1 2.82Å; R540-D542 IonicContact NE-OD2 2.9Å; R540-D542 PolarHBondContact NE-OD2 3.32Å; R540-D542 IonicContact NH1-OD2 3.99Å; R540-D542 IonicContact NH2-OD1 2.81Å; R540-D542 PolarHBondContact NH2-OD1 2.77Å; R540-D542 IonicContact NH2-OD2 3.01Å; R540-D542 PolarHBondContact NH2-OD2 3.06Å
541	L	36.9	Very low	42.6	Very low	143 Å²	143	115.9 Å²	115.9	75%	0.749	72%	0.72	S	S	*	*			trans	-91.2	115.8	139	-67.9	177.3	0	0	0	106.6
542	D	28.5	Very low	41.6	Very low	95 Å²	95	115 Å²	115	51%	0.508	73%	0.733	S	S	.	*			trans	-65.9	150.7	172	-72.7	-68.1	0	0	0	110.7	R540 G544	R540-D542 IonicContact CZ-OD1 3.23Å; R540-D542 VanDerWaalsContact CZ-OD1 3.23Å; R540-D542 IonicContact CZ-OD2 3.08Å; R540-D542 IonicContact NE-OD1 2.82Å; R540-D542 PolarHBondContact NE-OD1 2.82Å; R540-D542 IonicContact NE-OD2 2.9Å; R540-D542 PolarHBondContact NE-OD2 3.32Å; R540-D542 IonicContact NH1-OD2 3.99Å; R540-D542 IonicContact NH2-OD1 2.81Å; R540-D542 PolarHBondContact NH2-OD1 2.77Å; R540-D542 IonicContact NH2-OD2 3.01Å; R540-D542 PolarHBondContact NH2-OD2 3.06Å; D542-G544 PolarHBondContact O-N 3.38Å
543	S	38.8	Very low	40.6	Very low	141 Å²	141	117.8 Å²	117.8	99%	0.986	76%	0.763	S	S	*	*	S	Bend	trans	-75.2	65	171.8	-59.8	0	0	0	0	110.3
544	G	41.8	Very low	39.6	Very low	57 Å²	57	117.9 Å²	117.9	59%	0.588	77%	0.771	S	S	*	*			trans	-147.5	6.1	-164.7	0	0	0	0	0	117.2	D542	D542-G544 PolarHBondContact O-N 3.38Å
545	T	40	Very low	38.5	Very low	139 Å²	139	117.6 Å²	117.6	85%	0.853	78%	0.776	S	S	*	*			trans	-155.6	107.5	169.3	-23.6	0	0	0	0	111.8
546	L	39	Very low	37.4	Very low	147 Å²	147	120.9 Å²	120.9	77%	0.77	78%	0.782	S	S	*	*			trans	-123.1	140.4	167.3	-74.3	175	0	0	0	108.7
547	P	36	Very low	36.7	Very low	99 Å²	99	115.2 Å²	115.2	64%	0.643	78%	0.78	S	S	*	*			trans	-66.9	144	170.7	28.9	-33.6	0	0	0	110.4	A549	P547-A549 VanDerWaalsContact C-N 3.32Å; P547-A549 PolarHBondContact O-N 3.25Å
548	P	39.4	Very low	36.3	Very low	138 Å²	138	115.9 Å²	115.9	90%	0.896	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	73.8	-171.3	32.7	-36.9	0	0	0	112.4
549	A	39.2	Very low	36.1	Very low	88 Å²	88	109.4 Å²	109.4	73%	0.727	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.8	-6.7	-179.2	0	0	0	0	0	115.5	P547	P547-A549 VanDerWaalsContact C-N 3.32Å; P547-A549 PolarHBondContact O-N 3.25Å
550	V	41.4	Very low	35.9	Very low	114 Å²	114	110.1 Å²	110.1	69%	0.691	80%	0.797	S	S	*	*	S	Bend	trans	-129.5	11.8	-172.7	-62.2	0	0	0	0	114.8	A552	V550-A552 PolarHBondContact O-N 3.31Å
551	A	34.1	Very low	36	Very low	109 Å²	109	104.4 Å²	104.4	90%	0.901	80%	0.8	S	S	*	*	S	Bend	trans	-77.8	7.3	-175.7	0	0	0	0	0	115.1
552	A	35.2	Very low	36	Very low	102 Å²	102	103.8 Å²	103.8	84%	0.843	81%	0.808	S	S	*	*	S	Bend	trans	-131.1	46.3	-168.3	0	0	0	0	0	113.7	V550	V550-A552 PolarHBondContact O-N 3.31Å
553	A	33.2	Very low	36.3	Very low	100 Å²	100	103.1 Å²	103.1	83%	0.826	82%	0.824	S	S	*	*			trans	-150.1	52.5	175.1	0	0	0	0	0	112.7
554	G	30.3	Very low	35.9	Very low	83 Å²	83	100.3 Å²	100.3	86%	0.856	82%	0.817	S	S	*	*			trans	-110.7	127	179.4	0	0	0	0	0	113.3
555	G	31.2	Very low	35.7	Very low	72 Å²	72	104.1 Å²	104.1	74%	0.742	84%	0.835	S	S	*	*			trans	109.2	144.3	179.6	0	0	0	0	0	113.1
556	T	32.2	Very low	35.5	Very low	143 Å²	143	100.9 Å²	100.9	88%	0.877	83%	0.829	S	S	*	*			cis	-151.4	144.1	5	50.9	0	0	0	0	112.4
557	G	31.9	Very low	35.6	Very low	82 Å²	82	99 Å²	99	85%	0.845	83%	0.834	S	S	*	*			trans	80.9	135.1	167.8	0	0	0	0	0	115.8
558	G	37.2	Very low	36	Very low	89 Å²	89	98 Å²	98	92%	0.918	84%	0.843	S	S	*	*			cis	99.3	135.8	6	0	0	0	0	0	112.2
559	G	37.9	Very low	36.3	Very low	86 Å²	86	100.6 Å²	100.6	89%	0.887	84%	0.84	S	S	*	*			cis	-154.5	-168.2	-6.9	0	0	0	0	0	108.1
560	G	32.8	Very low	36.8	Very low	85 Å²	85	102.1 Å²	102.1	88%	0.876	84%	0.842	S	S	*	*			cis	-165.8	-160.7	-1.2	0	0	0	0	0	107.9
561	G	38.6	Very low	37.5	Very low	80 Å²	80	106.2 Å²	106.2	83%	0.825	85%	0.851	S	S	*	*			cis	161.1	103.5	-7	0	0	0	0	0	113.8
562	S	37.9	Very low	38.9	Very low	130 Å²	130	107.1 Å²	107.1	91%	0.909	85%	0.845	S	S	*	*			trans	-166.8	151.1	159.6	56.7	0	0	0	0	108.7
563	G	33.7	Very low	40.7	Very low	82 Å²	82	103.5 Å²	103.5	85%	0.845	82%	0.818	S	S	*	*			cis	167.4	106.7	-11.1	0	0	0	0	0	109.6
564	G	30.2	Very low	42.8	Very low	81 Å²	81	102.2 Å²	102.2	84%	0.835	79%	0.794	S	S	*	*			trans	167.3	122.4	-178.6	0	0	0	0	0	113.7
565	S	39.2	Very low	45	Very low	138 Å²	138	102.5 Å²	102.5	97%	0.965	78%	0.776	S	S	*	*			trans	-87.5	130.7	-177.1	-59.8	0	0	0	0	111.8
566	G	35	Very low	47.2	Very low	71 Å²	71	99.1 Å²	99.1	73%	0.732	74%	0.741	S	S	*	*			trans	-162	144	175	0	0	0	0	0	111.4
567	A	40.8	Very low	49.1	Very low	106 Å²	106	98 Å²	98	88%	0.876	73%	0.729	S	S	*	*			trans	-60.9	138.4	-172.8	0	0	0	0	0	112.6	K569	A567-K569 PolarHBondContact O-N 3.37Å; A567-K569 VanDerWaalsContact O-N 3.14Å
568	G	45.4	Very low	50.9	Low	80 Å²	80	98.6 Å²	98.6	83%	0.825	71%	0.706	S	S	*	*			trans	-70.6	106.1	-165.2	0	0	0	0	0	114.9
569	K	46.1	Very low	52.7	Low	191 Å²	191	97 Å²	97	83%	0.83	68%	0.68	S	S	*	*			trans	-81.5	131.4	150.1	-64.8	178.4	-178.3	176.1	0	108.1	A567 K571	A567-K569 PolarHBondContact O-N 3.37Å; A567-K569 VanDerWaalsContact O-N 3.14Å; K569-K571 PolarHBondContact O-N 2.96Å
570	P	49.1	Very low	54.4	Low	120 Å²	120	95.4 Å²	95.4	78%	0.779	66%	0.664	S	S	*	*			trans	-64.9	119.4	179.8	25.9	-33.3	0	0	0	110.1	T572	P570-T572 PolarHBondContact O-N 2.65Å
571	K	55.3	Low	56.4	Low	200 Å²	200	97 Å²	97	87%	0.87	65%	0.647	S	S	*	*			trans	-69.8	102.8	179.2	-72.2	-177.2	177.3	178.3	0	109.7	K569 G573	K569-K571 PolarHBondContact O-N 2.96Å; K571-G573 VanDerWaalsContact C-N 3.25Å; K571-G573 PolarHBondContact O-N 2.86Å
572	T	63	Low	58.1	Low	129 Å²	129	98.4 Å²	98.4	79%	0.791	64%	0.635	S	S	*	*			trans	-68.8	75.4	178	43.5	0	0	0	0	111.7	P570	P570-T572 PolarHBondContact O-N 2.65Å
573	G	74.8	Confident	60.1	Low	25 Å²	25	95 Å²	95	26%	0.258	60%	0.603	S	S	.	*			trans	-79.6	156	175.6	0	0	0	0	0	113.3	K571 L582 Y583	K571-G573 VanDerWaalsContact C-N 3.25Å; K571-G573 PolarHBondContact O-N 2.86Å; G573-L582 VanDerWaalsContact C-CD1 3.49Å; G573-Y583 CarbonylContact C-O 3.22Å; G573-Y583 WeakPolarHBondContact CA-O 3.45Å
574	H	75.6	Confident	62.2	Low	73 Å²	73	96.3 Å²	96.3	34%	0.338	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.7	115.1	174.5	-58.5	-85.1	0	0	0	110	Y583 K586 L589	H574-Y583 PolarHBondContact N-O 2.77Å; H574-Y583 PolarHBondContact O-N 3.47Å; H574-K586 VanDerWaalsContact CD2-CA 3.47Å; H574-K586 WeakPolarHBondContact CD2-CA 3.5Å; H574-K586 PolarHBondContact CD2-N 3.1Å; H574-K586 PolarHBondContact NE2-N 3Å; H574-L589 HydrophobicContact CB-CB 4.05Å; H574-L589 HydrophobicContact CB-CD2 3.71Å
575	L	77.7	Confident	64.4	Low	89 Å²	89	99 Å²	99	47%	0.466	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.9	133.2	-175.9	-173.6	66.5	0	0	0	112.1	L577 G580 L582 L589	L575-L577 HydrophobicContact CD2-CD2 4.34Å; L575-L577 PolarHBondContact O-N 2.76Å; L575-G580 WeakPolarHBondContact CD1-O 3.11Å; L575-L582 HydrophobicContact CB-CD1 4.18Å; L575-L582 HydrophobicContact CD1-CD1 4.27Å; L575-L589 WeakPolarHBondContact O-CD2 3.31Å
576	C	76.3	Confident	66	Low	1 Å²	1	96.9 Å²	96.9	1%	0.007	56%	0.557	C	S	.	*			trans	-80.7	111.9	165.9	-178.5	0	0	0	0	110.5	Y578 C579 G580 K581 Y583 L589 H592 H596	C576-Y578 PolarHBondContact O-N 2.92Å; C576-C579 PolarHBondContact O-N 3.43Å; C576-G580 WeakPolarHBondContact O-CA 3.41Å; C576-G580 PolarHBondContact O-N 3.39Å; C576-K581 HydrophobicContact CB-CB 4.39Å; C576-K581 WeakPolarHBondContact CB-O 3.42Å; C576-K581 PolarHBondContact N-O 2.77Å; C576-Y583 HydrophobicContact CB-CE2 4.43Å; C576-L589 HydrophobicContact CB-CD1 3.59Å; C576-H592 VanDerWaalsContact SG-CD2 3.58Å; C576-H592 PolarHBondContact SG-NE2 3.44Å; C576-H592 VanDerWaalsContact SG-NE2 3.44Å; C576-H596 PolarHBondContact SG-NE2 2.85Å; C576-H596 VanDerWaalsContact SG-NE2 3.38Å
577	L	73.8	Confident	67.8	Low	120 Å²	120	99 Å²	99	63%	0.628	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-20.4	179.1	-58.5	-180	0	0	0	113.6	L575	L575-L577 HydrophobicContact CD2-CD2 4.34Å; L575-L577 PolarHBondContact O-N 2.76Å
578	Y	68.3	Low	69.4	Low	95 Å²	95	94.9 Å²	94.9	37%	0.373	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-20	-178.5	-73.9	-100.9	0	0	0	114	C576 M593	C576-Y578 PolarHBondContact O-N 2.92Å; Y578-M593 HydrophobicContact CD2-CE 3.28Å; Y578-M593 HydrophobicContact CD2-SD 4.13Å; Y578-M593 HydrophobicContact CE2-CE 3.55Å; Y578-M593 HydrophobicContact CG-CE 3.97Å
579	C	74.5	Confident	70.9	Confident	54 Å²	54	92 Å²	92	37%	0.365	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.2	20.6	179.3	75.6	0	0	0	0	115.3	C576 K581 H592	C576-C579 PolarHBondContact O-N 3.43Å; C579-K581 PolarHBondContact O-N 3.1Å; C579-H592 PolarHBondContact SG-NE2 3.19Å
580	G	74.4	Confident	72.1	Confident	54 Å²	54	86.1 Å²	86.1	56%	0.557	45%	0.452	S	S	*	.			trans	66.9	3.7	175	0	0	0	0	0	116.7	L575 C576 L582	L575-G580 WeakPolarHBondContact CD1-O 3.11Å; C576-G580 WeakPolarHBondContact O-CA 3.41Å; C576-G580 PolarHBondContact O-N 3.39Å; G580-L582 PolarHBondContact O-N 2.98Å
581	K	74.6	Confident	73.2	Confident	119 Å²	119	82.1 Å²	82.1	52%	0.517	42%	0.423	S	S	.	.			trans	-76	124.6	-175.5	-72.6	179	-175	174.6	0	111.6	C576 C579 Y583	C576-K581 HydrophobicContact CB-CB 4.39Å; C576-K581 WeakPolarHBondContact CB-O 3.42Å; C576-K581 PolarHBondContact N-O 2.77Å; C579-K581 PolarHBondContact O-N 3.1Å; K581-Y583 HydrophobicContact CB-CE2 3.59Å; K581-Y583 WeakPolarHBondContact O-CD2 3.31Å; K581-Y583 WeakPolarHBondContact O-CE2 3.31Å
582	L	75.3	Confident	74.2	Confident	109 Å²	109	73.4 Å²	73.4	57%	0.571	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	129.4	179.5	-167.6	72.5	0	0	0	111	G573 L575 G580	G573-L582 VanDerWaalsContact C-CD1 3.49Å; L575-L582 HydrophobicContact CB-CD1 4.18Å; L575-L582 HydrophobicContact CD1-CD1 4.27Å; G580-L582 PolarHBondContact O-N 2.98Å
583	Y	80.3	Confident	74.4	Confident	59 Å²	59	67.6 Å²	67.6	23%	0.231	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.4	179.6	-68.9	-89.6	0	0	0	111.2	G573 H574 C576 K581 R585 L589 H592	G573-Y583 CarbonylContact C-O 3.22Å; G573-Y583 WeakPolarHBondContact CA-O 3.45Å; H574-Y583 PolarHBondContact N-O 2.77Å; H574-Y583 PolarHBondContact O-N 3.47Å; C576-Y583 HydrophobicContact CB-CE2 4.43Å; K581-Y583 HydrophobicContact CB-CE2 3.59Å; K581-Y583 WeakPolarHBondContact O-CD2 3.31Å; K581-Y583 WeakPolarHBondContact O-CE2 3.31Å; Y583-R585 PolarHBondContact O-N 3.47Å; Y583-L589 HydrophobicContact CD2-CB 4.17Å; Y583-L589 HydrophobicContact CD2-CD1 4.08Å; Y583-L589 HydrophobicContact CE2-CD1 4.47Å; Y583-L589 HydrophobicContact CG-CB 4.31Å; Y583-H592 HydrophobicContact CE1-CB 4.11Å; Y583-H592 HydrophobicContact CE2-CB 3.89Å; Y583-H592 AromaticContact CE2-CD2 3.33Å; Y583-H592 WeakPolarHBondContact CE2-CD2 3.33Å; Y583-H592 AromaticContact CE2-CG 3.75Å; Y583-H592 AromaticContact CZ-CD2 3.59Å; Y583-H592 AromaticContact CZ-CG 3.55Å; Y583-H592 PolarHBondContact OH-CD2 2.74Å; Y583-H592 VanDerWaalsContact OH-CD2 3.29Å
584	S	77.6	Confident	74.2	Confident	109 Å²	109	68.6 Å²	68.6	76%	0.762	35%	0.346	S	S	*	.	S	Bend	trans	-63	-21.9	178.1	55.2	0	0	0	0	114.1
585	R	75.5	Confident	73.9	Confident	138 Å²	138	69.8 Å²	69.8	52%	0.521	36%	0.358	S	S	.	.	S	Bend	trans	-129.4	133.2	179.8	-66.7	-169.1	-94.9	-146.1	-6.2	111.3	Y583 Y587 G588 L589 D693	Y583-R585 PolarHBondContact O-N 3.47Å; R585-Y587 PolarHBondContact O-N 3.19Å; R585-Y587 VanDerWaalsContact O-N 3.12Å; R585-G588 WeakPolarHBondContact O-CA 3.39Å; R585-G588 PolarHBondContact O-N 3.12Å; R585-L589 PolarHBondContact O-N 3.44Å; R585-D693 IonicContact CZ-OD1 3.73Å; R585-D693 IonicContact CZ-OD2 3.86Å; R585-D693 VanDerWaalsContact CZ-OD2 3.26Å; R585-D693 IonicContact NH1-OD1 2.75Å; R585-D693 PolarHBondContact NH1-OD1 3.32Å; R585-D693 IonicContact NH1-OD2 3.1Å; R585-D693 PolarHBondContact NH1-OD2 3.5Å; R585-D693 IonicContact NH2-OD1 2.74Å; R585-D693 IonicContact NH2-OD2 3.37Å; R585-D693 PolarHBondContact NH2-OD2 3.02Å
586	K	73.5	Confident	73.4	Confident	93 Å²	93	68.7 Å²	68.7	40%	0.404	35%	0.35	S	S	.	.	H	α-helix	trans	-44.6	-40.4	175.1	-168.4	176.1	-179	179.2	0	113.8	M532 H574 L589 K590	M532-K586 HydrophobicContact CG-CD 4.46Å; M532-K586 VanDerWaalsContact CG-CE 3.49Å; M532-K586 HydrophobicContact CG-CG 4.27Å; M532-K586 WeakPolarHBondContact O-CE 3.42Å; M532-K586 PolarHBondContact O-NZ 3.48Å; M532-K586 HydrophobicContact SD-CD 4.38Å; M532-K586 HydrophobicContact SD-CG 3.67Å; H574-K586 VanDerWaalsContact CD2-CA 3.47Å; H574-K586 WeakPolarHBondContact CD2-CA 3.5Å; H574-K586 PolarHBondContact CD2-N 3.1Å; H574-K586 PolarHBondContact NE2-N 3Å; K586-L589 PolarHBondContact O-N 3.08Å; K586-K590 PolarHBondContact O-N 2.8Å; K586-K590 VanDerWaalsContact O-N 3.08Å
587	Y	72.3	Confident	72.7	Confident	115 Å²	115	70.9 Å²	70.9	45%	0.451	36%	0.364	S	S	.	.	H	α-helix	trans	-64.9	-37.2	176	176.8	-108	0	0	0	113.2	R585 K590 I591 P614	R585-Y587 PolarHBondContact O-N 3.19Å; R585-Y587 VanDerWaalsContact O-N 3.12Å; Y587-K590 PolarHBondContact O-N 2.88Å; Y587-I591 HydrophobicContact CD1-CD1 4.1Å; Y587-I591 HydrophobicContact CE1-CD1 3.46Å; Y587-I591 VanDerWaalsContact CE1-CD1 3.46Å; Y587-I591 HydrophobicContact CE1-CG1 4.44Å; Y587-I591 HydrophobicContact CE2-CD1 4.22Å; Y587-I591 PolarHBondContact O-N 3.08Å; Y587-P614 WeakPolarHBondContact OH-CD 3.41Å; Y587-P614 WeakPolarHBondContact OH-CG 3.39Å
588	G	73.6	Confident	72	Confident	19 Å²	19	67 Å²	67	20%	0.196	35%	0.353	C	S	.	.	H	α-helix	trans	-64.6	-42.4	175.9	0	0	0	0	0	112.6	R585 I591 H592	R585-G588 WeakPolarHBondContact O-CA 3.39Å; R585-G588 PolarHBondContact O-N 3.12Å; G588-I591 PolarHBondContact O-N 3.43Å; G588-H592 WeakPolarHBondContact O-CB 3.45Å; G588-H592 PolarHBondContact O-N 3.31Å
589	L	77.7	Confident	71.4	Confident	21 Å²	21	69.1 Å²	69.1	11%	0.11	36%	0.361	C	S	.	.	H	α-helix	trans	-63.4	-44.6	171.7	177.5	60.3	0	0	0	111.3	H574 L575 C576 Y583 R585 K586 I591 H592 M593	H574-L589 HydrophobicContact CB-CB 4.05Å; H574-L589 HydrophobicContact CB-CD2 3.71Å; L575-L589 WeakPolarHBondContact O-CD2 3.31Å; C576-L589 HydrophobicContact CB-CD1 3.59Å; Y583-L589 HydrophobicContact CD2-CB 4.17Å; Y583-L589 HydrophobicContact CD2-CD1 4.08Å; Y583-L589 HydrophobicContact CE2-CD1 4.47Å; Y583-L589 HydrophobicContact CG-CB 4.31Å; R585-L589 PolarHBondContact O-N 3.44Å; K586-L589 PolarHBondContact O-N 3.08Å; L589-I591 VanDerWaalsContact C-N 3.28Å; L589-I591 PolarHBondContact O-N 2.96Å; L589-H592 PolarHBondContact O-N 3.08Å; L589-H592 VanDerWaalsContact O-N 3.09Å; L589-M593 HydrophobicContact CD1-CG 4.1Å; L589-M593 HydrophobicContact CD1-SD 4.16Å; L589-M593 HydrophobicContact CG-CG 4.4Å; L589-M593 WeakPolarHBondContact O-CG 3.32Å; L589-M593 PolarHBondContact O-N 3.01Å
590	K	71.9	Confident	71.1	Confident	66 Å²	66	71.9 Å²	71.9	29%	0.287	37%	0.367	S	S	.	.	H	α-helix	trans	-61.4	-34.8	178.2	-174.5	175.9	-65.3	-164.5	0	112.9	L529 K586 Y587	L529-K590 HydrophobicContact CD2-CD 4.2Å; L529-K590 VanDerWaalsContact CD2-NZ 3.28Å; K586-K590 PolarHBondContact O-N 2.8Å; K586-K590 VanDerWaalsContact O-N 3.08Å; Y587-K590 PolarHBondContact O-N 2.88Å
591	I	71.7	Confident	70.6	Confident	37 Å²	37	72 Å²	72	19%	0.19	36%	0.358	C	S	.	.	H	α-helix	trans	-65	-53.3	168.5	-86.1	178.1	0	0	0	110.4	Y587 G588 L589 M593 R594 D613	Y587-I591 HydrophobicContact CD1-CD1 4.1Å; Y587-I591 HydrophobicContact CE1-CD1 3.46Å; Y587-I591 VanDerWaalsContact CE1-CD1 3.46Å; Y587-I591 HydrophobicContact CE1-CG1 4.44Å; Y587-I591 HydrophobicContact CE2-CD1 4.22Å; Y587-I591 PolarHBondContact O-N 3.08Å; G588-I591 PolarHBondContact O-N 3.43Å; L589-I591 VanDerWaalsContact C-N 3.28Å; L589-I591 PolarHBondContact O-N 2.96Å; I591-M593 VanDerWaalsContact C-N 3.28Å; I591-M593 PolarHBondContact O-N 2.73Å; I591-R594 VanDerWaalsContact O-CB 3.31Å; I591-R594 WeakPolarHBondContact O-CB 3.49Å; I591-R594 PolarHBondContact O-N 3.25Å; I591-D613 HydrophobicContact CD1-CB 4.08Å; I591-D613 HydrophobicContact CG1-CB 4.39Å; I591-D613 WeakPolarHBondContact CG1-OD1 3.4Å; I591-D613 VanDerWaalsContact CG2-OD1 3.31Å; I591-D613 WeakPolarHBondContact CG2-OD1 3.3Å
592	H	75.5	Confident	70	Confident	16 Å²	16	68.9 Å²	68.9	7%	0.074	35%	0.347	C	S	.	.	H	α-helix	trans	-61.3	-35	-175.1	174.7	43.8	0	0	0	112.9	C576 C579 Y583 G588 L589 R594 T595 H596	C576-H592 VanDerWaalsContact SG-CD2 3.58Å; C576-H592 PolarHBondContact SG-NE2 3.44Å; C576-H592 VanDerWaalsContact SG-NE2 3.44Å; C579-H592 PolarHBondContact SG-NE2 3.19Å; Y583-H592 HydrophobicContact CE1-CB 4.11Å; Y583-H592 HydrophobicContact CE2-CB 3.89Å; Y583-H592 AromaticContact CE2-CD2 3.33Å; Y583-H592 WeakPolarHBondContact CE2-CD2 3.33Å; Y583-H592 AromaticContact CE2-CG 3.75Å; Y583-H592 AromaticContact CZ-CD2 3.59Å; Y583-H592 AromaticContact CZ-CG 3.55Å; Y583-H592 PolarHBondContact OH-CD2 2.74Å; Y583-H592 VanDerWaalsContact OH-CD2 3.29Å; G588-H592 WeakPolarHBondContact O-CB 3.45Å; G588-H592 PolarHBondContact O-N 3.31Å; L589-H592 PolarHBondContact O-N 3.08Å; L589-H592 VanDerWaalsContact O-N 3.09Å; H592-R594 PolarHBondContact O-N 3.14Å; H592-R594 VanDerWaalsContact O-N 3.1Å; H592-T595 PolarHBondContact CE1-OG1 3.42Å; H592-T595 VanDerWaalsContact CE1-OG1 3.31Å; H592-T595 PolarHBondContact ND1-OG1 3.19Å; H592-T595 WeakPolarHBondContact O-CB 3.3Å; H592-T595 PolarHBondContact O-N 3.02Å; H592-T595 PolarHBondContact O-OG1 2.86Å; H592-H596 AromaticContact CD2-NE2 3.98Å; H592-H596 AromaticContact CE1-CD2 3.98Å; H592-H596 AromaticContact CE1-CE1 3.9Å; H592-H596 AromaticContact CE1-NE2 3.25Å; H592-H596 PolarHBondContact CE1-NE2 3.44Å; H592-H596 AromaticContact NE2-CD2 3.91Å; H592-H596 AromaticContact NE2-CE1 3.97Å; H592-H596 AromaticContact NE2-NE2 3.06Å; H592-H596 PolarHBondContact NE2-NE2 3.28Å
593	M	68.6	Low	69.6	Low	7 Å²	7	70.3 Å²	70.3	3%	0.034	35%	0.348	C	S	.	.	H	α-helix	trans	-59.2	-24.1	175.7	-72.9	-45.5	-49.5	0	0	114	Y578 L589 I591 T595 H596 T597	Y578-M593 HydrophobicContact CD2-CE 3.28Å; Y578-M593 HydrophobicContact CD2-SD 4.13Å; Y578-M593 HydrophobicContact CE2-CE 3.55Å; Y578-M593 HydrophobicContact CG-CE 3.97Å; L589-M593 HydrophobicContact CD1-CG 4.1Å; L589-M593 HydrophobicContact CD1-SD 4.16Å; L589-M593 HydrophobicContact CG-CG 4.4Å; L589-M593 WeakPolarHBondContact O-CG 3.32Å; L589-M593 PolarHBondContact O-N 3.01Å; I591-M593 VanDerWaalsContact C-N 3.28Å; I591-M593 PolarHBondContact O-N 2.73Å; M593-T595 PolarHBondContact O-N 3.05Å; M593-H596 HydrophobicContact CE-CB 4.22Å; M593-H596 PolarHBondContact O-N 2.8Å; M593-T597 PolarHBondContact O-N 3.49Å; M593-T597 PolarHBondContact O-OG1 3.34Å
594	R	70.4	Confident	68.9	Low	47 Å²	47	67.5 Å²	67.5	18%	0.177	34%	0.337	C	S	.	.	H	α-helix	trans	-72.7	-12.9	173.1	-60.1	176.7	-174.4	138	5.8	113.9	I591 H592 G598 Y599 G612	I591-R594 VanDerWaalsContact O-CB 3.31Å; I591-R594 WeakPolarHBondContact O-CB 3.49Å; I591-R594 PolarHBondContact O-N 3.25Å; H592-R594 PolarHBondContact O-N 3.14Å; H592-R594 VanDerWaalsContact O-N 3.1Å; R594-G598 CarbonylContact O-C 3.57Å; R594-G598 WeakPolarHBondContact O-CA 3.4Å; R594-G598 PolarHBondContact O-N 3.43Å; R594-Y599 WeakPolarHBondContact CB-O 3.28Å; R594-Y599 PolarHBondContact O-N 2.86Å; R594-G612 WeakPolarHBondContact CD-O 3.29Å; R594-G612 PolarHBondContact NH1-O 3.09Å
595	T	68.8	Low	68.1	Low	97 Å²	97	71.9 Å²	71.9	60%	0.595	34%	0.342	S	S	*	.	H	α-helix	trans	-82.6	-21.2	173.4	67.1	0	0	0	0	112.8	H592 M593	H592-T595 PolarHBondContact CE1-OG1 3.42Å; H592-T595 VanDerWaalsContact CE1-OG1 3.31Å; H592-T595 PolarHBondContact ND1-OG1 3.19Å; H592-T595 WeakPolarHBondContact O-CB 3.3Å; H592-T595 PolarHBondContact O-N 3.02Å; H592-T595 PolarHBondContact O-OG1 2.86Å; M593-T595 PolarHBondContact O-N 3.05Å
596	H	66.8	Low	67.1	Low	66 Å²	66	69.9 Å²	69.9	31%	0.306	35%	0.346	S	S	.	.	H	α-helix	trans	-83.5	-55.9	172.6	-62.9	-64.1	0	0	0	110.8	C576 H592 M593 G598	C576-H596 PolarHBondContact SG-NE2 2.85Å; C576-H596 VanDerWaalsContact SG-NE2 3.38Å; H592-H596 AromaticContact CD2-NE2 3.98Å; H592-H596 AromaticContact CE1-CD2 3.98Å; H592-H596 AromaticContact CE1-CE1 3.9Å; H592-H596 AromaticContact CE1-NE2 3.25Å; H592-H596 PolarHBondContact CE1-NE2 3.44Å; H592-H596 AromaticContact NE2-CD2 3.91Å; H592-H596 AromaticContact NE2-CE1 3.97Å; H592-H596 AromaticContact NE2-NE2 3.06Å; H592-H596 PolarHBondContact NE2-NE2 3.28Å; M593-H596 HydrophobicContact CE-CB 4.22Å; M593-H596 PolarHBondContact O-N 2.8Å; H596-G598 PolarHBondContact O-N 3.02Å; H596-G598 VanDerWaalsContact O-N 3.14Å
597	T	61.8	Low	66.3	Low	48 Å²	48	68.3 Å²	68.3	29%	0.294	35%	0.345	S	S	.	.	S	Bend	trans	-69.9	-9.6	179.8	59	0	0	0	0	114.4	E521 M593 Y599	E521-T597 HydrophobicContact CG-CG2 4.11Å; E521-T597 VanDerWaalsContact OE1-CG2 3.28Å; E521-T597 WeakPolarHBondContact OE1-CG2 3.27Å; M593-T597 PolarHBondContact O-N 3.49Å; M593-T597 PolarHBondContact O-OG1 3.34Å; T597-Y599 PolarHBondContact O-N 2.86Å; T597-Y599 WeakPolarHBondContact OG1-CB 3.25Å; T597-Y599 PolarHBondContact OG1-N 3.38Å
598	G	60	Low	65.7	Low	38 Å²	38	68.8 Å²	68.8	39%	0.392	36%	0.355	S	S	.	.			trans	63.2	1.1	-170.6	0	0	0	0	0	115.4	R594 H596 K600	R594-G598 CarbonylContact O-C 3.57Å; R594-G598 WeakPolarHBondContact O-CA 3.4Å; R594-G598 PolarHBondContact O-N 3.43Å; H596-G598 PolarHBondContact O-N 3.02Å; H596-G598 VanDerWaalsContact O-N 3.14Å; G598-K600 WeakPolarHBondContact O-CG 3.36Å; G598-K600 PolarHBondContact O-N 2.71Å
599	Y	54.3	Low	65.1	Low	140 Å²	140	76 Å²	76	55%	0.549	38%	0.376	S	S	.	.			trans	-70.8	116.5	-167.2	-177	-112.6	0	0	0	112.7	R594 T597 P601	R594-Y599 WeakPolarHBondContact CB-O 3.28Å; R594-Y599 PolarHBondContact O-N 2.86Å; T597-Y599 PolarHBondContact O-N 2.86Å; T597-Y599 WeakPolarHBondContact OG1-CB 3.25Å; T597-Y599 PolarHBondContact OG1-N 3.38Å; Y599-P601 HydrophobicContact CD1-CB 4.47Å; Y599-P601 HydrophobicContact CD1-CG 4.12Å; Y599-P601 HydrophobicContact CE1-CB 3.75Å; Y599-P601 HydrophobicContact CE1-CG 3.78Å; Y599-P601 VanDerWaalsContact O-CD 3.27Å; Y599-P601 WeakPolarHBondContact O-CD 3.33Å
600	K	69.3	Low	64.2	Low	112 Å²	112	78 Å²	78	49%	0.487	39%	0.391	S	S	.	.			trans	-120.2	79.7	-173.2	-70	156.9	-169.4	160.4	0	110.7	G598 L602 P610 F611	G598-K600 WeakPolarHBondContact O-CG 3.36Å; G598-K600 PolarHBondContact O-N 2.71Å; K600-L602 PolarHBondContact O-N 3.03Å; K600-P610 HydrophobicContact CB-CB 3.81Å; K600-P610 HydrophobicContact CD-CB 4.43Å; K600-P610 HydrophobicContact CD-CG 4.45Å; K600-F611 CarbonylContact C-O 3.49Å; K600-F611 VanDerWaalsContact CA-O 3.31Å; K600-F611 WeakPolarHBondContact CA-O 3.24Å; K600-F611 WeakPolarHBondContact CB-O 3.29Å
601	P	62.5	Low	64.1	Low	57 Å²	57	76.8 Å²	76.8	37%	0.37	39%	0.386	S	S	.	.			trans	-70.9	-14	-174.2	26.3	-32.3	0	0	0	113.9	Y599	Y599-P601 HydrophobicContact CD1-CB 4.47Å; Y599-P601 HydrophobicContact CD1-CG 4.12Å; Y599-P601 HydrophobicContact CE1-CB 3.75Å; Y599-P601 HydrophobicContact CE1-CG 3.78Å; Y599-P601 VanDerWaalsContact O-CD 3.27Å; Y599-P601 WeakPolarHBondContact O-CD 3.33Å
602	L	63.2	Low	63.8	Low	53 Å²	53	75.7 Å²	75.7	28%	0.277	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	103.7	-170.5	-61.9	175.1	0	0	0	110.8	K600 F611 D613 P614 L617	K600-L602 PolarHBondContact O-N 3.03Å; L602-F611 PolarHBondContact N-O 3.35Å; L602-F611 PolarHBondContact O-N 3.29Å; L602-D613 VanDerWaalsContact CD1-C 3.49Å; L602-P614 HydrophobicContact CD1-CB 3.87Å; L602-P614 HydrophobicContact CD1-CG 4.34Å; L602-P614 VanDerWaalsContact CD1-N 3.28Å; L602-L617 HydrophobicContact CB-CD2 3.92Å
603	K	67.1	Low	63.7	Low	139 Å²	139	76.1 Å²	76.1	60%	0.604	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	144	176.3	-62.5	179.2	-175.3	176	0	111.1	P610	K603-P610 HydrophobicContact CG-CB 4.39Å
604	C	64.6	Low	63.7	Low	0 Å²	0	78.5 Å²	78.5	0%	0	40%	0.402	C	S	.	.			trans	-70.5	127.3	169	-178.6	0	0	0	0	110.9	V606 L608 R609 F611 L617 H620 H624	C604-V606 PolarHBondContact O-N 2.86Å; C604-V606 PolarHBondContact SG-N 2.77Å; C604-V606 VanDerWaalsContact SG-N 3.39Å; C604-L608 WeakPolarHBondContact O-CA 3.22Å; C604-L608 PolarHBondContact O-N 3.25Å; C604-R609 PolarHBondContact N-O 3.44Å; C604-F611 HydrophobicContact CB-CE2 4.25Å; C604-L617 HydrophobicContact CB-CD1 3.98Å; C604-H620 WeakPolarHBondContact CB-NE2 3.31Å; C604-H620 VanDerWaalsContact SG-CD2 3.58Å; C604-H620 PolarHBondContact SG-NE2 2.64Å; C604-H620 VanDerWaalsContact SG-NE2 3.35Å; C604-H624 PolarHBondContact SG-NE2 3.31Å; C604-H624 VanDerWaalsContact SG-NE2 3.44Å
605	K	60.3	Low	63.9	Low	200 Å²	200	79.4 Å²	79.4	87%	0.87	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.2	176.3	-65	-167.9	176.4	-170	0	114.3
606	V	54.6	Low	63.9	Low	97 Å²	97	78.4 Å²	78.4	59%	0.588	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-29.8	-174.5	-170	0	0	0	0	113.2	C604 H624	C604-V606 PolarHBondContact O-N 2.86Å; C604-V606 PolarHBondContact SG-N 2.77Å; C604-V606 VanDerWaalsContact SG-N 3.39Å; V606-H624 HydrophobicContact CB-CB 4.21Å; V606-H624 HydrophobicContact CG1-CB 4.09Å; V606-H624 WeakPolarHBondContact CG1-ND1 3.32Å; V606-H624 HydrophobicContact CG2-CB 4.03Å
607	C	57.7	Low	64.3	Low	59 Å²	59	76.3 Å²	76.3	40%	0.399	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.8	12.6	179.9	74.7	0	0	0	0	114.9	R609 H620	C607-R609 PolarHBondContact O-N 2.88Å; C607-H620 VanDerWaalsContact SG-CE1 3.59Å; C607-H620 PolarHBondContact SG-NE2 3.19Å
608	L	59.1	Low	64.8	Low	126 Å²	126	78.1 Å²	78.1	66%	0.66	41%	0.406	S	S	*	.			trans	56.9	-1.6	176.4	-55.2	179.4	0	0	0	116.9	C604	C604-L608 WeakPolarHBondContact O-CA 3.22Å; C604-L608 PolarHBondContact O-N 3.25Å
609	R	61.8	Low	65.4	Low	169 Å²	169	82.6 Å²	82.6	64%	0.638	41%	0.414	S	S	*	.			trans	-59.4	130.9	-178.5	-166.7	171.1	-172.2	133.5	2.8	111.2	C604 C607 F611	C604-R609 PolarHBondContact N-O 3.44Å; C607-R609 PolarHBondContact O-N 2.88Å; R609-F611 HydrophobicContact CB-CE2 4.04Å; R609-F611 HydrophobicContact CB-CZ 4.49Å; R609-F611 HydrophobicContact CG-CE2 4.23Å; R609-F611 HydrophobicContact CG-CZ 4.34Å; R609-F611 WeakPolarHBondContact O-CD2 3.26Å; R609-F611 VanDerWaalsContact O-CE2 3.25Å; R609-F611 WeakPolarHBondContact O-CE2 3.35Å
610	P	57.4	Low	66.3	Low	65 Å²	65	76.9 Å²	76.9	42%	0.422	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	140.2	-176.5	34.4	-36	0	0	0	112.9	K600 K603	K600-P610 HydrophobicContact CB-CB 3.81Å; K600-P610 HydrophobicContact CD-CB 4.43Å; K600-P610 HydrophobicContact CD-CG 4.45Å; K603-P610 HydrophobicContact CG-CB 4.39Å
611	F	71.1	Confident	66.2	Low	39 Å²	39	74.7 Å²	74.7	17%	0.171	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	150.4	-179	-64.4	-92.8	0	0	0	111	K600 L602 C604 R609 N616 L617 H620	K600-F611 CarbonylContact C-O 3.49Å; K600-F611 VanDerWaalsContact CA-O 3.31Å; K600-F611 WeakPolarHBondContact CA-O 3.24Å; K600-F611 WeakPolarHBondContact CB-O 3.29Å; L602-F611 PolarHBondContact N-O 3.35Å; L602-F611 PolarHBondContact O-N 3.29Å; C604-F611 HydrophobicContact CB-CE2 4.25Å; R609-F611 HydrophobicContact CB-CE2 4.04Å; R609-F611 HydrophobicContact CB-CZ 4.49Å; R609-F611 HydrophobicContact CG-CE2 4.23Å; R609-F611 HydrophobicContact CG-CZ 4.34Å; R609-F611 WeakPolarHBondContact O-CD2 3.26Å; R609-F611 VanDerWaalsContact O-CE2 3.25Å; R609-F611 WeakPolarHBondContact O-CE2 3.35Å; F611-N616 HydrophobicContact CD1-CB 4.36Å; F611-L617 HydrophobicContact CB-CB 4.33Å; F611-L617 HydrophobicContact CD2-CB 4.46Å; F611-L617 HydrophobicContact CD2-CD1 3.91Å; F611-L617 HydrophobicContact CE2-CD1 4.22Å; F611-L617 HydrophobicContact CG-CB 4.4Å; F611-H620 HydrophobicContact CE1-CB 4.11Å; F611-H620 HydrophobicContact CE2-CB 4.34Å; F611-H620 AromaticContact CE2-CD2 3.35Å; F611-H620 WeakPolarHBondContact CE2-CD2 3.18Å; F611-H620 AromaticContact CE2-CG 3.88Å; F611-H620 AromaticContact CE2-NE2 3.88Å; F611-H620 HydrophobicContact CZ-CB 3.74Å; F611-H620 AromaticContact CZ-CD2 3.36Å; F611-H620 WeakPolarHBondContact CZ-CD2 3.25Å; F611-H620 AromaticContact CZ-CG 3.39Å; F611-H620 AromaticContact CZ-ND1 3.94Å; F611-H620 AromaticContact CZ-NE2 3.9Å
612	G	64.6	Low	66.5	Low	14 Å²	14	78.5 Å²	78.5	14%	0.144	39%	0.393	C	S	.	.	S	Bend	trans	-78.7	-28.2	173.5	0	0	0	0	0	113.3	R594	R594-G612 WeakPolarHBondContact CD-O 3.29Å; R594-G612 PolarHBondContact NH1-O 3.09Å
613	D	72.8	Confident	66.3	Low	26 Å²	26	77 Å²	77	14%	0.139	39%	0.385	C	S	.	.			trans	-132.7	137.8	-161.3	-33.9	-58.3	0	0	0	112.4	I591 L602 S615 N616 L617	I591-D613 HydrophobicContact CD1-CB 4.08Å; I591-D613 HydrophobicContact CG1-CB 4.39Å; I591-D613 WeakPolarHBondContact CG1-OD1 3.4Å; I591-D613 VanDerWaalsContact CG2-OD1 3.31Å; I591-D613 WeakPolarHBondContact CG2-OD1 3.3Å; L602-D613 VanDerWaalsContact CD1-C 3.49Å; D613-S615 VanDerWaalsContact C-N 3.29Å; D613-S615 PolarHBondContact O-N 2.9Å; D613-N616 HydrophobicContact CB-CB 4.22Å; D613-N616 PolarHBondContact O-N 3.41Å; D613-N616 PolarHBondContact OD2-ND2 2.91Å; D613-L617 PolarHBondContact O-N 2.79Å
614	P	69.3	Low	65.9	Low	57 Å²	57	73.3 Å²	73.3	37%	0.37	37%	0.369	S	S	.	.	H	α-helix	trans	-68.8	-30.5	-178.8	29.1	-34.8	0	0	0	111.7	Y587 L602 N616 L617 N618	Y587-P614 WeakPolarHBondContact OH-CD 3.41Å; Y587-P614 WeakPolarHBondContact OH-CG 3.39Å; L602-P614 HydrophobicContact CD1-CB 3.87Å; L602-P614 HydrophobicContact CD1-CG 4.34Å; L602-P614 VanDerWaalsContact CD1-N 3.28Å; P614-N616 VanDerWaalsContact C-N 3.33Å; P614-N616 PolarHBondContact O-N 3.08Å; P614-L617 PolarHBondContact O-N 2.89Å; P614-N618 VanDerWaalsContact O-CB 3.25Å; P614-N618 WeakPolarHBondContact O-CB 3.46Å; P614-N618 PolarHBondContact O-N 3.3Å
615	S	74.4	Confident	65.6	Low	65 Å²	65	77.4 Å²	77.4	46%	0.455	40%	0.404	S	S	.	.	H	α-helix	trans	-64.1	-38.2	174.2	-46.3	0	0	0	0	112	D613 K619	D613-S615 VanDerWaalsContact C-N 3.29Å; D613-S615 PolarHBondContact O-N 2.9Å; S615-K619 WeakPolarHBondContact O-CB 3.46Å; S615-K619 WeakPolarHBondContact O-CG 3.36Å; S615-K619 PolarHBondContact O-N 3.43Å
616	N	70	Confident	65.3	Low	77 Å²	77	74.5 Å²	74.5	41%	0.412	39%	0.393	S	S	.	.	H	α-helix	trans	-76.9	-38.4	177	-75.4	-36.4	0	0	0	111.6	F611 D613 P614 K619 H620	F611-N616 HydrophobicContact CD1-CB 4.36Å; D613-N616 HydrophobicContact CB-CB 4.22Å; D613-N616 PolarHBondContact O-N 3.41Å; D613-N616 PolarHBondContact OD2-ND2 2.91Å; P614-N616 VanDerWaalsContact C-N 3.33Å; P614-N616 PolarHBondContact O-N 3.08Å; N616-K619 PolarHBondContact O-N 3.48Å; N616-H620 WeakPolarHBondContact O-CB 3.42Å; N616-H620 PolarHBondContact O-N 3.17Å; N616-H620 VanDerWaalsContact O-N 3.1Å
617	L	75.1	Confident	65.1	Low	22 Å²	22	72.7 Å²	72.7	12%	0.115	39%	0.394	C	S	.	.	H	α-helix	trans	-60.5	-45	169.8	175.2	59.7	0	0	0	111.6	L602 C604 F611 D613 P614 H620 I621	L602-L617 HydrophobicContact CB-CD2 3.92Å; C604-L617 HydrophobicContact CB-CD1 3.98Å; F611-L617 HydrophobicContact CB-CB 4.33Å; F611-L617 HydrophobicContact CD2-CB 4.46Å; F611-L617 HydrophobicContact CD2-CD1 3.91Å; F611-L617 HydrophobicContact CE2-CD1 4.22Å; F611-L617 HydrophobicContact CG-CB 4.4Å; D613-L617 PolarHBondContact O-N 2.79Å; P614-L617 PolarHBondContact O-N 2.89Å; L617-H620 CarbonylContact O-C 3.53Å; L617-H620 WeakPolarHBondContact O-CA 3.47Å; L617-H620 WeakPolarHBondContact O-CB 3.49Å; L617-H620 PolarHBondContact O-N 3.48Å; L617-I621 HydrophobicContact CD1-CD1 3.82Å; L617-I621 HydrophobicContact CD1-CG1 3.86Å; L617-I621 HydrophobicContact CD2-CD1 4.22Å; L617-I621 HydrophobicContact CG-CD1 3.73Å; L617-I621 HydrophobicContact CG-CG1 4.2Å; L617-I621 WeakPolarHBondContact O-CG1 3.33Å; L617-I621 PolarHBondContact O-N 2.93Å
618	N	72.3	Confident	64.7	Low	86 Å²	86	71.8 Å²	71.8	46%	0.46	39%	0.385	S	S	.	.	H	α-helix	trans	-73.1	-28.3	-178.6	-165.6	18.9	0	0	0	113	P614 H620 R622	P614-N618 VanDerWaalsContact O-CB 3.25Å; P614-N618 WeakPolarHBondContact O-CB 3.46Å; P614-N618 PolarHBondContact O-N 3.3Å; N618-H620 PolarHBondContact O-N 3.08Å; N618-R622 PolarHBondContact O-N 2.87Å; N618-R622 PolarHBondContact O-NE 3.21Å; N618-R622 VanDerWaalsContact O-NE 3.08Å
619	K	73	Confident	64.3	Low	131 Å²	131	71 Å²	71	57%	0.57	39%	0.386	S	S	*	.	H	α-helix	trans	-67.8	-22.1	165.1	-77.8	179.1	178.1	-175.3	0	112.9	S615 N616	S615-K619 WeakPolarHBondContact O-CB 3.46Å; S615-K619 WeakPolarHBondContact O-CG 3.36Å; S615-K619 PolarHBondContact O-N 3.43Å; N616-K619 PolarHBondContact O-N 3.48Å
620	H	72	Confident	64.1	Low	21 Å²	21	66.6 Å²	66.6	10%	0.097	38%	0.379	C	S	.	.	H	α-helix	trans	-92.4	-36.5	177.7	170.4	67.6	0	0	0	113.1	C604 C607 F611 N616 L617 N618 R622 L623 H624	C604-H620 WeakPolarHBondContact CB-NE2 3.31Å; C604-H620 VanDerWaalsContact SG-CD2 3.58Å; C604-H620 PolarHBondContact SG-NE2 2.64Å; C604-H620 VanDerWaalsContact SG-NE2 3.35Å; C607-H620 VanDerWaalsContact SG-CE1 3.59Å; C607-H620 PolarHBondContact SG-NE2 3.19Å; F611-H620 HydrophobicContact CE1-CB 4.11Å; F611-H620 HydrophobicContact CE2-CB 4.34Å; F611-H620 AromaticContact CE2-CD2 3.35Å; F611-H620 WeakPolarHBondContact CE2-CD2 3.18Å; F611-H620 AromaticContact CE2-CG 3.88Å; F611-H620 AromaticContact CE2-NE2 3.88Å; F611-H620 HydrophobicContact CZ-CB 3.74Å; F611-H620 AromaticContact CZ-CD2 3.36Å; F611-H620 WeakPolarHBondContact CZ-CD2 3.25Å; F611-H620 AromaticContact CZ-CG 3.39Å; F611-H620 AromaticContact CZ-ND1 3.94Å; F611-H620 AromaticContact CZ-NE2 3.9Å; N616-H620 WeakPolarHBondContact O-CB 3.42Å; N616-H620 PolarHBondContact O-N 3.17Å; N616-H620 VanDerWaalsContact O-N 3.1Å; L617-H620 CarbonylContact O-C 3.53Å; L617-H620 WeakPolarHBondContact O-CA 3.47Å; L617-H620 WeakPolarHBondContact O-CB 3.49Å; L617-H620 PolarHBondContact O-N 3.48Å; N618-H620 PolarHBondContact O-N 3.08Å; H620-R622 VanDerWaalsContact C-N 3.3Å; H620-R622 PolarHBondContact O-N 3.41Å; H620-L623 VanDerWaalsContact O-CB 3.31Å; H620-L623 WeakPolarHBondContact O-CB 3.23Å; H620-L623 PolarHBondContact O-N 2.96Å; H620-L623 VanDerWaalsContact O-N 3.12Å; H620-H624 AromaticContact CD2-NE2 3.9Å; H620-H624 AromaticContact CE1-NE2 3.21Å; H620-H624 PolarHBondContact CE1-NE2 3.04Å; H620-H624 AromaticContact NE2-CD2 3.92Å; H620-H624 AromaticContact NE2-NE2 3.08Å; H620-H624 PolarHBondContact NE2-NE2 3.29Å; H620-H624 PolarHBondContact O-CD2 3.13Å
621	I	67.4	Low	64.2	Low	65 Å²	65	65.9 Å²	65.9	33%	0.333	37%	0.368	S	S	.	.	H	α-helix	trans	-61.1	-39.2	175	-72.1	172.2	0	0	0	111	L617 L623 H624 A625	L617-I621 HydrophobicContact CD1-CD1 3.82Å; L617-I621 HydrophobicContact CD1-CG1 3.86Å; L617-I621 HydrophobicContact CD2-CD1 4.22Å; L617-I621 HydrophobicContact CG-CD1 3.73Å; L617-I621 HydrophobicContact CG-CG1 4.2Å; L617-I621 WeakPolarHBondContact O-CG1 3.33Å; L617-I621 PolarHBondContact O-N 2.93Å; I621-L623 PolarHBondContact O-N 3.05Å; I621-H624 WeakPolarHBondContact O-CB 3.47Å; I621-H624 PolarHBondContact O-N 3.07Å; I621-A625 PolarHBondContact O-N 3.35Å; I621-A625 VanDerWaalsContact O-N 3.08Å
622	R	68.9	Low	63.7	Low	138 Å²	138	71.7 Å²	71.7	52%	0.521	39%	0.389	S	S	.	.	H	α-helix	trans	-55.4	-32.6	173.9	-82.4	179.1	-86.4	-170.3	-8.1	113.9	N618 H620 H624 A625 E626	N618-R622 PolarHBondContact O-N 2.87Å; N618-R622 PolarHBondContact O-NE 3.21Å; N618-R622 VanDerWaalsContact O-NE 3.08Å; H620-R622 VanDerWaalsContact C-N 3.3Å; H620-R622 PolarHBondContact O-N 3.41Å; R622-H624 PolarHBondContact O-N 2.93Å; R622-A625 PolarHBondContact O-N 3.44Å; R622-E626 WeakPolarHBondContact O-CB 3.33Å; R622-E626 PolarHBondContact O-N 2.81Å
623	L	59.7	Low	64	Low	22 Å²	22	71 Å²	71	12%	0.115	38%	0.382	C	S	.	.	H	α-helix	trans	-66.4	-26	176.9	-49.1	173.2	0	0	0	112.9	H620 I621 V641 R642	H620-L623 VanDerWaalsContact O-CB 3.31Å; H620-L623 WeakPolarHBondContact O-CB 3.23Å; H620-L623 PolarHBondContact O-N 2.96Å; H620-L623 VanDerWaalsContact O-N 3.12Å; I621-L623 PolarHBondContact O-N 3.05Å; L623-V641 HydrophobicContact CB-CG1 4.01Å; L623-V641 HydrophobicContact CD1-CG1 3.82Å; L623-V641 HydrophobicContact CG-CG1 4.48Å; L623-R642 HydrophobicContact CD2-CG 4.14Å
624	H	57.8	Low	63.8	Low	60 Å²	60	77.3 Å²	77.3	28%	0.278	41%	0.411	S	S	.	.	H	α-helix	trans	-86.5	-35.3	174.1	-59.1	-77.1	0	0	0	111.9	C604 V606 H620 I621 R622 E626 G627	C604-H624 PolarHBondContact SG-NE2 3.31Å; C604-H624 VanDerWaalsContact SG-NE2 3.44Å; V606-H624 HydrophobicContact CB-CB 4.21Å; V606-H624 HydrophobicContact CG1-CB 4.09Å; V606-H624 WeakPolarHBondContact CG1-ND1 3.32Å; V606-H624 HydrophobicContact CG2-CB 4.03Å; H620-H624 AromaticContact CD2-NE2 3.9Å; H620-H624 AromaticContact CE1-NE2 3.21Å; H620-H624 PolarHBondContact CE1-NE2 3.04Å; H620-H624 AromaticContact NE2-CD2 3.92Å; H620-H624 AromaticContact NE2-NE2 3.08Å; H620-H624 PolarHBondContact NE2-NE2 3.29Å; H620-H624 PolarHBondContact O-CD2 3.13Å; I621-H624 WeakPolarHBondContact O-CB 3.47Å; I621-H624 PolarHBondContact O-N 3.07Å; R622-H624 PolarHBondContact O-N 2.93Å; H624-E626 VanDerWaalsContact C-N 3.34Å; H624-G627 PolarHBondContact O-N 3.08Å
625	A	58.8	Low	63.7	Low	87 Å²	87	78.2 Å²	78.2	72%	0.719	41%	0.409	S	S	*	.	H	α-helix	trans	-66.3	-35.4	178.8	0	0	0	0	0	112.8	I621 R622 G627	I621-A625 PolarHBondContact O-N 3.35Å; I621-A625 VanDerWaalsContact O-N 3.08Å; R622-A625 PolarHBondContact O-N 3.44Å; A625-G627 PolarHBondContact O-N 2.76Å
626	E	54.3	Low	63.5	Low	138 Å²	138	78.3 Å²	78.3	65%	0.645	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	4.3	-176.7	-161.4	168.7	-89.9	0	0	113.5	R622 H624 N628	R622-E626 WeakPolarHBondContact O-CB 3.33Å; R622-E626 PolarHBondContact O-N 2.81Å; H624-E626 VanDerWaalsContact C-N 3.34Å; E626-N628 PolarHBondContact O-N 2.84Å; E626-N628 PolarHBondContact OE2-ND2 2.86Å
627	G	50.2	Low	63.1	Low	59 Å²	59	75.5 Å²	75.5	61%	0.608	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	15.5	175.2	0	0	0	0	0	115.2	H624 A625 T629	H624-G627 PolarHBondContact O-N 3.08Å; A625-G627 PolarHBondContact O-N 2.76Å; G627-T629 PolarHBondContact O-N 2.65Å
628	N	49.4	Very low	62.4	Low	40 Å²	40	79.8 Å²	79.8	21%	0.214	42%	0.416	C	S	.	.			trans	-56.9	100.3	-177.8	-85.2	-73.5	0	0	0	110.6	E626 Y631	E626-N628 PolarHBondContact O-N 2.84Å; E626-N628 PolarHBondContact OE2-ND2 2.86Å; N628-Y631 HydrophobicContact CB-CE2 4.15Å; N628-Y631 VanDerWaalsContact OD1-CE2 3.29Å; N628-Y631 WeakPolarHBondContact OD1-CE2 3.45Å; N628-Y631 PolarHBondContact OD1-OH 3.25Å
629	T	49.2	Very low	61.7	Low	110 Å²	110	79.7 Å²	79.7	68%	0.675	42%	0.418	S	S	*	.			trans	-54.2	131.7	168.6	51.2	0	0	0	0	107.8	G627 Y631	G627-T629 PolarHBondContact O-N 2.65Å; T629-Y631 PolarHBondContact O-N 3.36Å
630	P	58.3	Low	61.6	Low	76 Å²	76	75 Å²	75	49%	0.494	40%	0.399	S	S	.	.			trans	-77.7	93.7	-160.5	31.8	-37.5	0	0	0	109.9	R632 V639 L640	P630-R632 PolarHBondContact O-N 3.46Å; P630-V639 HydrophobicContact CB-CG1 3.56Å; P630-V639 HydrophobicContact CG-CG1 3.87Å; P630-L640 CarbonylContact C-O 3.5Å; P630-L640 WeakPolarHBondContact CA-O 3.48Å
631	Y	59.9	Low	61	Low	51 Å²	51	77.4 Å²	77.4	20%	0.2	42%	0.415	C	S	.	.			trans	-30.8	100.1	-177.6	-62	-85.3	0	0	0	113.1	N628 T629 L640 R643	N628-Y631 HydrophobicContact CB-CE2 4.15Å; N628-Y631 VanDerWaalsContact OD1-CE2 3.29Å; N628-Y631 WeakPolarHBondContact OD1-CE2 3.45Å; N628-Y631 PolarHBondContact OD1-OH 3.25Å; T629-Y631 PolarHBondContact O-N 3.36Å; Y631-L640 WeakPolarHBondContact CB-O 3.43Å; Y631-L640 PolarHBondContact N-O 3.47Å; Y631-L640 PolarHBondContact O-N 2.73Å; Y631-R643 HydrophobicContact CD1-CB 4.3Å; Y631-R643 HydrophobicContact CD1-CG 4.37Å; Y631-R643 HydrophobicContact CE1-CB 3.9Å; Y631-R643 HydrophobicContact CE1-CG 4.06Å; Y631-R643 HydrophobicContact CE2-CB 4.31Å
632	R	60.2	Low	60.9	Low	161 Å²	161	78.9 Å²	78.9	61%	0.608	42%	0.417	S	S	*	.	B	Isolated β-bridge	trans	-84.1	125.3	177.6	-167.8	175.6	-170.9	-107.6	5.5	109	P630 E634 G637 V639	P630-R632 PolarHBondContact O-N 3.46Å; R632-E634 PolarHBondContact O-N 2.83Å; R632-G637 WeakPolarHBondContact CG-O 3.43Å; R632-G637 VanDerWaalsContact CZ-CA 3.41Å; R632-G637 PolarHBondContact NE-O 2.82Å; R632-V639 HydrophobicContact CG-CG2 4.22Å
633	C	71.4	Confident	61	Low	0 Å²	0	79.5 Å²	79.5	0%	0	42%	0.419	C	S	.	.			trans	-64.7	118.7	167.6	-174.7	0	0	0	0	109.1	F635 C636 G637 K638 L646	C633-F635 PolarHBondContact O-N 3.45Å; C633-C636 VanDerWaalsContact SG-SG 3.69Å; C633-G637 WeakPolarHBondContact O-CA 3.23Å; C633-G637 PolarHBondContact O-N 2.94Å; C633-K638 HydrophobicContact CB-CB 4.41Å; C633-K638 PolarHBondContact N-O 2.88Å; C633-L646 HydrophobicContact CB-CD1 3.49Å; C633-L646 VanDerWaalsContact CB-CD1 3.49Å
634	E	68	Low	61.7	Low	157 Å²	157	85.8 Å²	85.8	73%	0.734	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-32.8	-179.8	-60.5	-177.7	155.9	0	0	111.3	R632	R632-E634 PolarHBondContact O-N 2.83Å
635	F	67.9	Low	62.4	Low	76 Å²	76	85 Å²	85	33%	0.333	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-15.7	-174.5	-47.1	-64.4	0	0	0	115.6	C633 V650 H654 Q657 L659	C633-F635 PolarHBondContact O-N 3.45Å; F635-V650 HydrophobicContact CD2-CG1 4.28Å; F635-V650 HydrophobicContact CD2-CG2 4.29Å; F635-V650 HydrophobicContact CE2-CG1 4.13Å; F635-V650 HydrophobicContact CE2-CG2 4.49Å; F635-H654 VanDerWaalsContact CB-CE1 3.44Å; F635-H654 WeakPolarHBondContact CB-CE1 3.28Å; F635-H654 VanDerWaalsContact CB-ND1 3.3Å; F635-H654 WeakPolarHBondContact CB-ND1 3.49Å; F635-H654 HydrophobicContact CD2-CB 4.37Å; F635-H654 PolarHBondContact O-CE1 2.97Å; F635-Q657 HydrophobicContact CD1-CB 4.45Å; F635-Q657 HydrophobicContact CD1-CG 4.32Å; F635-Q657 HydrophobicContact CD2-CB 4.11Å; F635-Q657 HydrophobicContact CE1-CB 4.15Å; F635-Q657 HydrophobicContact CE1-CG 4.17Å; F635-Q657 HydrophobicContact CE2-CB 3.8Å; F635-Q657 HydrophobicContact CG-CB 4.44Å; F635-Q657 HydrophobicContact CZ-CB 3.83Å; F635-Q657 HydrophobicContact CZ-CG 4.34Å; F635-L659 HydrophobicContact CE2-CD2 4.33Å
636	C	70.6	Confident	63.2	Low	67 Å²	67	81.3 Å²	81.3	45%	0.453	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.9	8.6	174	67.1	0	0	0	0	114.9	C633 K638 H649 H654	C633-C636 VanDerWaalsContact SG-SG 3.69Å; C636-K638 PolarHBondContact O-N 3.5Å; C636-K638 VanDerWaalsContact O-N 3.09Å; C636-H649 PolarHBondContact SG-NE2 3.38Å; C636-H654 WeakPolarHBondContact CB-NE2 3.43Å; C636-H654 PolarHBondContact SG-NE2 2.79Å
637	G	61.4	Low	64.3	Low	18 Å²	18	79.2 Å²	79.2	19%	0.186	40%	0.397	C	S	.	.			trans	67.8	2.9	179.9	0	0	0	0	0	116.2	R632 C633 V639	R632-G637 WeakPolarHBondContact CG-O 3.43Å; R632-G637 VanDerWaalsContact CZ-CA 3.41Å; R632-G637 PolarHBondContact NE-O 2.82Å; C633-G637 WeakPolarHBondContact O-CA 3.23Å; C633-G637 PolarHBondContact O-N 2.94Å; G637-V639 PolarHBondContact O-N 3.04Å
638	K	59.2	Low	65.7	Low	112 Å²	112	84.1 Å²	84.1	49%	0.487	40%	0.397	S	S	.	.			trans	-72	124.3	-174.4	-171	173	-173	173	0	112.2	C633 C636	C633-K638 HydrophobicContact CB-CB 4.41Å; C633-K638 PolarHBondContact N-O 2.88Å; C636-K638 PolarHBondContact O-N 3.5Å; C636-K638 VanDerWaalsContact O-N 3.09Å
639	V	58.8	Low	67	Low	85 Å²	85	83.2 Å²	83.2	52%	0.515	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-86.6	127.6	-177.2	176.4	0	0	0	0	110.6	P630 R632 G637	P630-V639 HydrophobicContact CB-CG1 3.56Å; P630-V639 HydrophobicContact CG-CG1 3.87Å; R632-V639 HydrophobicContact CG-CG2 4.22Å; G637-V639 PolarHBondContact O-N 3.04Å
640	L	70.1	Confident	68.3	Low	32 Å²	32	78.1 Å²	78.1	17%	0.168	36%	0.361	C	S	.	.			trans	-135.3	147.4	-175.1	-67.4	174.9	0	0	0	112.4	P630 Y631 R642 L646 H649	P630-L640 CarbonylContact C-O 3.5Å; P630-L640 WeakPolarHBondContact CA-O 3.48Å; Y631-L640 WeakPolarHBondContact CB-O 3.43Å; Y631-L640 PolarHBondContact N-O 3.47Å; Y631-L640 PolarHBondContact O-N 2.73Å; L640-R642 PolarHBondContact O-N 3.38Å; L640-L646 HydrophobicContact CD1-CB 4.14Å; L640-L646 HydrophobicContact CD1-CD1 4.16Å; L640-H649 HydrophobicContact CD1-CB 3.61Å; L640-H649 VanDerWaalsContact CD1-CD2 3.42Å; L640-H649 WeakPolarHBondContact CD1-CD2 3.16Å
641	V	60.3	Low	69.3	Low	72 Å²	72	83.3 Å²	83.3	44%	0.436	38%	0.375	S	S	.	.	S	Bend	trans	-86.9	-6.6	-167.2	-167.2	0	0	0	0	113.3	L623	L623-V641 HydrophobicContact CB-CG1 4.01Å; L623-V641 HydrophobicContact CD1-CG1 3.82Å; L623-V641 HydrophobicContact CG-CG1 4.48Å
642	R	65.4	Low	70.1	Confident	96 Å²	96	84.5 Å²	84.5	36%	0.362	39%	0.391	S	S	.	.			trans	-146.7	144.1	179.8	-50.9	-174.8	-170.8	90.3	-3.6	112	L623 L640 R644 D645 L646	L623-R642 HydrophobicContact CD2-CG 4.14Å; L640-R642 PolarHBondContact O-N 3.38Å; R642-R644 HydrophobicContact CB-CG 3.92Å; R642-R644 PolarHBondContact O-N 2.82Å; R642-D645 HydrophobicContact CB-CB 4.23Å; R642-D645 WeakPolarHBondContact CB-OD2 3.45Å; R642-D645 WeakPolarHBondContact CD-OD2 3.48Å; R642-D645 WeakPolarHBondContact CG-OD2 3.3Å; R642-D645 IonicContact CZ-OD2 2.73Å; R642-D645 IonicContact NE-OD2 2.89Å; R642-D645 IonicContact NH1-OD2 2.74Å; R642-D645 PolarHBondContact NH1-OD2 3.32Å; R642-D645 PolarHBondContact O-N 3.12Å; R642-L646 PolarHBondContact O-N 3.17Å
643	R	69.4	Low	70.6	Confident	150 Å²	150	85.4 Å²	85.4	57%	0.566	40%	0.395	S	S	*	.	H	α-helix	trans	-54.4	-51.1	175.4	-159.7	-172	-69.6	-168.9	-3.8	112.6	Y631 D645 L646 E647	Y631-R643 HydrophobicContact CD1-CB 4.3Å; Y631-R643 HydrophobicContact CD1-CG 4.37Å; Y631-R643 HydrophobicContact CE1-CB 3.9Å; Y631-R643 HydrophobicContact CE1-CG 4.06Å; Y631-R643 HydrophobicContact CE2-CB 4.31Å; R643-D645 PolarHBondContact O-N 3.31Å; R643-D645 VanDerWaalsContact O-N 3.12Å; R643-L646 CarbonylContact O-C 3.57Å; R643-L646 WeakPolarHBondContact O-CA 3.48Å; R643-L646 WeakPolarHBondContact O-CB 3.35Å; R643-L646 PolarHBondContact O-N 2.66Å; R643-E647 WeakPolarHBondContact CD-OE1 3.28Å; R643-E647 HydrophobicContact CG-CG 4.5Å; R643-E647 VanDerWaalsContact CG-OE1 3.28Å; R643-E647 WeakPolarHBondContact CG-OE1 3.3Å; R643-E647 WeakPolarHBondContact O-CG 3.42Å; R643-E647 PolarHBondContact O-N 2.7Å
644	R	74.6	Confident	70.6	Confident	155 Å²	155	86.8 Å²	86.8	59%	0.585	40%	0.401	S	S	*	.	H	α-helix	trans	-55.5	-27.3	174.2	57.9	174.6	-76.8	145.3	-2.7	115.7	R642 E647 R648	R642-R644 HydrophobicContact CB-CG 3.92Å; R642-R644 PolarHBondContact O-N 2.82Å; R644-E647 WeakPolarHBondContact CA-OE2 3.44Å; R644-R648 WeakPolarHBondContact O-CB 3.38Å; R644-R648 PolarHBondContact O-N 2.86Å
645	D	73.5	Confident	70.2	Confident	44 Å²	44	84.8 Å²	84.8	24%	0.235	40%	0.402	C	S	.	.	H	α-helix	trans	-85.9	-31.1	177.8	-61.6	-26.1	0	0	0	110.2	R642 R643 H649	R642-D645 HydrophobicContact CB-CB 4.23Å; R642-D645 WeakPolarHBondContact CB-OD2 3.45Å; R642-D645 WeakPolarHBondContact CD-OD2 3.48Å; R642-D645 WeakPolarHBondContact CG-OD2 3.3Å; R642-D645 IonicContact CZ-OD2 2.73Å; R642-D645 IonicContact NE-OD2 2.89Å; R642-D645 IonicContact NH1-OD2 2.74Å; R642-D645 PolarHBondContact NH1-OD2 3.32Å; R642-D645 PolarHBondContact O-N 3.12Å; R643-D645 PolarHBondContact O-N 3.31Å; R643-D645 VanDerWaalsContact O-N 3.12Å; D645-H649 VanDerWaalsContact O-CB 3.25Å; D645-H649 WeakPolarHBondContact O-CB 3.49Å; D645-H649 PolarHBondContact O-N 2.81Å
646	L	74.2	Confident	69.9	Low	9 Å²	9	85.4 Å²	85.4	5%	0.047	43%	0.43	C	S	.	.	H	α-helix	trans	-68.1	-48.6	167.9	175.4	63	0	0	0	112.2	C633 L640 R642 R643 R648 H649 V650 L659	C633-L646 HydrophobicContact CB-CD1 3.49Å; C633-L646 VanDerWaalsContact CB-CD1 3.49Å; L640-L646 HydrophobicContact CD1-CB 4.14Å; L640-L646 HydrophobicContact CD1-CD1 4.16Å; R642-L646 PolarHBondContact O-N 3.17Å; R643-L646 CarbonylContact O-C 3.57Å; R643-L646 WeakPolarHBondContact O-CA 3.48Å; R643-L646 WeakPolarHBondContact O-CB 3.35Å; R643-L646 PolarHBondContact O-N 2.66Å; L646-R648 VanDerWaalsContact C-N 3.29Å; L646-R648 PolarHBondContact O-N 2.79Å; L646-H649 CarbonylContact O-C 3.48Å; L646-H649 WeakPolarHBondContact O-CA 3.21Å; L646-H649 WeakPolarHBondContact O-CB 3.17Å; L646-H649 PolarHBondContact O-N 3.19Å; L646-V650 HydrophobicContact CD1-CG2 3.77Å; L646-V650 HydrophobicContact CG-CG2 4.22Å; L646-V650 WeakPolarHBondContact O-CG2 3.25Å; L646-V650 PolarHBondContact O-N 2.83Å; L646-L659 HydrophobicContact CD2-CD1 3.94Å; L646-L659 HydrophobicContact CG-CD1 4.09Å
647	E	77.6	Confident	69.4	Low	94 Å²	94	86.5 Å²	86.5	44%	0.439	43%	0.428	S	S	.	.	H	α-helix	trans	-55.4	-45.7	177.4	-70.6	158.6	-173.9	0	0	111.1	R643 R644 V650 K651 L659	R643-E647 WeakPolarHBondContact CD-OE1 3.28Å; R643-E647 HydrophobicContact CG-CG 4.5Å; R643-E647 VanDerWaalsContact CG-OE1 3.28Å; R643-E647 WeakPolarHBondContact CG-OE1 3.3Å; R643-E647 WeakPolarHBondContact O-CG 3.42Å; R643-E647 PolarHBondContact O-N 2.7Å; R644-E647 WeakPolarHBondContact CA-OE2 3.44Å; E647-V650 PolarHBondContact O-N 3.39Å; E647-K651 VanDerWaalsContact O-CB 3.24Å; E647-K651 WeakPolarHBondContact O-CB 3.36Å; E647-K651 PolarHBondContact O-N 3.14Å; E647-L659 HydrophobicContact CG-CD1 4.12Å
648	R	79.4	Confident	69.3	Low	162 Å²	162	89.6 Å²	89.6	61%	0.611	45%	0.447	S	S	*	.	H	α-helix	trans	-61.9	-42.8	172.9	-176.1	-173.4	-60.3	-146.4	-7.3	112	R644 L646 S652	R644-R648 WeakPolarHBondContact O-CB 3.38Å; R644-R648 PolarHBondContact O-N 2.86Å; L646-R648 VanDerWaalsContact C-N 3.29Å; L646-R648 PolarHBondContact O-N 2.79Å; R648-S652 VanDerWaalsContact O-CB 3.3Å; R648-S652 WeakPolarHBondContact O-CB 3.47Å; R648-S652 PolarHBondContact O-N 2.74Å; R648-S652 PolarHBondContact O-OG 2.82Å
649	H	78.1	Confident	69.3	Low	20 Å²	20	87.7 Å²	87.7	9%	0.093	44%	0.442	C	S	.	.	H	α-helix	trans	-63.9	-46.2	178.7	170.2	24.9	0	0	0	111.8	C636 L640 D645 L646 S652 R653	C636-H649 PolarHBondContact SG-NE2 3.38Å; L640-H649 HydrophobicContact CD1-CB 3.61Å; L640-H649 VanDerWaalsContact CD1-CD2 3.42Å; L640-H649 WeakPolarHBondContact CD1-CD2 3.16Å; D645-H649 VanDerWaalsContact O-CB 3.25Å; D645-H649 WeakPolarHBondContact O-CB 3.49Å; D645-H649 PolarHBondContact O-N 2.81Å; L646-H649 CarbonylContact O-C 3.48Å; L646-H649 WeakPolarHBondContact O-CA 3.21Å; L646-H649 WeakPolarHBondContact O-CB 3.17Å; L646-H649 PolarHBondContact O-N 3.19Å; H649-S652 PolarHBondContact O-N 2.73Å; H649-S652 PolarHBondContact O-OG 2.92Å; H649-R653 WeakPolarHBondContact ND1-CG 3.44Å; H649-R653 WeakPolarHBondContact O-CB 3.4Å; H649-R653 PolarHBondContact O-N 2.91Å
650	V	76.6	Confident	69.2	Low	4 Å²	4	91.3 Å²	91.3	2%	0.024	46%	0.458	C	S	.	.	H	α-helix	trans	-60.5	-55.4	175.1	172.4	0	0	0	0	109.2	F635 L646 E647 S652 R653 H654 Q657 L659	F635-V650 HydrophobicContact CD2-CG1 4.28Å; F635-V650 HydrophobicContact CD2-CG2 4.29Å; F635-V650 HydrophobicContact CE2-CG1 4.13Å; F635-V650 HydrophobicContact CE2-CG2 4.49Å; L646-V650 HydrophobicContact CD1-CG2 3.77Å; L646-V650 HydrophobicContact CG-CG2 4.22Å; L646-V650 WeakPolarHBondContact O-CG2 3.25Å; L646-V650 PolarHBondContact O-N 2.83Å; E647-V650 PolarHBondContact O-N 3.39Å; V650-S652 PolarHBondContact O-N 2.89Å; V650-R653 PolarHBondContact O-N 3.05Å; V650-H654 HydrophobicContact CG1-CB 4.17Å; V650-H654 CarbonylContact O-C 3.49Å; V650-H654 VanDerWaalsContact O-CA 3.29Å; V650-H654 WeakPolarHBondContact O-CA 3.36Å; V650-H654 WeakPolarHBondContact O-CB 3.4Å; V650-H654 PolarHBondContact O-N 3.1Å; V650-Q657 WeakPolarHBondContact CG1-O 3.47Å; V650-L659 HydrophobicContact CG2-CD2 4.39Å
651	K	79.7	Confident	67.8	Low	184 Å²	184	94.1 Å²	94.1	80%	0.8	49%	0.485	S	S	*	.	H	α-helix	trans	-60.2	-19.1	-179.8	-168.3	166.8	-176.3	171.6	0	114.9	E647	E647-K651 VanDerWaalsContact O-CB 3.24Å; E647-K651 WeakPolarHBondContact O-CB 3.36Å; E647-K651 PolarHBondContact O-N 3.14Å
652	S	76.1	Confident	66.7	Low	77 Å²	77	100.9 Å²	100.9	54%	0.538	51%	0.509	S	S	.	.	H	α-helix	trans	-109.3	-11.7	179.6	60.9	0	0	0	0	115.8	R648 H649 V650	R648-S652 VanDerWaalsContact O-CB 3.3Å; R648-S652 WeakPolarHBondContact O-CB 3.47Å; R648-S652 PolarHBondContact O-N 2.74Å; R648-S652 PolarHBondContact O-OG 2.82Å; H649-S652 PolarHBondContact O-N 2.73Å; H649-S652 PolarHBondContact O-OG 2.92Å; V650-S652 PolarHBondContact O-N 2.89Å
653	R	71.3	Confident	65.4	Low	180 Å²	180	101.5 Å²	101.5	68%	0.679	53%	0.534	S	S	*	.	H	α-helix	trans	-126.8	-13.9	179.5	-61.3	-60.2	-172.1	99.3	-8	114.2	H649 V650 P655	H649-R653 WeakPolarHBondContact ND1-CG 3.44Å; H649-R653 WeakPolarHBondContact O-CB 3.4Å; H649-R653 PolarHBondContact O-N 2.91Å; V650-R653 PolarHBondContact O-N 3.05Å; R653-P655 VanDerWaalsContact C-CD 3.47Å
654	H	71.4	Confident	63.8	Low	29 Å²	29	97.6 Å²	97.6	13%	0.134	54%	0.541	C	S	.	.	S	Bend	trans	-131.5	61.4	-179.1	-64	-76.1	0	0	0	109.6	F635 C636 V650 G656 Q657	F635-H654 VanDerWaalsContact CB-CE1 3.44Å; F635-H654 WeakPolarHBondContact CB-CE1 3.28Å; F635-H654 VanDerWaalsContact CB-ND1 3.3Å; F635-H654 WeakPolarHBondContact CB-ND1 3.49Å; F635-H654 HydrophobicContact CD2-CB 4.37Å; F635-H654 PolarHBondContact O-CE1 2.97Å; C636-H654 WeakPolarHBondContact CB-NE2 3.43Å; C636-H654 PolarHBondContact SG-NE2 2.79Å; V650-H654 HydrophobicContact CG1-CB 4.17Å; V650-H654 CarbonylContact O-C 3.49Å; V650-H654 VanDerWaalsContact O-CA 3.29Å; V650-H654 WeakPolarHBondContact O-CA 3.36Å; V650-H654 WeakPolarHBondContact O-CB 3.4Å; V650-H654 PolarHBondContact O-N 3.1Å; H654-G656 PolarHBondContact O-N 3.15Å; H654-Q657 HydrophobicContact CB-CB 4.19Å; H654-Q657 PolarHBondContact ND1-OE1 2.84Å; H654-Q657 PolarHBondContact O-N 2.88Å; H654-Q657 VanDerWaalsContact O-N 3.12Å
655	P	58.8	Low	61.8	Low	114 Å²	114	98.6 Å²	98.6	74%	0.74	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	132	179.9	26.9	-34.8	0	0	0	110.6	R653	R653-P655 VanDerWaalsContact C-CD 3.47Å
656	G	62.2	Low	59.7	Low	90 Å²	90	99.9 Å²	99.9	93%	0.928	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	89.8	-10.5	-176.4	0	0	0	0	0	115.3	H654	H654-G656 PolarHBondContact O-N 3.15Å
657	Q	59.6	Low	58	Low	89 Å²	89	106 Å²	106	42%	0.416	62%	0.622	S	S	.	*			trans	-101.8	132.4	174.7	-68.9	168.3	-19.2	0	0	109.7	F635 V650 H654	F635-Q657 HydrophobicContact CD1-CB 4.45Å; F635-Q657 HydrophobicContact CD1-CG 4.32Å; F635-Q657 HydrophobicContact CD2-CB 4.11Å; F635-Q657 HydrophobicContact CE1-CB 4.15Å; F635-Q657 HydrophobicContact CE1-CG 4.17Å; F635-Q657 HydrophobicContact CE2-CB 3.8Å; F635-Q657 HydrophobicContact CG-CB 4.44Å; F635-Q657 HydrophobicContact CZ-CB 3.83Å; F635-Q657 HydrophobicContact CZ-CG 4.34Å; V650-Q657 WeakPolarHBondContact CG1-O 3.47Å; H654-Q657 HydrophobicContact CB-CB 4.19Å; H654-Q657 PolarHBondContact ND1-OE1 2.84Å; H654-Q657 PolarHBondContact O-N 2.88Å; H654-Q657 VanDerWaalsContact O-N 3.12Å
658	S	58.7	Low	55.8	Low	83 Å²	83	105.3 Å²	105.3	58%	0.58	64%	0.639	S	S	*	*			trans	-131.5	152.7	-178	-172.3	0	0	0	0	110.3	L660	S658-L660 VanDerWaalsContact C-N 3.26Å; S658-L660 PolarHBondContact O-N 3.19Å
659	L	58.7	Low	53.4	Low	72 Å²	72	102.6 Å²	102.6	38%	0.377	65%	0.652	S	S	.	*	S	Bend	trans	-82.7	5.2	-176.5	-60.9	176.4	0	0	0	113.9	F635 L646 E647 V650	F635-L659 HydrophobicContact CE2-CD2 4.33Å; L646-L659 HydrophobicContact CD2-CD1 3.94Å; L646-L659 HydrophobicContact CG-CD1 4.09Å; E647-L659 HydrophobicContact CG-CD1 4.12Å; V650-L659 HydrophobicContact CG2-CD2 4.39Å
660	L	57.3	Low	51.4	Low	162 Å²	162	110 Å²	110	85%	0.848	69%	0.686	S	S	*	*			trans	-94.4	89	170.3	-82.9	83.8	0	0	0	110.2	S658	S658-L660 VanDerWaalsContact C-N 3.26Å; S658-L660 PolarHBondContact O-N 3.19Å
661	A	41.4	Very low	49.7	Very low	90 Å²	90	116 Å²	116	74%	0.744	73%	0.725	S	S	*	*			trans	-156.1	53.5	171.9	0	0	0	0	0	113
662	K	37.8	Very low	47.2	Very low	215 Å²	215	110.7 Å²	110.7	94%	0.935	72%	0.723	S	S	*	*			trans	-151.3	73.1	164.4	-150.1	165.5	-170.1	173.7	0	115
663	A	37.5	Very low	44.9	Very low	108 Å²	108	117.9 Å²	117.9	89%	0.893	74%	0.74	S	S	*	*			trans	-145.2	129.2	159.5	0	0	0	0	0	107.8
664	G	36.1	Very low	43.4	Very low	69 Å²	69	114.2 Å²	114.2	71%	0.711	74%	0.739	S	S	*	*			trans	121.8	143.5	-176.3	0	0	0	0	0	113.9
665	D	31.7	Very low	41.9	Very low	176 Å²	176	118.4 Å²	118.4	94%	0.941	77%	0.769	S	S	*	*			trans	57.4	113.2	167.8	-52.6	-35.7	0	0	0	118.4
666	G	30.3	Very low	40.6	Very low	71 Å²	71	120.8 Å²	120.8	73%	0.732	77%	0.77	S	S	*	*			cis	-160.9	-174.1	4.7	0	0	0	0	0	115
667	P	38.6	Very low	39.5	Very low	138 Å²	138	122.6 Å²	122.6	90%	0.896	77%	0.766	S	S	*	*			trans	-90.2	169.8	-163.3	36.4	-37.8	0	0	0	114.7
668	G	30.7	Very low	38	Very low	78 Å²	78	121.3 Å²	121.3	80%	0.804	78%	0.777	S	S	*	*			cis	140.1	125.5	-5.2	0	0	0	0	0	113.5
669	A	28.6	Very low	36.8	Very low	105 Å²	105	125.1 Å²	125.1	87%	0.868	79%	0.791	S	S	*	*			trans	-165.2	126.5	169.4	0	0	0	0	0	113.1
670	E	35.8	Very low	36	Very low	175 Å²	175	127.4 Å²	127.4	82%	0.818	81%	0.81	S	S	*	*			trans	-134.1	157	166	-90.5	-70.1	168.5	0	0	107.3
671	P	42.5	Very low	35.1	Very low	130 Å²	130	128 Å²	128	84%	0.844	81%	0.806	S	S	*	*			trans	-145.7	118	140.2	32.3	-14.1	0	0	0	115.2
672	G	26.8	Very low	34.7	Very low	73 Å²	73	129.2 Å²	129.2	75%	0.753	81%	0.808	S	S	*	*			trans	-171.3	95.1	169.6	0	0	0	0	0	114.5
673	Y	27.5	Very low	34.4	Very low	229 Å²	229	124.8 Å²	124.8	90%	0.898	80%	0.795	S	S	*	*			trans	-91.6	172.9	175.3	-104.8	-130.5	0	0	0	111.3
674	P	39.9	Very low	34.1	Very low	103 Å²	103	127.7 Å²	127.7	67%	0.669	80%	0.795	S	S	*	*			cis	-139.4	-153	-37	41.1	-21.9	0	0	0	111.1
675	P	40.2	Very low	34	Very low	117 Å²	117	128.5 Å²	128.5	76%	0.76	79%	0.79	S	S	*	*			cis	-123.4	176.7	-38.8	23.8	-1.6	0	0	0	114.7
676	E	31	Very low	34.2	Very low	163 Å²	163	127.9 Å²	127.9	76%	0.762	79%	0.787	S	S	*	*			trans	-31.2	161.6	157	-72.3	-56	123.1	0	0	118.2
677	P	40	Very low	34.2	Very low	128 Å²	128	130.2 Å²	130.2	83%	0.831	79%	0.787	S	S	*	*			cis	-146	164.8	34	42	-22.8	0	0	0	120.5
678	G	27.4	Very low	34.1	Very low	63 Å²	63	130.4 Å²	130.4	65%	0.649	78%	0.78	S	S	*	*			trans	156.9	89.3	144.5	0	0	0	0	0	119.2
679	D	34	Very low	34.1	Very low	163 Å²	163	131.8 Å²	131.8	87%	0.872	77%	0.773	S	S	*	*			trans	-61.3	146.5	159.1	-95.5	-58.1	0	0	0	111.5
680	P	40.2	Very low	34.2	Very low	120 Å²	120	131.6 Å²	131.6	78%	0.779	76%	0.764	S	S	*	*				-137.7	149.9	100.9	37.9	-28	0	0	0	115.3
681	K	40.3	Very low	33.8	Very low	175 Å²	175	132.7 Å²	132.7	76%	0.761	77%	0.766	S	S	*	*			trans	-40	141.3	167.6	-67.6	176.4	170.1	-172.7	0	114.1
682	S	32.3	Very low	33.4	Very low	114 Å²	114	133 Å²	133	80%	0.797	77%	0.766	S	S	*	*			trans	-110.9	105.8	150.7	59.8	0	0	0	0	109.8	D684	S682-D684 PolarHBondContact O-N 3.48Å; S682-D684 VanDerWaalsContact O-N 3.15Å
683	D	30.6	Very low	33.8	Very low	123 Å²	123	134.4 Å²	134.4	66%	0.658	76%	0.756	S	S	*	*			trans	-69.2	103.7	169.6	-78.4	-83.3	0	0	0	109.8	S685	D683-S685 VanDerWaalsContact C-N 3.25Å; D683-S685 PolarHBondContact O-N 3.31Å; D683-S685 PolarHBondContact O-OG 3.25Å; D683-S685 VanDerWaalsContact O-OG 3.1Å
684	D	31.6	Very low	34	Very low	168 Å²	168	129.7 Å²	129.7	90%	0.898	75%	0.746	S	S	*	*			trans	-72.1	84.4	173	-148	-36.2	0	0	0	108.7	S682	S682-D684 PolarHBondContact O-N 3.48Å; S682-D684 VanDerWaalsContact O-N 3.15Å
685	S	33.8	Very low	33.7	Very low	87 Å²	87	132.1 Å²	132.1	61%	0.608	75%	0.749	S	S	*	*			trans	-87.4	118.4	-167.5	24	0	0	0	0	110.3	D683 V687	D683-S685 VanDerWaalsContact C-N 3.25Å; D683-S685 PolarHBondContact O-N 3.31Å; D683-S685 PolarHBondContact O-OG 3.25Å; D683-S685 VanDerWaalsContact O-OG 3.1Å; S685-V687 VanDerWaalsContact O-CG2 3.29Å; S685-V687 WeakPolarHBondContact O-CG2 3.29Å; S685-V687 PolarHBondContact O-N 2.87Å
686	D	36.5	Very low	33.3	Very low	163 Å²	163	131.5 Å²	131.5	87%	0.872	75%	0.747	S	S	*	*			trans	-61.1	110.3	-179.3	-157.8	-4.6	0	0	0	109.9	D688	D686-D688 VanDerWaalsContact C-N 3.3Å; D686-D688 PolarHBondContact O-N 3.01Å
687	V	31.2	Very low	33.7	Very low	120 Å²	120	131.5 Å²	131.5	73%	0.727	75%	0.753	S	S	*	*			trans	-82.1	79.1	-170	-163	0	0	0	0	109.4	S685 V689	S685-V687 VanDerWaalsContact O-CG2 3.29Å; S685-V687 WeakPolarHBondContact O-CG2 3.29Å; S685-V687 PolarHBondContact O-N 2.87Å; V687-V689 HydrophobicContact CG1-CG2 3.8Å; V687-V689 PolarHBondContact O-N 2.9Å
688	D	34.9	Very low	33.5	Very low	142 Å²	142	131.3 Å²	131.3	76%	0.759	75%	0.752	S	S	*	*			trans	-73.1	74.7	-177.9	-155.3	-3.4	0	0	0	111.5	D686 C690	D686-D688 VanDerWaalsContact C-N 3.3Å; D686-D688 PolarHBondContact O-N 3.01Å; D688-C690 VanDerWaalsContact C-N 3.32Å; D688-C690 PolarHBondContact O-N 2.81Å
689	V	31.6	Very low	33.8	Very low	106 Å²	106	137.6 Å²	137.6	64%	0.642	76%	0.764	S	S	*	*			trans	-71.3	87.5	-179.5	-175.2	0	0	0	0	110	V687 F691	V687-V689 HydrophobicContact CG1-CG2 3.8Å; V687-V689 PolarHBondContact O-N 2.9Å; V689-F691 PolarHBondContact O-N 2.82Å
690	C	31.3	Very low	33.8	Very low	101 Å²	101	134.6 Å²	134.6	68%	0.682	76%	0.761	S	S	*	*			trans	-51.2	120.5	171.2	-73.1	0	0	0	0	111.4	D688 T692	D688-C690 VanDerWaalsContact C-N 3.32Å; D688-C690 PolarHBondContact O-N 2.81Å; C690-T692 PolarHBondContact O-N 3.04Å
691	F	27	Very low	33.3	Very low	199 Å²	199	134.1 Å²	134.1	87%	0.873	77%	0.768	S	S	*	*			trans	-80.3	103.3	175.1	-102.2	-98.2	0	0	0	111	V689	V689-F691 PolarHBondContact O-N 2.82Å
692	T	33.6	Very low	32.8	Very low	135 Å²	135	129.5 Å²	129.5	83%	0.828	77%	0.77	S	S	*	*			trans	-93.6	93.4	166.1	46	0	0	0	0	110.9	C690 D694	C690-T692 PolarHBondContact O-N 3.04Å; T692-D694 PolarHBondContact O-N 3.14Å
693	D	34.4	Very low	32.7	Very low	104 Å²	104	128.1 Å²	128.1	56%	0.556	77%	0.773	S	S	*	*			trans	-76.8	106	159.6	-116.1	-59.6	0	0	0	107.3	R585	R585-D693 IonicContact CZ-OD1 3.73Å; R585-D693 IonicContact CZ-OD2 3.86Å; R585-D693 VanDerWaalsContact CZ-OD2 3.26Å; R585-D693 IonicContact NH1-OD1 2.75Å; R585-D693 PolarHBondContact NH1-OD1 3.32Å; R585-D693 IonicContact NH1-OD2 3.1Å; R585-D693 PolarHBondContact NH1-OD2 3.5Å; R585-D693 IonicContact NH2-OD1 2.74Å; R585-D693 IonicContact NH2-OD2 3.37Å; R585-D693 PolarHBondContact NH2-OD2 3.02Å
694	D	32	Very low	32.6	Very low	129 Å²	129	126 Å²	126	69%	0.69	78%	0.781	S	S	*	*			trans	-167.1	162.3	130.3	-141.3	-142.8	0	0	0	115.8	T692	T692-D694 PolarHBondContact O-N 3.14Å
695	Q	34.8	Very low	32.7	Very low	154 Å²	154	125.1 Å²	125.1	72%	0.72	77%	0.772	S	S	*	*			trans	-43	168.7	-179.3	-59.6	158.3	82.4	0	0	117.1
696	S	31.4	Very low	32.7	Very low	104 Å²	104	130.8 Å²	130.8	73%	0.727	78%	0.78	S	S	*	*			cis	-164.7	158.8	37.4	-43.8	0	0	0	0	114.1
697	D	38.4	Very low	32.7	Very low	164 Å²	164	129.9 Å²	129.9	88%	0.877	78%	0.775	S	S	*	*			trans	-77.3	146.2	154.3	-71.7	-62.9	0	0	0	111
698	P	36.5	Very low	32.9	Very low	124 Å²	124	135.9 Å²	135.9	81%	0.805	80%	0.801	S	S	*	*			trans	-135	132.6	148.9	35.1	-21.1	0	0	0	113.7
699	E	33.8	Very low	32.8	Very low	195 Å²	195	135.6 Å²	135.6	91%	0.911	80%	0.804	S	S	*	*			trans	-96.2	153.9	166.1	-79.7	-151.1	105.4	0	0	112.9
700	A	34.6	Very low	32.9	Very low	99 Å²	99	137.1 Å²	137.1	82%	0.818	81%	0.812	S	S	*	*			trans	65.7	80.3	149.7	0	0	0	0	0	120.9
701	A	29.7	Very low	32.9	Very low	110 Å²	110	139.1 Å²	139.1	91%	0.909	82%	0.819	S	S	*	*			trans	-171.7	156	140.2	0	0	0	0	0	110
702	G	28.9	Very low	33.3	Very low	78 Å²	78	135.6 Å²	135.6	80%	0.804	82%	0.816	S	S	*	*			cis	160.2	70.2	-4.6	0	0	0	0	0	114.6
703	G	29.4	Very low	33.3	Very low	85 Å²	85	135.6 Å²	135.6	88%	0.876	82%	0.815	S	S	*	*			trans	84.3	168.6	175.1	0	0	0	0	0	115.3
704	G	29.5	Very low	33.2	Very low	80 Å²	80	137.7 Å²	137.7	83%	0.825	83%	0.833	S	S	*	*			trans	130.2	54.7	172.1	0	0	0	0	0	118.1
705	E	34.4	Very low	33.3	Very low	148 Å²	148	138.4 Å²	138.4	69%	0.692	84%	0.843	S	S	*	*			trans	-17.3	123.8	144.8	-166.7	-159.4	110	0	0	116.5
706	R	33.6	Very low	33.2	Very low	207 Å²	207	137.2 Å²	137.2	78%	0.781	85%	0.852	S	S	*	*				170.1	160.6	123.2	-93.2	165	-156.3	168.2	13	116.6
707	D	35.3	Very low	33.3	Very low	143 Å²	143	139.9 Å²	139.9	77%	0.765	86%	0.863	S	S	*	*			trans	-68.1	149.9	-179	-40.4	-104	0	0	0	114.3
708	L	35.6	Very low	32.8	Very low	246 Å²	246	137.7 Å²	137.7	100%	1.288	86%	0.861	S	S	*	*				-168.7	0	108.7	-98.2	165.6	0	0	0	111.8

Retrieved 708 of 708 residues in 101 ms (Link to these results)

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