ZBT16_HUMAN Loading...

Zinc finger and BTB domain-containing protein 16

Acts as a transcriptional repressor^1,2. Transcriptional repression may be mediated through recruitment of histone deacetylases to target promoters³. May play a role in myeloid maturation and in the development and/or maintenance of other differentiated tissues. Probable substrate-recognition component of an E3 ubiquitin-protein ligase complex which mediates the ubiquitination and subsequent proteasomal degradation of target proteins⁴.

AlphaFold DB , UniProt , Accession Q05516, Species HUMAN (Homo sapiens, Human), Gene ZBTB16, Length 673 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.3	Very low	37.2	Very low	197 Å²	197	116.8 Å²	116.8	97%	0.97	62%	0.615	S	S	*	*				0	139.6	0	-78.9	157.3	56.2	0	0	107.7	L3	M1-L3 PolarHBondContact O-N 2.71Å
2	D	25.7	Very low	37.5	Very low	135 Å²	135	120.6 Å²	120.6	72%	0.722	63%	0.627	S	S	*	*			trans	-62.8	115.8	172.1	-91.7	-44.4	0	0	0	110.1	T4	D2-T4 PolarHBondContact O-N 3.41Å
3	L	29.3	Very low	37.6	Very low	138 Å²	138	121.3 Å²	121.3	72%	0.723	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-68.2	-14.6	175.8	-74.3	89.1	0	0	0	112.4	M1 K5 M6	M1-L3 PolarHBondContact O-N 2.71Å; L3-K5 PolarHBondContact O-N 3.35Å; L3-K5 VanDerWaalsContact O-N 3.14Å; L3-M6 PolarHBondContact O-N 3.08Å
4	T	35	Very low	37.7	Very low	124 Å²	124	117.6 Å²	117.6	76%	0.761	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-73.6	-0.4	-173.9	51.6	0	0	0	0	114.9	D2	D2-T4 PolarHBondContact O-N 3.41Å
5	K	38.8	Very low	38	Very low	191 Å²	191	116 Å²	116	83%	0.83	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-103.3	17.9	175.1	-79.2	-176.2	175.5	175.1	0	114.4	L3 G7	L3-K5 PolarHBondContact O-N 3.35Å; L3-K5 VanDerWaalsContact O-N 3.14Å; K5-G7 PolarHBondContact O-N 2.93Å
6	M	34.7	Very low	38.8	Very low	83 Å²	83	115.5 Å²	115.5	41%	0.409	61%	0.614	S	S	.	*			trans	-57.8	125	170.6	-78.3	-177.1	176.9	0	0	111.3	L3 M8 D35	L3-M6 PolarHBondContact O-N 3.08Å; M6-M8 PolarHBondContact O-N 3.4Å; M6-D35 HydrophobicContact CE-CB 4.41Å
7	G	42.1	Very low	39.6	Very low	56 Å²	56	109.4 Å²	109.4	58%	0.577	58%	0.582	S	S	*	*			trans	-81.6	96.8	173.6	0	0	0	0	0	110.7	K5 I9	K5-G7 PolarHBondContact O-N 2.93Å; G7-I9 PolarHBondContact O-N 3.36Å
8	M	40.6	Very low	40.4	Very low	153 Å²	153	106.9 Å²	106.9	75%	0.754	57%	0.572	S	S	*	*			trans	-65	129.1	174.9	-59.7	-153.4	-54.7	0	0	111.1	M6	M6-M8 PolarHBondContact O-N 3.4Å
9	I	47.6	Very low	41.3	Very low	25 Å²	25	103.6 Å²	103.6	13%	0.128	57%	0.565	C	S	.	*	B	Isolated β-bridge	trans	-106.7	89.4	172.7	-50.8	-175.4	0	0	0	108.6	G7 L11 K23 M27 V36	G7-I9 PolarHBondContact O-N 3.36Å; I9-L11 HydrophobicContact CG2-CD2 4.35Å; I9-L11 HydrophobicContact CG2-CG 4.17Å; I9-L11 PolarHBondContact O-N 2.85Å; I9-K23 HydrophobicContact CD1-CG 3.89Å; I9-K23 HydrophobicContact CG2-CG 4.45Å; I9-M27 HydrophobicContact CD1-CE 3.57Å; I9-M27 HydrophobicContact CD1-SD 3.7Å; I9-V36 HydrophobicContact CD1-CG1 3.38Å; I9-V36 HydrophobicContact CG1-CG1 3.96Å
10	Q	42.7	Very low	42	Very low	122 Å²	122	99.5 Å²	99.5	57%	0.57	54%	0.543	S	S	*	.			trans	-81.1	94.9	175	-172.4	157.7	33.8	0	0	110	Q12 M39	Q10-Q12 HydrophobicContact CG-CG 4.29Å; Q10-Q12 PolarHBondContact O-N 2.79Å; Q10-Q12 VanDerWaalsContact O-N 3.07Å; Q10-M39 HydrophobicContact CB-CE 4.28Å; Q10-M39 HydrophobicContact CG-CE 3.7Å
11	L	42.1	Very low	42.8	Very low	61 Å²	61	96.2 Å²	96.2	32%	0.319	53%	0.525	S	S	.	.			trans	-77.4	83.2	172.8	-69.2	166.8	0	0	0	110	I9 N13 L20 I38	I9-L11 HydrophobicContact CG2-CD2 4.35Å; I9-L11 HydrophobicContact CG2-CG 4.17Å; I9-L11 PolarHBondContact O-N 2.85Å; L11-N13 PolarHBondContact O-N 3.31Å; L11-L20 HydrophobicContact CD1-CD1 3.54Å; L11-L20 HydrophobicContact CD1-CG 4.2Å; L11-I38 HydrophobicContact CD1-CG2 3.94Å
12	Q	40.7	Very low	44.2	Very low	162 Å²	162	91 Å²	91	76%	0.757	51%	0.507	S	S	*	.	S	Bend	trans	-72.2	118.4	163.4	-77.3	179.8	-12.1	0	0	109	Q10	Q10-Q12 HydrophobicContact CG-CG 4.29Å; Q10-Q12 PolarHBondContact O-N 2.79Å; Q10-Q12 VanDerWaalsContact O-N 3.07Å
13	N	39.8	Very low	45.7	Very low	130 Å²	130	88.9 Å²	88.9	70%	0.695	49%	0.491	S	S	*	.			trans	65.6	116.1	-168.7	-70.4	-45.5	0	0	0	115.2	L11 S15	L11-N13 PolarHBondContact O-N 3.31Å; N13-S15 PolarHBondContact O-N 3.32Å; N13-S15 VanDerWaalsContact O-N 3.12Å
14	P	38.7	Very low	46.9	Very low	69 Å²	69	82.6 Å²	82.6	45%	0.448	46%	0.459	S	S	.	.			trans	-74	8.5	173.9	13.4	-6.3	0	0	0	114.5	H16 P77	P14-H16 PolarHBondContact O-N 3.2Å; P14-P77 HydrophobicContact CG-CG 4.45Å
15	S	41.8	Very low	47.9	Very low	94 Å²	94	78.4 Å²	78.4	66%	0.657	43%	0.432	S	S	*	.			trans	-76	19.1	-165.7	66	0	0	0	0	116.1	N13	N13-S15 PolarHBondContact O-N 3.32Å; N13-S15 VanDerWaalsContact O-N 3.12Å
16	H	51.4	Low	49.1	Very low	108 Å²	108	74.7 Å²	74.7	50%	0.5	42%	0.417	S	S	.	.			trans	-159	97.5	169.5	-131.2	-39	0	0	0	112.5	P14 T18 G19 D73	P14-H16 PolarHBondContact O-N 3.2Å; H16-T18 PolarHBondContact CE1-OG1 2.94Å; H16-T18 PolarHBondContact ND1-OG1 2.76Å; H16-T18 PolarHBondContact O-N 2.84Å; H16-T18 VanDerWaalsContact O-N 3.11Å; H16-G19 PolarHBondContact O-N 3.27Å; H16-D73 IonicContact CE1-OD1 3.29Å; H16-D73 PolarHBondContact CE1-OD1 2.9Å; H16-D73 IonicContact ND1-OD1 3.38Å; H16-D73 IonicContact NE2-OD1 3.72Å
17	P	51.7	Low	50	Low	12 Å²	12	71.8 Å²	71.8	8%	0.078	40%	0.403	C	S	.	.	H	α-helix	trans	-61.5	-22.8	177.5	-23.4	33.7	0	0	0	113.4	G19 L20 L21 F59 L72	P17-G19 VanDerWaalsContact C-N 3.25Å; P17-G19 PolarHBondContact O-N 2.65Å; P17-L20 WeakPolarHBondContact O-CB 3.09Å; P17-L20 PolarHBondContact O-N 3.41Å; P17-L20 VanDerWaalsContact O-N 3.08Å; P17-L21 PolarHBondContact O-N 2.6Å; P17-F59 HydrophobicContact CB-CE1 4.04Å; P17-F59 HydrophobicContact CB-CZ 4.08Å; P17-L72 HydrophobicContact CB-CB 3.97Å; P17-L72 HydrophobicContact CB-CD1 4.26Å; P17-L72 HydrophobicContact CB-CD2 4.06Å; P17-L72 HydrophobicContact CB-CG 4.32Å; P17-L72 HydrophobicContact CG-CB 3.99Å; P17-L72 WeakPolarHBondContact CG-O 3.46Å
18	T	54.6	Low	50.4	Low	65 Å²	65	75.1 Å²	75.1	40%	0.399	40%	0.398	S	S	.	.	H	α-helix	trans	-57.1	-36.1	173	-38.9	0	0	0	0	112.7	H16 L20 C22 L72	H16-T18 PolarHBondContact CE1-OG1 2.94Å; H16-T18 PolarHBondContact ND1-OG1 2.76Å; H16-T18 PolarHBondContact O-N 2.84Å; H16-T18 VanDerWaalsContact O-N 3.11Å; T18-L20 VanDerWaalsContact C-N 3.33Å; T18-C22 VanDerWaalsContact O-CB 3.24Å; T18-C22 WeakPolarHBondContact O-CB 3.16Å; T18-C22 PolarHBondContact O-N 3.25Å; T18-L72 WeakPolarHBondContact OG1-CD1 3.47Å
19	G	56.7	Low	51.1	Low	43 Å²	43	74.9 Å²	74.9	44%	0.443	40%	0.399	S	S	.	.	H	α-helix	trans	-65.2	-39.9	175.8	0	0	0	0	0	111.7	H16 P17 C22 K23	H16-G19 PolarHBondContact O-N 3.27Å; P17-G19 VanDerWaalsContact C-N 3.25Å; P17-G19 PolarHBondContact O-N 2.65Å; G19-C22 PolarHBondContact O-N 3.22Å; G19-K23 VanDerWaalsContact O-CB 3.3Å; G19-K23 WeakPolarHBondContact O-CB 3.38Å; G19-K23 PolarHBondContact O-N 3.34Å
20	L	55.6	Low	51.5	Low	22 Å²	22	76.4 Å²	76.4	12%	0.115	42%	0.416	C	S	.	.	H	α-helix	trans	-69.8	-43.5	177.8	-146.7	158.3	0	0	0	111.2	L11 P17 T18 C22 K23 A24 F80	L11-L20 HydrophobicContact CD1-CD1 3.54Å; L11-L20 HydrophobicContact CD1-CG 4.2Å; P17-L20 WeakPolarHBondContact O-CB 3.09Å; P17-L20 PolarHBondContact O-N 3.41Å; P17-L20 VanDerWaalsContact O-N 3.08Å; T18-L20 VanDerWaalsContact C-N 3.33Å; L20-C22 PolarHBondContact O-N 3Å; L20-K23 PolarHBondContact O-N 2.85Å; L20-A24 VanDerWaalsContact O-CB 3.27Å; L20-A24 WeakPolarHBondContact O-CB 3.34Å; L20-A24 PolarHBondContact O-N 3.24Å; L20-F80 HydrophobicContact CD1-CE1 3.62Å; L20-F80 HydrophobicContact CD1-CE2 4.22Å; L20-F80 HydrophobicContact CD1-CZ 3.31Å; L20-F80 HydrophobicContact CD2-CZ 4.13Å; L20-F80 HydrophobicContact CG-CZ 4.33Å
21	L	58.5	Low	51.7	Low	31 Å²	31	72.5 Å²	72.5	16%	0.162	41%	0.408	C	S	.	.	H	α-helix	trans	-62	-39.9	173.2	-178.6	61.3	0	0	0	112.6	P17 N25 F59	P17-L21 PolarHBondContact O-N 2.6Å; L21-N25 WeakPolarHBondContact CD1-ND2 3.48Å; L21-N25 WeakPolarHBondContact O-CB 3.47Å; L21-N25 PolarHBondContact O-N 3.29Å; L21-N25 PolarHBondContact O-ND2 3.45Å; L21-F59 HydrophobicContact CD1-CB 3.66Å; L21-F59 HydrophobicContact CD1-CD2 4.15Å; L21-F59 HydrophobicContact CD1-CG 4.23Å; L21-F59 HydrophobicContact CD2-CB 4.05Å; L21-F59 HydrophobicContact CG-CB 4.38Å
22	C	59.4	Low	52	Low	88 Å²	88	74.5 Å²	74.5	60%	0.595	42%	0.423	S	S	*	.	H	α-helix	trans	-65.8	-44.3	175.8	-170.7	0	0	0	0	111	T18 G19 L20 N25 Q26	T18-C22 VanDerWaalsContact O-CB 3.24Å; T18-C22 WeakPolarHBondContact O-CB 3.16Å; T18-C22 PolarHBondContact O-N 3.25Å; G19-C22 PolarHBondContact O-N 3.22Å; L20-C22 PolarHBondContact O-N 3Å; C22-N25 PolarHBondContact O-N 3.31Å; C22-Q26 WeakPolarHBondContact O-CB 3.42Å; C22-Q26 PolarHBondContact O-N 3.47Å
23	K	58	Low	52	Low	89 Å²	89	67.6 Å²	67.6	39%	0.387	39%	0.391	S	S	.	.	H	α-helix	trans	-65.8	-42.5	176.9	-163.8	71.2	173.9	-177.4	0	112.2	I9 G19 L20 Q26 M27	I9-K23 HydrophobicContact CD1-CG 3.89Å; I9-K23 HydrophobicContact CG2-CG 4.45Å; G19-K23 VanDerWaalsContact O-CB 3.3Å; G19-K23 WeakPolarHBondContact O-CB 3.38Å; G19-K23 PolarHBondContact O-N 3.34Å; L20-K23 PolarHBondContact O-N 2.85Å; K23-Q26 WeakPolarHBondContact O-CB 3.33Å; K23-Q26 PolarHBondContact O-N 3.31Å; K23-M27 WeakPolarHBondContact O-CG 3.39Å; K23-M27 PolarHBondContact O-N 3.49Å
24	A	55.4	Low	52.2	Low	6 Å²	6	65 Å²	65	5%	0.05	38%	0.382	C	S	.	.	H	α-helix	trans	-62.3	-45.5	175.3	0	0	0	0	0	111.2	L20 M27 R28 L52	L20-A24 VanDerWaalsContact O-CB 3.27Å; L20-A24 WeakPolarHBondContact O-CB 3.34Å; L20-A24 PolarHBondContact O-N 3.24Å; A24-M27 PolarHBondContact O-N 3Å; A24-R28 WeakPolarHBondContact O-CB 3.47Å; A24-R28 PolarHBondContact O-N 3.07Å; A24-L52 HydrophobicContact CB-CD2 4.23Å
25	N	55.8	Low	52.8	Low	36 Å²	36	64.9 Å²	64.9	19%	0.193	38%	0.378	C	S	.	.	H	α-helix	trans	-64.9	-39.5	173.5	-84.6	-70.7	0	0	0	112.7	L21 C22 M27 R28 L29 S56	L21-N25 WeakPolarHBondContact CD1-ND2 3.48Å; L21-N25 WeakPolarHBondContact O-CB 3.47Å; L21-N25 PolarHBondContact O-N 3.29Å; L21-N25 PolarHBondContact O-ND2 3.45Å; C22-N25 PolarHBondContact O-N 3.31Å; N25-M27 VanDerWaalsContact C-N 3.34Å; N25-M27 PolarHBondContact O-N 2.82Å; N25-R28 PolarHBondContact O-N 3.48Å; N25-R28 PolarHBondContact OD1-NH2 3.24Å; N25-L29 WeakPolarHBondContact O-CB 3.37Å; N25-L29 VanDerWaalsContact O-CG 3.23Å; N25-L29 WeakPolarHBondContact O-CG 3.4Å; N25-L29 PolarHBondContact O-N 3.37Å; N25-S56 PolarHBondContact ND2-OG 3.1Å
26	Q	62.6	Low	53.4	Low	113 Å²	113	60.8 Å²	60.8	53%	0.528	35%	0.349	S	S	.	.	H	α-helix	trans	-58.3	-45.5	174.4	-176.7	179.5	51.3	0	0	111.1	C22 K23 L29 A30	C22-Q26 WeakPolarHBondContact O-CB 3.42Å; C22-Q26 PolarHBondContact O-N 3.47Å; K23-Q26 WeakPolarHBondContact O-CB 3.33Å; K23-Q26 PolarHBondContact O-N 3.31Å; Q26-L29 PolarHBondContact O-N 2.89Å; Q26-A30 VanDerWaalsContact O-CB 3.27Å; Q26-A30 WeakPolarHBondContact O-CB 3.49Å; Q26-A30 PolarHBondContact O-N 2.92Å
27	M	53.5	Low	53.5	Low	23 Å²	23	56.5 Å²	56.5	11%	0.113	33%	0.33	C	S	.	.	H	α-helix	trans	-73.8	-35.1	178.6	-64.8	-173.2	-59.5	0	0	113.4	I9 K23 A24 N25 L29 A30 G31 L33 V36 L52	I9-M27 HydrophobicContact CD1-CE 3.57Å; I9-M27 HydrophobicContact CD1-SD 3.7Å; K23-M27 WeakPolarHBondContact O-CG 3.39Å; K23-M27 PolarHBondContact O-N 3.49Å; A24-M27 PolarHBondContact O-N 3Å; N25-M27 VanDerWaalsContact C-N 3.34Å; N25-M27 PolarHBondContact O-N 2.82Å; M27-L29 VanDerWaalsContact C-N 3.28Å; M27-L29 PolarHBondContact O-N 3.28Å; M27-A30 PolarHBondContact O-N 2.79Å; M27-G31 PolarHBondContact O-N 3.25Å; M27-L33 HydrophobicContact CB-CD1 4.36Å; M27-L33 HydrophobicContact CB-CD2 3.63Å; M27-L33 HydrophobicContact CB-CG 3.97Å; M27-L33 HydrophobicContact CE-CD2 4.04Å; M27-L33 HydrophobicContact CG-CD2 4.41Å; M27-L33 HydrophobicContact SD-CD2 4.03Å; M27-V36 HydrophobicContact CE-CG1 4.13Å; M27-V36 HydrophobicContact CE-CG2 3.8Å; M27-V36 HydrophobicContact SD-CG2 3.72Å; M27-L52 HydrophobicContact CE-CD1 3.92Å; M27-L52 HydrophobicContact CE-CD2 4.4Å
28	R	50.4	Low	53.7	Low	125 Å²	125	56.1 Å²	56.1	47%	0.472	33%	0.328	S	S	.	.	H	α-helix	trans	-57.3	-44.1	170.9	-176.3	172.8	73.4	154.9	-12	110.6	A24 N25 E60	A24-R28 WeakPolarHBondContact O-CB 3.47Å; A24-R28 PolarHBondContact O-N 3.07Å; N25-R28 PolarHBondContact O-N 3.48Å; N25-R28 PolarHBondContact OD1-NH2 3.24Å; R28-E60 IonicContact NH2-OE1 2.77Å; R28-E60 PolarHBondContact NH2-OE1 3.38Å
29	L	55.4	Low	53.5	Low	148 Å²	148	55.7 Å²	55.7	78%	0.775	32%	0.322	S	S	*	.	H	α-helix	trans	-76.3	-27.5	178.7	-68.1	169.3	0	0	0	113.6	N25 Q26 M27	N25-L29 WeakPolarHBondContact O-CB 3.37Å; N25-L29 VanDerWaalsContact O-CG 3.23Å; N25-L29 WeakPolarHBondContact O-CG 3.4Å; N25-L29 PolarHBondContact O-N 3.37Å; Q26-L29 PolarHBondContact O-N 2.89Å; M27-L29 VanDerWaalsContact C-N 3.28Å; M27-L29 PolarHBondContact O-N 3.28Å
30	A	56	Low	53.2	Low	58 Å²	58	54.3 Å²	54.3	48%	0.479	31%	0.305	S	S	.	.	H	α-helix	trans	-78.4	-19	178.3	0	0	0	0	0	113.8	Q26 M27 T32	Q26-A30 VanDerWaalsContact O-CB 3.27Å; Q26-A30 WeakPolarHBondContact O-CB 3.49Å; Q26-A30 PolarHBondContact O-N 2.92Å; M27-A30 PolarHBondContact O-N 2.79Å; A30-T32 HydrophobicContact CB-CG2 4.22Å; A30-T32 PolarHBondContact O-N 3.11Å; A30-T32 VanDerWaalsContact O-N 3.13Å
31	G	48.5	Very low	52.8	Low	40 Å²	40	59 Å²	59	41%	0.412	33%	0.33	S	S	.	.			trans	70.2	3	-179.4	0	0	0	0	0	115.2	M27 L33 R49	M27-G31 PolarHBondContact O-N 3.25Å; G31-L33 VanDerWaalsContact C-N 3.32Å; G31-L33 PolarHBondContact O-N 3.47Å; G31-R49 PolarHBondContact O-NH1 3.41Å; G31-R49 PolarHBondContact O-NH2 3.1Å
32	T	48.1	Very low	52.7	Low	102 Å²	102	63.2 Å²	63.2	63%	0.626	36%	0.362	S	S	*	.			trans	-85.5	10.8	-171.2	53.3	0	0	0	0	115.3	A30 C34	A30-T32 HydrophobicContact CB-CG2 4.22Å; A30-T32 PolarHBondContact O-N 3.11Å; A30-T32 VanDerWaalsContact O-N 3.13Å; T32-C34 PolarHBondContact O-N 3.5Å
33	L	40.9	Very low	52	Low	17 Å²	17	65.2 Å²	65.2	9%	0.089	36%	0.363	C	S	.	.			trans	-76.1	88.5	-170.5	-71	163	0	0	0	112.9	M27 G31 V36 R49 L52	M27-L33 HydrophobicContact CB-CD1 4.36Å; M27-L33 HydrophobicContact CB-CD2 3.63Å; M27-L33 HydrophobicContact CB-CG 3.97Å; M27-L33 HydrophobicContact CE-CD2 4.04Å; M27-L33 HydrophobicContact CG-CD2 4.41Å; M27-L33 HydrophobicContact SD-CD2 4.03Å; G31-L33 VanDerWaalsContact C-N 3.32Å; G31-L33 PolarHBondContact O-N 3.47Å; L33-V36 HydrophobicContact CD2-CG2 3.56Å; L33-R49 HydrophobicContact CB-CG 3.29Å; L33-R49 HydrophobicContact CD1-CG 4.01Å; L33-R49 HydrophobicContact CG-CG 4.26Å; L33-R49 WeakPolarHBondContact O-CD 3.32Å; L33-R49 WeakPolarHBondContact O-CG 3.41Å; L33-R49 PolarHBondContact O-NH1 2.76Å; L33-L52 HydrophobicContact CD2-CD1 3.57Å
34	C	44.3	Very low	51.6	Low	75 Å²	75	67 Å²	67	51%	0.507	37%	0.373	S	S	.	.	S	Bend	trans	-107.7	129.6	147.8	-56.8	0	0	0	0	106.5	T32	T32-C34 PolarHBondContact O-N 3.5Å
35	D	51.3	Low	51.2	Low	68 Å²	68	69.3 Å²	69.3	36%	0.364	38%	0.382	S	S	.	.			trans	27.8	94.1	172.3	-52.5	-34.6	0	0	0	116.9	M6 H48	M6-D35 HydrophobicContact CE-CB 4.41Å; D35-H48 IonicContact OD1-CD2 3.88Å
36	V	52.8	Low	50.9	Low	8 Å²	8	72.8 Å²	72.8	5%	0.048	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	120.1	174.1	173.1	0	0	0	0	109.2	I9 M27 L33 I38 A47 L52	I9-V36 HydrophobicContact CD1-CG1 3.38Å; I9-V36 HydrophobicContact CG1-CG1 3.96Å; M27-V36 HydrophobicContact CE-CG1 4.13Å; M27-V36 HydrophobicContact CE-CG2 3.8Å; M27-V36 HydrophobicContact SD-CG2 3.72Å; L33-V36 HydrophobicContact CD2-CG2 3.56Å; V36-I38 HydrophobicContact CG1-CG1 4.03Å; V36-I38 PolarHBondContact O-N 3.32Å; V36-A47 PolarHBondContact N-O 2.97Å; V36-A47 PolarHBondContact O-N 2.79Å; V36-L52 HydrophobicContact CB-CD1 3.82Å; V36-L52 HydrophobicContact CG1-CD1 4.32Å; V36-L52 HydrophobicContact CG2-CD1 3.62Å
37	V	55	Low	50.6	Low	17 Å²	17	67.6 Å²	67.6	10%	0.103	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	109.6	168.6	-165.7	0	0	0	0	108.8	E44 F45	V37-E44 HydrophobicContact CG1-CB 3.85Å; V37-E44 HydrophobicContact CG1-CG 3.89Å; V37-F45 WeakPolarHBondContact CA-O 3.33Å
38	I	55.1	Low	50.7	Low	4 Å²	4	70.7 Å²	70.7	2%	0.021	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	120.6	168.8	-53.7	-178.4	0	0	0	107	L11 V36 V40 F45 A47 L52 L84	L11-I38 HydrophobicContact CD1-CG2 3.94Å; V36-I38 HydrophobicContact CG1-CG1 4.03Å; V36-I38 PolarHBondContact O-N 3.32Å; I38-V40 HydrophobicContact CG2-CG2 3.99Å; I38-F45 HydrophobicContact CB-CB 4.41Å; I38-F45 PolarHBondContact N-O 3.44Å; I38-F45 PolarHBondContact O-N 3.5Å; I38-A47 HydrophobicContact CD1-CB 3.53Å; I38-A47 HydrophobicContact CG1-CB 3.9Å; I38-L52 HydrophobicContact CD1-CD2 4.3Å; I38-L84 HydrophobicContact CD1-CD2 4.25Å
39	M	49.8	Very low	50.8	Low	56 Å²	56	70.3 Å²	70.3	28%	0.276	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	126.8	168.9	-62.5	-157	-53.5	0	0	110.5	Q10 Q43 E44	Q10-M39 HydrophobicContact CB-CE 4.28Å; Q10-M39 HydrophobicContact CG-CE 3.7Å; M39-Q43 WeakPolarHBondContact CA-O 3.27Å; M39-E44 HydrophobicContact CG-CG 4.24Å; M39-E44 HydrophobicContact SD-CG 4.4Å
40	V	51.8	Low	50.8	Low	15 Å²	15	63.7 Å²	63.7	9%	0.091	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.5	171.1	-174.2	0	0	0	0	107.2	I38 S42 Q43 F45	I38-V40 HydrophobicContact CG2-CG2 3.99Å; V40-S42 PolarHBondContact O-N 3.3Å; V40-S42 VanDerWaalsContact O-N 3.1Å; V40-Q43 PolarHBondContact N-O 3.09Å; V40-Q43 WeakPolarHBondContact O-CA 3.26Å; V40-Q43 WeakPolarHBondContact O-CB 3.47Å; V40-Q43 PolarHBondContact O-N 3.39Å; V40-F45 HydrophobicContact CB-CD2 4.26Å; V40-F45 HydrophobicContact CB-CE2 4.01Å; V40-F45 HydrophobicContact CG2-CD2 4.18Å; V40-F45 HydrophobicContact CG2-CE2 4.32Å
41	D	47.3	Very low	50.9	Low	120 Å²	120	61 Å²	61	64%	0.642	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	39.4	179.3	-62.1	-17	0	0	0	115.5	Q43	D41-Q43 VanDerWaalsContact C-N 3.28Å; D41-Q43 PolarHBondContact O-N 3.49Å
42	S	55.1	Low	51.5	Low	120 Å²	120	59.5 Å²	59.5	84%	0.839	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	8	-176.1	-33.1	0	0	0	0	115.7	V40	V40-S42 PolarHBondContact O-N 3.3Å; V40-S42 VanDerWaalsContact O-N 3.1Å
43	Q	44.6	Very low	51.9	Low	130 Å²	130	56.8 Å²	56.8	61%	0.607	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	132.2	174.9	-166	155.7	11.3	0	0	110.7	M39 V40 D41 F45	M39-Q43 WeakPolarHBondContact CA-O 3.27Å; V40-Q43 PolarHBondContact N-O 3.09Å; V40-Q43 WeakPolarHBondContact O-CA 3.26Å; V40-Q43 WeakPolarHBondContact O-CB 3.47Å; V40-Q43 PolarHBondContact O-N 3.39Å; D41-Q43 VanDerWaalsContact C-N 3.28Å; D41-Q43 PolarHBondContact O-N 3.49Å; Q43-F45 HydrophobicContact CB-CE2 4.14Å; Q43-F45 HydrophobicContact CG-CE2 4.17Å
44	E	49.2	Very low	52.7	Low	127 Å²	127	56.5 Å²	56.5	59%	0.593	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	125.7	-178.8	-67.2	-174.6	171.4	0	0	111.5	V37 M39	V37-E44 HydrophobicContact CG1-CB 3.85Å; V37-E44 HydrophobicContact CG1-CG 3.89Å; M39-E44 HydrophobicContact CG-CG 4.24Å; M39-E44 HydrophobicContact SD-CG 4.4Å
45	F	47.5	Very low	53.4	Low	54 Å²	54	53 Å²	53	24%	0.237	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	119.9	172.3	-68.2	-96.3	0	0	0	109.5	V37 I38 V40 Q43 A47	V37-F45 WeakPolarHBondContact CA-O 3.33Å; I38-F45 HydrophobicContact CB-CB 4.41Å; I38-F45 PolarHBondContact N-O 3.44Å; I38-F45 PolarHBondContact O-N 3.5Å; V40-F45 HydrophobicContact CB-CD2 4.26Å; V40-F45 HydrophobicContact CB-CE2 4.01Å; V40-F45 HydrophobicContact CG2-CD2 4.18Å; V40-F45 HydrophobicContact CG2-CE2 4.32Å; Q43-F45 HydrophobicContact CB-CE2 4.14Å; Q43-F45 HydrophobicContact CG-CE2 4.17Å; F45-A47 PolarHBondContact O-N 3.49Å
46	H	50.7	Low	54	Low	108 Å²	108	49.9 Å²	49.9	50%	0.5	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	100.4	170.3	-70.4	-2.9	0	0	0	109.7
47	A	54.8	Low	54.3	Low	5 Å²	5	53 Å²	53	4%	0.041	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	113.4	177	0	0	0	0	0	110.6	V36 I38 F45 V51 L52	V36-A47 PolarHBondContact N-O 2.97Å; V36-A47 PolarHBondContact O-N 2.79Å; I38-A47 HydrophobicContact CD1-CB 3.53Å; I38-A47 HydrophobicContact CG1-CB 3.9Å; F45-A47 PolarHBondContact O-N 3.49Å; A47-V51 HydrophobicContact CB-CG1 4.49Å; A47-L52 HydrophobicContact CB-CD1 4.31Å; A47-L52 HydrophobicContact CB-CD2 4.48Å; A47-L52 HydrophobicContact CB-CG 4.07Å
48	H	56.2	Low	54.6	Low	88 Å²	88	52.6 Å²	52.6	41%	0.407	27%	0.268	S	S	.	.			trans	-69.2	162.2	174.9	-152.7	-116	0	0	0	111.4	D35 T50 V51 L52	D35-H48 IonicContact OD1-CD2 3.88Å; H48-T50 PolarHBondContact ND1-OG1 2.87Å; H48-T50 PolarHBondContact O-N 3.1Å; H48-T50 VanDerWaalsContact O-N 3.15Å; H48-V51 HydrophobicContact CB-CG2 4.21Å; H48-V51 PolarHBondContact O-N 3.44Å; H48-V51 VanDerWaalsContact O-N 3.07Å; H48-L52 PolarHBondContact O-N 2.88Å; H48-L52 VanDerWaalsContact O-N 3.12Å
49	R	53.2	Low	54.9	Low	116 Å²	116	52.7 Å²	52.7	44%	0.438	27%	0.269	S	S	.	.	H	α-helix	trans	-45.9	-46.4	173.4	-92.8	-179.1	129.7	114.3	-5.8	112.3	G31 L33 L52 A53	G31-R49 PolarHBondContact O-NH1 3.41Å; G31-R49 PolarHBondContact O-NH2 3.1Å; L33-R49 HydrophobicContact CB-CG 3.29Å; L33-R49 HydrophobicContact CD1-CG 4.01Å; L33-R49 HydrophobicContact CG-CG 4.26Å; L33-R49 WeakPolarHBondContact O-CD 3.32Å; L33-R49 WeakPolarHBondContact O-CG 3.41Å; L33-R49 PolarHBondContact O-NH1 2.76Å; R49-L52 PolarHBondContact O-N 3.2Å; R49-A53 PolarHBondContact O-N 2.64Å
50	T	53.9	Low	55.3	Low	9 Å²	9	53 Å²	53	6%	0.055	27%	0.27	C	S	.	.	H	α-helix	trans	-62.1	-49.3	-179.1	-29.8	0	0	0	0	111.1	H48 L52 A53 C54 T91 L103	H48-T50 PolarHBondContact ND1-OG1 2.87Å; H48-T50 PolarHBondContact O-N 3.1Å; H48-T50 VanDerWaalsContact O-N 3.15Å; T50-L52 VanDerWaalsContact C-N 3.3Å; T50-L52 PolarHBondContact O-N 3.17Å; T50-A53 WeakPolarHBondContact O-CB 3.42Å; T50-A53 PolarHBondContact O-N 2.86Å; T50-C54 PolarHBondContact O-N 2.95Å; T50-C54 PolarHBondContact O-SG 2.96Å; T50-T91 HydrophobicContact CG2-CG2 3.67Å; T50-L103 HydrophobicContact CG2-CD1 4.49Å
51	V	58.8	Low	55.6	Low	3 Å²	3	53.2 Å²	53.2	2%	0.018	27%	0.27	C	S	.	.	H	α-helix	trans	-58.9	-40.4	178.7	-176.2	0	0	0	0	111.6	A47 H48 T55 L84 A87 Y88 T91	A47-V51 HydrophobicContact CB-CG1 4.49Å; H48-V51 HydrophobicContact CB-CG2 4.21Å; H48-V51 PolarHBondContact O-N 3.44Å; H48-V51 VanDerWaalsContact O-N 3.07Å; V51-T55 HydrophobicContact CG1-CG2 4.44Å; V51-T55 WeakPolarHBondContact O-CB 3.49Å; V51-T55 WeakPolarHBondContact O-CG2 3.44Å; V51-T55 PolarHBondContact O-N 3.45Å; V51-T55 PolarHBondContact O-OG1 3.09Å; V51-L84 HydrophobicContact CG1-CD2 4.04Å; V51-A87 HydrophobicContact CG1-CB 4.16Å; V51-Y88 HydrophobicContact CG2-CD2 4.18Å; V51-T91 HydrophobicContact CG2-CG2 4.2Å
52	L	61.1	Low	56	Low	8 Å²	8	49.3 Å²	49.3	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-71.3	-30.5	176.6	-75.7	165.9	0	0	0	113.2	A24 M27 L33 V36 I38 A47 H48 R49 T50 T55 S56	A24-L52 HydrophobicContact CB-CD2 4.23Å; M27-L52 HydrophobicContact CE-CD1 3.92Å; M27-L52 HydrophobicContact CE-CD2 4.4Å; L33-L52 HydrophobicContact CD2-CD1 3.57Å; V36-L52 HydrophobicContact CB-CD1 3.82Å; V36-L52 HydrophobicContact CG1-CD1 4.32Å; V36-L52 HydrophobicContact CG2-CD1 3.62Å; I38-L52 HydrophobicContact CD1-CD2 4.3Å; A47-L52 HydrophobicContact CB-CD1 4.31Å; A47-L52 HydrophobicContact CB-CD2 4.48Å; A47-L52 HydrophobicContact CB-CG 4.07Å; H48-L52 PolarHBondContact O-N 2.88Å; H48-L52 VanDerWaalsContact O-N 3.12Å; R49-L52 PolarHBondContact O-N 3.2Å; T50-L52 VanDerWaalsContact C-N 3.3Å; T50-L52 PolarHBondContact O-N 3.17Å; L52-T55 WeakPolarHBondContact CA-OG1 3.1Å; L52-T55 PolarHBondContact O-OG1 2.98Å; L52-S56 WeakPolarHBondContact O-CB 3.23Å; L52-S56 PolarHBondContact O-N 3.41Å
53	A	55.9	Low	56.2	Low	44 Å²	44	50.1 Å²	50.1	36%	0.364	24%	0.237	S	C	.	.	H	α-helix	trans	-71.5	-49.2	173	0	0	0	0	0	111.1	R49 T50 S56 K57	R49-A53 PolarHBondContact O-N 2.64Å; T50-A53 WeakPolarHBondContact O-CB 3.42Å; T50-A53 PolarHBondContact O-N 2.86Å; A53-S56 PolarHBondContact O-N 3.35Å; A53-K57 WeakPolarHBondContact O-CB 3.21Å; A53-K57 PolarHBondContact O-N 3.4Å
54	C	57.5	Low	56.8	Low	11 Å²	11	51.5 Å²	51.5	7%	0.074	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-46.5	177.9	-59.2	0	0	0	0	111.2	T50 S56 K57 M58 A87 E110	T50-C54 PolarHBondContact O-N 2.95Å; T50-C54 PolarHBondContact O-SG 2.96Å; C54-S56 PolarHBondContact O-N 2.68Å; C54-K57 CarbonylContact O-C 3.57Å; C54-K57 PolarHBondContact O-N 3.48Å; C54-K57 VanDerWaalsContact O-N 3.09Å; C54-M58 WeakPolarHBondContact O-CG 3.39Å; C54-M58 PolarHBondContact O-N 3.34Å; C54-A87 HydrophobicContact CB-CB 4.45Å; C54-E110 PolarHBondContact SG-OE2 2.89Å
55	T	60.4	Low	57	Low	2 Å²	2	51.4 Å²	51.4	1%	0.012	24%	0.238	C	C	.	.	H	α-helix	trans	-64.4	-41.1	175.6	49.5	0	0	0	0	112.5	V51 L52 K57 M58 F59 I83 L84 A87	V51-T55 HydrophobicContact CG1-CG2 4.44Å; V51-T55 WeakPolarHBondContact O-CB 3.49Å; V51-T55 WeakPolarHBondContact O-CG2 3.44Å; V51-T55 PolarHBondContact O-N 3.45Å; V51-T55 PolarHBondContact O-OG1 3.09Å; L52-T55 WeakPolarHBondContact CA-OG1 3.1Å; L52-T55 PolarHBondContact O-OG1 2.98Å; T55-K57 VanDerWaalsContact C-N 3.25Å; T55-K57 PolarHBondContact O-N 2.82Å; T55-M58 PolarHBondContact O-N 2.92Å; T55-F59 WeakPolarHBondContact O-CD2 3.39Å; T55-F59 PolarHBondContact O-N 3.18Å; T55-I83 HydrophobicContact CG2-CG2 4.42Å; T55-L84 HydrophobicContact CG2-CD2 3.85Å; T55-L84 HydrophobicContact CG2-CG 4.42Å; T55-A87 HydrophobicContact CG2-CB 4.09Å
56	S	62.3	Low	57.1	Low	3 Å²	3	51.8 Å²	51.8	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-61.4	-34.5	172.2	-174.9	0	0	0	0	112.1	N25 L52 A53 C54 E60	N25-S56 PolarHBondContact ND2-OG 3.1Å; L52-S56 WeakPolarHBondContact O-CB 3.23Å; L52-S56 PolarHBondContact O-N 3.41Å; A53-S56 PolarHBondContact O-N 3.35Å; C54-S56 PolarHBondContact O-N 2.68Å; S56-E60 PolarHBondContact O-N 2.83Å
57	K	59.9	Low	56.9	Low	72 Å²	72	51.1 Å²	51.1	31%	0.313	25%	0.25	S	S	.	.	H	α-helix	trans	-73.7	-40	177.5	-164.2	73.3	-155.6	165	0	111.9	A53 C54 T55 F59 E60 I61 I111	A53-K57 WeakPolarHBondContact O-CB 3.21Å; A53-K57 PolarHBondContact O-N 3.4Å; C54-K57 CarbonylContact O-C 3.57Å; C54-K57 PolarHBondContact O-N 3.48Å; C54-K57 VanDerWaalsContact O-N 3.09Å; T55-K57 VanDerWaalsContact C-N 3.25Å; T55-K57 PolarHBondContact O-N 2.82Å; K57-F59 VanDerWaalsContact C-N 3.33Å; K57-F59 PolarHBondContact O-N 2.95Å; K57-E60 IonicContact NZ-OE2 2.81Å; K57-E60 PolarHBondContact NZ-OE2 3.06Å; K57-E60 WeakPolarHBondContact O-CB 3.44Å; K57-E60 PolarHBondContact O-N 3.07Å; K57-I61 HydrophobicContact CG-CD1 4.06Å; K57-I61 WeakPolarHBondContact O-CB 3.37Å; K57-I61 VanDerWaalsContact O-CG1 3.26Å; K57-I61 WeakPolarHBondContact O-CG1 3.38Å; K57-I61 PolarHBondContact O-N 2.98Å; K57-I111 HydrophobicContact CG-CD1 4.35Å
58	M	60.7	Low	56.3	Low	9 Å²	9	59.1 Å²	59.1	4%	0.044	29%	0.286	C	S	.	.	H	α-helix	trans	-56.6	-47.5	170.9	-71.7	172	95.6	0	0	110.8	C54 T55 I61 L62 I83 Y86 L114	C54-M58 WeakPolarHBondContact O-CG 3.39Å; C54-M58 PolarHBondContact O-N 3.34Å; T55-M58 PolarHBondContact O-N 2.92Å; M58-I61 PolarHBondContact O-N 3.12Å; M58-L62 WeakPolarHBondContact O-CB 3.39Å; M58-L62 VanDerWaalsContact O-CG 3.26Å; M58-L62 WeakPolarHBondContact O-CG 3.48Å; M58-L62 PolarHBondContact O-N 3.27Å; M58-I83 HydrophobicContact CE-CB 4.44Å; M58-I83 HydrophobicContact CE-CG1 4.28Å; M58-I83 HydrophobicContact CE-CG2 3.77Å; M58-I83 HydrophobicContact SD-CG2 3.74Å; M58-Y86 HydrophobicContact CE-CD1 4.45Å; M58-L114 HydrophobicContact CE-CD2 4.34Å; M58-L114 HydrophobicContact CE-CG 4.11Å; M58-L114 HydrophobicContact CG-CD2 3.34Å; M58-L114 HydrophobicContact CG-CG 4.05Å; M58-L114 HydrophobicContact SD-CD2 3.9Å; M58-L114 HydrophobicContact SD-CG 4.31Å
59	F	61.9	Low	55.8	Low	7 Å²	7	61.1 Å²	61.1	3%	0.031	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-41.3	175.1	-76.8	-57.3	0	0	0	113.1	P17 L21 T55 K57 F63 L72 L75 F80	P17-F59 HydrophobicContact CB-CE1 4.04Å; P17-F59 HydrophobicContact CB-CZ 4.08Å; L21-F59 HydrophobicContact CD1-CB 3.66Å; L21-F59 HydrophobicContact CD1-CD2 4.15Å; L21-F59 HydrophobicContact CD1-CG 4.23Å; L21-F59 HydrophobicContact CD2-CB 4.05Å; L21-F59 HydrophobicContact CG-CB 4.38Å; T55-F59 WeakPolarHBondContact O-CD2 3.39Å; T55-F59 PolarHBondContact O-N 3.18Å; K57-F59 VanDerWaalsContact C-N 3.33Å; K57-F59 PolarHBondContact O-N 2.95Å; F59-F63 VanDerWaalsContact O-CB 3.22Å; F59-F63 WeakPolarHBondContact O-CB 3.28Å; F59-F63 PolarHBondContact O-N 3.45Å; F59-L72 HydrophobicContact CD1-CD2 3.63Å; F59-L72 HydrophobicContact CE1-CD2 3.66Å; F59-L75 HydrophobicContact CE1-CD1 3.77Å; F59-F80 HydrophobicContact CE2-CD2 4.47Å; F59-F80 AromaticContact CE2-CE2 3.88Å; F59-F80 HydrophobicContact CE2-CE2 3.88Å; F59-F80 AromaticContact CZ-CD2 3.77Å; F59-F80 HydrophobicContact CZ-CD2 3.77Å; F59-F80 AromaticContact CZ-CE2 3.6Å; F59-F80 HydrophobicContact CZ-CE2 3.6Å
60	E	59.4	Low	55.3	Low	63 Å²	63	59.5 Å²	59.5	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-58	-46.9	172.1	-81	-177	-173.2	0	0	111.4	R28 S56 K57 F63 H64	R28-E60 IonicContact NH2-OE1 2.77Å; R28-E60 PolarHBondContact NH2-OE1 3.38Å; S56-E60 PolarHBondContact O-N 2.83Å; K57-E60 IonicContact NZ-OE2 2.81Å; K57-E60 PolarHBondContact NZ-OE2 3.06Å; K57-E60 WeakPolarHBondContact O-CB 3.44Å; K57-E60 PolarHBondContact O-N 3.07Å; E60-F63 PolarHBondContact O-N 2.94Å; E60-H64 WeakPolarHBondContact O-CB 3.42Å; E60-H64 PolarHBondContact O-N 2.83Å
61	I	57.8	Low	54.8	Low	19 Å²	19	62.7 Å²	62.7	10%	0.097	31%	0.31	C	S	.	.	H	α-helix	trans	-63.5	-49.2	-179	-69.6	163.3	0	0	0	111.1	K57 M58 F63 H64 R65 I111 E115	K57-I61 HydrophobicContact CG-CD1 4.06Å; K57-I61 WeakPolarHBondContact O-CB 3.37Å; K57-I61 VanDerWaalsContact O-CG1 3.26Å; K57-I61 WeakPolarHBondContact O-CG1 3.38Å; K57-I61 PolarHBondContact O-N 2.98Å; M58-I61 PolarHBondContact O-N 3.12Å; I61-F63 VanDerWaalsContact C-N 3.31Å; I61-F63 PolarHBondContact O-N 3.46Å; I61-H64 PolarHBondContact O-N 3.1Å; I61-R65 PolarHBondContact O-N 3.03Å; I61-R65 VanDerWaalsContact O-N 3.14Å; I61-I111 HydrophobicContact CD1-CG1 4.43Å; I61-I111 HydrophobicContact CD1-CG2 4.08Å; I61-E115 HydrophobicContact CG2-CG 3.82Å
62	L	54.9	Low	54.2	Low	38 Å²	38	63.7 Å²	63.7	20%	0.199	32%	0.315	C	S	.	.	H	α-helix	trans	-58.2	-43.1	177.1	-72.3	168.5	0	0	0	111.5	M58 C118	M58-L62 WeakPolarHBondContact O-CB 3.39Å; M58-L62 VanDerWaalsContact O-CG 3.26Å; M58-L62 WeakPolarHBondContact O-CG 3.48Å; M58-L62 PolarHBondContact O-N 3.27Å; L62-C118 HydrophobicContact CD2-CB 3.96Å
63	F	59.3	Low	53.4	Low	136 Å²	136	67.7 Å²	67.7	60%	0.596	34%	0.336	S	S	*	.	H	α-helix	trans	-71.6	-37.1	179.5	-161.7	-91.9	0	0	0	112.7	F59 E60 I61	F59-F63 VanDerWaalsContact O-CB 3.22Å; F59-F63 WeakPolarHBondContact O-CB 3.28Å; F59-F63 PolarHBondContact O-N 3.45Å; E60-F63 PolarHBondContact O-N 2.94Å; I61-F63 VanDerWaalsContact C-N 3.31Å; I61-F63 PolarHBondContact O-N 3.46Å
64	H	57.8	Low	52.9	Low	160 Å²	160	72.9 Å²	72.9	74%	0.741	35%	0.351	S	S	*	.	H	α-helix	trans	-75.5	-31.7	-176.7	-123.9	-53.4	0	0	0	113.6	E60 I61	E60-H64 WeakPolarHBondContact O-CB 3.42Å; E60-H64 PolarHBondContact O-N 2.83Å; I61-H64 PolarHBondContact O-N 3.1Å
65	R	54.1	Low	52.8	Low	124 Å²	124	74.1 Å²	74.1	47%	0.468	36%	0.357	S	S	.	.	H	α-helix	trans	-74.4	-43.6	178.3	-111.9	-173.9	176.9	120.2	8.8	112.6	I61 S67 E115	I61-R65 PolarHBondContact O-N 3.03Å; I61-R65 VanDerWaalsContact O-N 3.14Å; R65-S67 PolarHBondContact O-N 2.99Å; R65-E115 IonicContact CZ-OE2 2.6Å; R65-E115 VanDerWaalsContact CZ-OE2 3.24Å; R65-E115 IonicContact NH1-OE1 2.79Å; R65-E115 IonicContact NH1-OE2 3.75Å; R65-E115 PolarHBondContact NH1-OE2 2.87Å; R65-E115 IonicContact NH2-OE2 2.85Å; R65-E115 PolarHBondContact NH2-OE2 2.75Å
66	N	49.4	Very low	52.5	Low	62 Å²	62	76.3 Å²	76.3	33%	0.332	37%	0.372	S	S	.	.	S	Bend	trans	-102.9	42.2	-172.4	-81.8	-0.3	0	0	0	114.3	Q68 H69 Y70	N66-Q68 PolarHBondContact O-N 3.42Å; N66-H69 PolarHBondContact O-N 3.35Å; N66-Y70 HydrophobicContact CB-CD2 4.06Å; N66-Y70 WeakPolarHBondContact ND2-CD2 3.39Å
67	S	44.6	Very low	52.1	Low	95 Å²	95	79.3 Å²	79.3	66%	0.664	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	18.5	-170.5	64	0	0	0	0	118.5	R65	R65-S67 PolarHBondContact O-N 2.99Å
68	Q	43.8	Very low	52	Low	172 Å²	172	83.8 Å²	83.8	80%	0.804	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.8	-18.2	172.6	-67.5	-168.1	-4.3	0	0	116.4	N66	N66-Q68 PolarHBondContact O-N 3.42Å
69	H	44.8	Very low	51.8	Low	130 Å²	130	84.6 Å²	84.6	60%	0.602	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.1	-12.9	-165.8	-78.2	-71.6	0	0	0	118.1	N66	N66-H69 PolarHBondContact O-N 3.35Å
70	Y	43.1	Very low	51.6	Low	82 Å²	82	85.2 Å²	85.2	32%	0.322	42%	0.419	S	S	.	.			trans	-109.3	108.3	178.5	-82.3	-91	0	0	0	111.5	N66 F74	N66-Y70 HydrophobicContact CB-CD2 4.06Å; N66-Y70 WeakPolarHBondContact ND2-CD2 3.39Å; Y70-F74 HydrophobicContact CD1-CB 4.31Å; Y70-F74 HydrophobicContact CE1-CB 4.45Å
71	T	42.6	Very low	51.7	Low	76 Å²	76	85 Å²	85	47%	0.466	42%	0.418	S	S	.	.			trans	-77.1	155.3	155.2	61	0	0	0	0	109	D73	T71-D73 WeakPolarHBondContact CB-OD2 3.28Å; T71-D73 PolarHBondContact O-N 3.47Å; T71-D73 PolarHBondContact OG1-OD2 3.4Å
72	L	47.3	Very low	51.9	Low	25 Å²	25	90.2 Å²	90.2	13%	0.131	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-65.1	-10.4	-179	-81.6	164.4	0	0	0	113.5	P17 T18 F59 F74 L75	P17-L72 HydrophobicContact CB-CB 3.97Å; P17-L72 HydrophobicContact CB-CD1 4.26Å; P17-L72 HydrophobicContact CB-CD2 4.06Å; P17-L72 HydrophobicContact CB-CG 4.32Å; P17-L72 HydrophobicContact CG-CB 3.99Å; P17-L72 WeakPolarHBondContact CG-O 3.46Å; T18-L72 WeakPolarHBondContact OG1-CD1 3.47Å; F59-L72 HydrophobicContact CD1-CD2 3.63Å; F59-L72 HydrophobicContact CE1-CD2 3.66Å; L72-F74 PolarHBondContact O-N 3.06Å; L72-L75 HydrophobicContact CD2-CD1 3.97Å; L72-L75 PolarHBondContact O-N 3.1Å
73	D	44.4	Very low	52.1	Low	91 Å²	91	88.7 Å²	88.7	49%	0.487	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-64.9	-17.7	-176.6	-42	-44.1	0	0	0	113.2	H16 T71	H16-D73 IonicContact CE1-OD1 3.29Å; H16-D73 PolarHBondContact CE1-OD1 2.9Å; H16-D73 IonicContact ND1-OD1 3.38Å; H16-D73 IonicContact NE2-OD1 3.72Å; T71-D73 WeakPolarHBondContact CB-OD2 3.28Å; T71-D73 PolarHBondContact O-N 3.47Å; T71-D73 PolarHBondContact OG1-OD2 3.4Å
74	F	45.1	Very low	52.2	Low	153 Å²	153	82.8 Å²	82.8	67%	0.671	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-84.7	-11.7	177.8	-72.7	-86.5	0	0	0	114.7	Y70 L72 S76	Y70-F74 HydrophobicContact CD1-CB 4.31Å; Y70-F74 HydrophobicContact CE1-CB 4.45Å; L72-F74 PolarHBondContact O-N 3.06Å; F74-S76 PolarHBondContact O-N 3.2Å; F74-S76 VanDerWaalsContact O-N 3.09Å
75	L	54.7	Low	52.3	Low	37 Å²	37	79.2 Å²	79.2	19%	0.194	39%	0.392	C	S	.	.	S	Bend	trans	-75.4	102.3	173	-85.2	169	0	0	0	109.6	F59 L72 T79 I83	F59-L75 HydrophobicContact CE1-CD1 3.77Å; L72-L75 HydrophobicContact CD2-CD1 3.97Å; L72-L75 PolarHBondContact O-N 3.1Å; L75-T79 HydrophobicContact CD2-CG2 3.54Å; L75-I83 HydrophobicContact CD2-CD1 4.01Å
76	S	54.3	Low	52.6	Low	49 Å²	49	76.7 Å²	76.7	34%	0.343	38%	0.383	S	S	.	.			trans	-56.3	148.5	173.6	85.4	0	0	0	0	110.6	F74 K78 T79 F80	F74-S76 PolarHBondContact O-N 3.2Å; F74-S76 VanDerWaalsContact O-N 3.09Å; S76-K78 PolarHBondContact O-N 3.14Å; S76-K78 VanDerWaalsContact O-N 3.1Å; S76-T79 WeakPolarHBondContact O-CB 3.45Å; S76-T79 PolarHBondContact O-N 3.34Å; S76-T79 PolarHBondContact OG-N 3.45Å; S76-T79 VanDerWaalsContact OG-N 3.1Å; S76-T79 PolarHBondContact OG-OG1 2.89Å; S76-F80 PolarHBondContact O-N 3.16Å
77	P	55	Low	53	Low	66 Å²	66	73.9 Å²	73.9	43%	0.429	37%	0.369	S	S	.	.	H	α-helix	trans	-53.5	-33.3	176.4	-28.8	36	0	0	0	113.2	P14 F80 Q81	P14-P77 HydrophobicContact CG-CG 4.45Å; P77-F80 PolarHBondContact O-N 3.45Å; P77-Q81 WeakPolarHBondContact O-CB 3.3Å; P77-Q81 PolarHBondContact O-N 3.41Å
78	K	56.5	Low	53.6	Low	165 Å²	165	74.8 Å²	74.8	72%	0.717	36%	0.358	S	S	*	.	H	α-helix	trans	-64	-48	173.1	-67.7	-177.5	177.2	179.4	0	112.3	S76 F80 Q81 Q82	S76-K78 PolarHBondContact O-N 3.14Å; S76-K78 VanDerWaalsContact O-N 3.1Å; K78-F80 VanDerWaalsContact C-N 3.28Å; K78-F80 PolarHBondContact O-N 2.83Å; K78-Q81 PolarHBondContact O-N 3.46Å; K78-Q82 WeakPolarHBondContact O-CB 3.45Å; K78-Q82 PolarHBondContact O-N 3.46Å
79	T	57.8	Low	54.4	Low	27 Å²	27	69.5 Å²	69.5	17%	0.166	34%	0.338	C	S	.	.	H	α-helix	trans	-61.8	-39.6	177.6	-41.5	0	0	0	0	110.8	L75 S76 Q82 I83 M121	L75-T79 HydrophobicContact CD2-CG2 3.54Å; S76-T79 WeakPolarHBondContact O-CB 3.45Å; S76-T79 PolarHBondContact O-N 3.34Å; S76-T79 PolarHBondContact OG-N 3.45Å; S76-T79 VanDerWaalsContact OG-N 3.1Å; S76-T79 PolarHBondContact OG-OG1 2.89Å; T79-Q82 PolarHBondContact O-N 3.17Å; T79-I83 HydrophobicContact CG2-CD1 4.4Å; T79-I83 VanDerWaalsContact O-CG1 3.3Å; T79-I83 WeakPolarHBondContact O-CG1 3.44Å; T79-I83 PolarHBondContact O-N 2.75Å; T79-M121 HydrophobicContact CG2-SD 3.79Å
80	F	57.5	Low	54.8	Low	19 Å²	19	63.8 Å²	63.8	8%	0.083	31%	0.314	C	S	.	.	H	α-helix	trans	-65.7	-44.1	175.1	178.2	-109.7	0	0	0	112.9	L20 F59 S76 P77 K78 Q82 I83 L84	L20-F80 HydrophobicContact CD1-CE1 3.62Å; L20-F80 HydrophobicContact CD1-CE2 4.22Å; L20-F80 HydrophobicContact CD1-CZ 3.31Å; L20-F80 HydrophobicContact CD2-CZ 4.13Å; L20-F80 HydrophobicContact CG-CZ 4.33Å; F59-F80 HydrophobicContact CE2-CD2 4.47Å; F59-F80 AromaticContact CE2-CE2 3.88Å; F59-F80 HydrophobicContact CE2-CE2 3.88Å; F59-F80 AromaticContact CZ-CD2 3.77Å; F59-F80 HydrophobicContact CZ-CD2 3.77Å; F59-F80 AromaticContact CZ-CE2 3.6Å; F59-F80 HydrophobicContact CZ-CE2 3.6Å; S76-F80 PolarHBondContact O-N 3.16Å; P77-F80 PolarHBondContact O-N 3.45Å; K78-F80 VanDerWaalsContact C-N 3.28Å; K78-F80 PolarHBondContact O-N 2.83Å; F80-Q82 VanDerWaalsContact C-N 3.32Å; F80-Q82 PolarHBondContact O-N 3.31Å; F80-I83 PolarHBondContact O-N 2.99Å; F80-L84 HydrophobicContact CD1-CD1 4.11Å; F80-L84 HydrophobicContact CE1-CD1 3.37Å; F80-L84 HydrophobicContact CE1-CG 4.31Å; F80-L84 HydrophobicContact CE2-CD1 4.24Å; F80-L84 HydrophobicContact CE2-CG 4.35Å; F80-L84 HydrophobicContact CZ-CD1 3.43Å; F80-L84 VanDerWaalsContact CZ-CD1 3.43Å; F80-L84 HydrophobicContact CZ-CG 3.97Å; F80-L84 PolarHBondContact O-N 3.32Å
81	Q	61.6	Low	55.3	Low	59 Å²	59	61.1 Å²	61.1	28%	0.276	31%	0.306	S	S	.	.	H	α-helix	trans	-59.3	-44.2	173	177.7	179.8	-13.4	0	0	111.2	P77 K78 I83 L84 E85	P77-Q81 WeakPolarHBondContact O-CB 3.3Å; P77-Q81 PolarHBondContact O-N 3.41Å; K78-Q81 PolarHBondContact O-N 3.46Å; Q81-I83 VanDerWaalsContact C-N 3.32Å; Q81-I83 PolarHBondContact O-N 2.72Å; Q81-L84 WeakPolarHBondContact O-CB 3.32Å; Q81-L84 PolarHBondContact O-N 2.92Å; Q81-L84 VanDerWaalsContact O-N 3.1Å; Q81-E85 HydrophobicContact CG-CG 4.39Å; Q81-E85 WeakPolarHBondContact CG-OE1 3.44Å; Q81-E85 PolarHBondContact NE2-OE1 2.94Å; Q81-E85 WeakPolarHBondContact O-CG 3.35Å; Q81-E85 PolarHBondContact O-N 3.49Å
82	Q	61.9	Low	56	Low	128 Å²	128	62 Å²	62	60%	0.598	31%	0.307	S	S	*	.	H	α-helix	trans	-67	-33.5	-178.6	-158	160.6	16.5	0	0	112.2	K78 T79 F80 Y86	K78-Q82 WeakPolarHBondContact O-CB 3.45Å; K78-Q82 PolarHBondContact O-N 3.46Å; T79-Q82 PolarHBondContact O-N 3.17Å; F80-Q82 VanDerWaalsContact C-N 3.32Å; F80-Q82 PolarHBondContact O-N 3.31Å; Q82-Y86 VanDerWaalsContact O-CB 3.28Å; Q82-Y86 WeakPolarHBondContact O-CB 3.18Å; Q82-Y86 PolarHBondContact O-N 2.89Å
83	I	59.1	Low	56.2	Low	6 Å²	6	68.6 Å²	68.6	3%	0.031	34%	0.337	C	S	.	.	H	α-helix	trans	-64.6	-43.2	169.1	-75.3	165.7	0	0	0	111.5	T55 M58 L75 T79 F80 Q81 Y86 A87 M121	T55-I83 HydrophobicContact CG2-CG2 4.42Å; M58-I83 HydrophobicContact CE-CB 4.44Å; M58-I83 HydrophobicContact CE-CG1 4.28Å; M58-I83 HydrophobicContact CE-CG2 3.77Å; M58-I83 HydrophobicContact SD-CG2 3.74Å; L75-I83 HydrophobicContact CD2-CD1 4.01Å; T79-I83 HydrophobicContact CG2-CD1 4.4Å; T79-I83 VanDerWaalsContact O-CG1 3.3Å; T79-I83 WeakPolarHBondContact O-CG1 3.44Å; T79-I83 PolarHBondContact O-N 2.75Å; F80-I83 PolarHBondContact O-N 2.99Å; Q81-I83 VanDerWaalsContact C-N 3.32Å; Q81-I83 PolarHBondContact O-N 2.72Å; I83-Y86 PolarHBondContact O-N 3.34Å; I83-A87 WeakPolarHBondContact O-CB 3.3Å; I83-A87 PolarHBondContact O-N 2.91Å; I83-M121 HydrophobicContact CD1-CE 4.11Å; I83-M121 HydrophobicContact CG1-CE 4.06Å
84	L	60.8	Low	56.4	Low	12 Å²	12	66 Å²	66	6%	0.063	33%	0.329	C	S	.	.	H	α-helix	trans	-65.2	-45	176.2	-88.7	168.8	0	0	0	112.3	I38 V51 T55 F80 Q81 Y86 A87 Y88	I38-L84 HydrophobicContact CD1-CD2 4.25Å; V51-L84 HydrophobicContact CG1-CD2 4.04Å; T55-L84 HydrophobicContact CG2-CD2 3.85Å; T55-L84 HydrophobicContact CG2-CG 4.42Å; F80-L84 HydrophobicContact CD1-CD1 4.11Å; F80-L84 HydrophobicContact CE1-CD1 3.37Å; F80-L84 HydrophobicContact CE1-CG 4.31Å; F80-L84 HydrophobicContact CE2-CD1 4.24Å; F80-L84 HydrophobicContact CE2-CG 4.35Å; F80-L84 HydrophobicContact CZ-CD1 3.43Å; F80-L84 VanDerWaalsContact CZ-CD1 3.43Å; F80-L84 HydrophobicContact CZ-CG 3.97Å; F80-L84 PolarHBondContact O-N 3.32Å; Q81-L84 WeakPolarHBondContact O-CB 3.32Å; Q81-L84 PolarHBondContact O-N 2.92Å; Q81-L84 VanDerWaalsContact O-N 3.1Å; L84-Y86 VanDerWaalsContact C-N 3.34Å; L84-A87 PolarHBondContact O-N 2.95Å; L84-Y88 VanDerWaalsContact O-CB 3.27Å; L84-Y88 WeakPolarHBondContact O-CB 3.25Å; L84-Y88 PolarHBondContact O-N 3.36Å
85	E	59.8	Low	56.2	Low	85 Å²	85	68.4 Å²	68.4	40%	0.397	34%	0.339	S	S	.	.	H	α-helix	trans	-62.6	-40.2	175.6	-74.6	176.1	-171.4	0	0	111.4	Q81 Y88 T89	Q81-E85 HydrophobicContact CG-CG 4.39Å; Q81-E85 WeakPolarHBondContact CG-OE1 3.44Å; Q81-E85 PolarHBondContact NE2-OE1 2.94Å; Q81-E85 WeakPolarHBondContact O-CG 3.35Å; Q81-E85 PolarHBondContact O-N 3.49Å; E85-Y88 PolarHBondContact O-N 2.9Å; E85-T89 WeakPolarHBondContact O-CB 3.45Å; E85-T89 WeakPolarHBondContact O-CG2 3.48Å; E85-T89 PolarHBondContact O-N 2.79Å; E85-T89 PolarHBondContact O-OG1 3.4Å
86	Y	59.7	Low	55.7	Low	71 Å²	71	69.6 Å²	69.6	28%	0.278	35%	0.354	S	S	.	.	H	α-helix	trans	-63.8	-48.9	174.3	-176.8	-93.8	0	0	0	111.9	M58 Q82 I83 L84 Y88 T89 A90 Y113 L114	M58-Y86 HydrophobicContact CE-CD1 4.45Å; Q82-Y86 VanDerWaalsContact O-CB 3.28Å; Q82-Y86 WeakPolarHBondContact O-CB 3.18Å; Q82-Y86 PolarHBondContact O-N 2.89Å; I83-Y86 PolarHBondContact O-N 3.34Å; L84-Y86 VanDerWaalsContact C-N 3.34Å; Y86-Y88 VanDerWaalsContact C-N 3.33Å; Y86-Y88 PolarHBondContact O-N 2.85Å; Y86-T89 WeakPolarHBondContact CA-OG1 3.31Å; Y86-T89 PolarHBondContact O-N 2.96Å; Y86-T89 PolarHBondContact O-OG1 3.09Å; Y86-T89 VanDerWaalsContact O-OG1 3.05Å; Y86-A90 HydrophobicContact CE1-CB 4.41Å; Y86-A90 WeakPolarHBondContact O-CB 3.37Å; Y86-A90 PolarHBondContact O-N 2.86Å; Y86-Y113 HydrophobicContact CE1-CE1 4.32Å; Y86-Y113 HydrophobicContact CE2-CE1 4.04Å; Y86-Y113 AromaticContact CZ-CE1 3.53Å; Y86-Y113 VanDerWaalsContact OH-CD1 3.29Å; Y86-Y113 WeakPolarHBondContact OH-CD1 3.49Å; Y86-Y113 WeakPolarHBondContact OH-CE1 3.37Å; Y86-L114 HydrophobicContact CE1-CD1 3.75Å
87	A	58.1	Low	55.4	Low	3 Å²	3	76.9 Å²	76.9	3%	0.025	38%	0.383	C	S	.	.	H	α-helix	trans	-61.5	-40.5	176.7	0	0	0	0	0	112.2	V51 C54 T55 I83 L84 T91	V51-A87 HydrophobicContact CG1-CB 4.16Å; C54-A87 HydrophobicContact CB-CB 4.45Å; T55-A87 HydrophobicContact CG2-CB 4.09Å; I83-A87 WeakPolarHBondContact O-CB 3.3Å; I83-A87 PolarHBondContact O-N 2.91Å; L84-A87 PolarHBondContact O-N 2.95Å; A87-T91 WeakPolarHBondContact O-CG2 3.12Å; A87-T91 PolarHBondContact O-N 3.37Å; A87-T91 VanDerWaalsContact O-N 3.09Å; A87-T91 PolarHBondContact O-OG1 3.35Å
88	Y	57.7	Low	55	Low	114 Å²	114	78.9 Å²	78.9	45%	0.447	39%	0.389	S	S	.	.	H	α-helix	trans	-65	-46.1	176.5	-176	-109.9	0	0	0	111.9	V51 L84 E85 Y86 T91 L92	V51-Y88 HydrophobicContact CG2-CD2 4.18Å; L84-Y88 VanDerWaalsContact O-CB 3.27Å; L84-Y88 WeakPolarHBondContact O-CB 3.25Å; L84-Y88 PolarHBondContact O-N 3.36Å; E85-Y88 PolarHBondContact O-N 2.9Å; Y86-Y88 VanDerWaalsContact C-N 3.33Å; Y86-Y88 PolarHBondContact O-N 2.85Å; Y88-T91 PolarHBondContact O-N 3.21Å; Y88-T91 PolarHBondContact O-OG1 3.38Å; Y88-L92 HydrophobicContact CD1-CD1 3.78Å; Y88-L92 HydrophobicContact CE1-CD1 3.33Å; Y88-L92 HydrophobicContact CE1-CG 4.22Å; Y88-L92 PolarHBondContact O-N 2.93Å
89	T	60.2	Low	54.3	Low	62 Å²	62	75.9 Å²	75.9	38%	0.38	38%	0.381	S	S	.	.	H	α-helix	trans	-67.2	-36.8	178.1	50	0	0	0	0	113	E85 Y86 L92 Q93	E85-T89 WeakPolarHBondContact O-CB 3.45Å; E85-T89 WeakPolarHBondContact O-CG2 3.48Å; E85-T89 PolarHBondContact O-N 2.79Å; E85-T89 PolarHBondContact O-OG1 3.4Å; Y86-T89 WeakPolarHBondContact CA-OG1 3.31Å; Y86-T89 PolarHBondContact O-N 2.96Å; Y86-T89 PolarHBondContact O-OG1 3.09Å; Y86-T89 VanDerWaalsContact O-OG1 3.05Å; T89-L92 PolarHBondContact O-N 3.43Å; T89-Q93 WeakPolarHBondContact O-CB 3.26Å; T89-Q93 WeakPolarHBondContact O-CG 3.49Å; T89-Q93 PolarHBondContact O-N 2.69Å
90	A	54	Low	53.8	Low	10 Å²	10	79.3 Å²	79.3	8%	0.083	40%	0.398	C	S	.	.	H	α-helix	trans	-57.7	-49.1	170.1	0	0	0	0	0	111.1	Y86 L92 Q93 A94	Y86-A90 HydrophobicContact CE1-CB 4.41Å; Y86-A90 WeakPolarHBondContact O-CB 3.37Å; Y86-A90 PolarHBondContact O-N 2.86Å; A90-L92 VanDerWaalsContact C-N 3.28Å; A90-L92 PolarHBondContact O-N 3.2Å; A90-Q93 PolarHBondContact O-N 3.42Å; A90-A94 WeakPolarHBondContact O-CB 3.39Å; A90-A94 PolarHBondContact O-N 2.65Å; A90-A94 VanDerWaalsContact O-N 3.09Å
91	T	52.5	Low	53.2	Low	26 Å²	26	81.1 Å²	81.1	16%	0.16	41%	0.409	C	S	.	.	H	α-helix	trans	-65.4	-26.6	177.4	61.2	0	0	0	0	114.1	T50 V51 A87 Y88	T50-T91 HydrophobicContact CG2-CG2 3.67Å; V51-T91 HydrophobicContact CG2-CG2 4.2Å; A87-T91 WeakPolarHBondContact O-CG2 3.12Å; A87-T91 PolarHBondContact O-N 3.37Å; A87-T91 VanDerWaalsContact O-N 3.09Å; A87-T91 PolarHBondContact O-OG1 3.35Å; Y88-T91 PolarHBondContact O-N 3.21Å; Y88-T91 PolarHBondContact O-OG1 3.38Å
92	L	57.2	Low	52.2	Low	93 Å²	93	79.5 Å²	79.5	49%	0.487	40%	0.402	S	S	.	.	H	α-helix	trans	-80.1	-33	174.2	-80.6	175.8	0	0	0	113.7	Y88 T89 A90 A94	Y88-L92 HydrophobicContact CD1-CD1 3.78Å; Y88-L92 HydrophobicContact CE1-CD1 3.33Å; Y88-L92 HydrophobicContact CE1-CG 4.22Å; Y88-L92 PolarHBondContact O-N 2.93Å; T89-L92 PolarHBondContact O-N 3.43Å; A90-L92 VanDerWaalsContact C-N 3.28Å; A90-L92 PolarHBondContact O-N 3.2Å; L92-A94 VanDerWaalsContact C-N 3.3Å
93	Q	53.2	Low	51.4	Low	165 Å²	165	77.3 Å²	77.3	77%	0.771	39%	0.394	S	S	*	.	H	α-helix	trans	-71.5	-29.6	175.6	-76.7	-179.2	-4	0	0	111.7	T89 A90 K95	T89-Q93 WeakPolarHBondContact O-CB 3.26Å; T89-Q93 WeakPolarHBondContact O-CG 3.49Å; T89-Q93 PolarHBondContact O-N 2.69Å; A90-Q93 PolarHBondContact O-N 3.42Å; Q93-K95 PolarHBondContact O-N 3.12Å
94	A	48.6	Very low	50.7	Low	37 Å²	37	83.7 Å²	83.7	31%	0.306	42%	0.418	S	S	.	.			trans	-72.8	53.2	175.8	0	0	0	0	0	112.7	A90 L92 A96 L102	A90-A94 WeakPolarHBondContact O-CB 3.39Å; A90-A94 PolarHBondContact O-N 2.65Å; A90-A94 VanDerWaalsContact O-N 3.09Å; L92-A94 VanDerWaalsContact C-N 3.3Å; A94-A96 PolarHBondContact O-N 2.84Å; A94-L102 HydrophobicContact CB-CD1 3.88Å; A94-L102 HydrophobicContact CB-CD2 3.94Å; A94-L102 HydrophobicContact CB-CG 3.99Å; A94-L102 WeakPolarHBondContact O-CD1 3.4Å
95	K	40.9	Very low	49.6	Very low	202 Å²	202	85.1 Å²	85.1	88%	0.878	43%	0.432	S	S	*	.			trans	-70.7	72.3	166.2	-73.9	-174.5	177.6	-179.9	0	110.2	Q93	Q93-K95 PolarHBondContact O-N 3.12Å
96	A	43.1	Very low	48.6	Very low	62 Å²	62	81.8 Å²	81.8	51%	0.512	42%	0.419	S	S	.	.			trans	-117.8	140.4	165.6	0	0	0	0	0	108.3	A94 D98 L102	A94-A96 PolarHBondContact O-N 2.84Å; A96-D98 PolarHBondContact O-N 3.06Å; A96-L102 HydrophobicContact CB-CD1 3.89Å
97	E	48.9	Very low	48	Very low	203 Å²	203	84.7 Å²	84.7	95%	0.949	44%	0.435	S	S	*	.	S	Bend	trans	-77.5	-3.5	-163.5	-61	-179.4	136.4	0	0	113.9
98	D	45.8	Very low	47.1	Very low	107 Å²	107	88.8 Å²	88.8	57%	0.572	46%	0.456	S	S	*	.			trans	-115.9	104.5	-179.9	-76.4	-59.6	0	0	0	112.3	A96 D100 D101 L102	A96-D98 PolarHBondContact O-N 3.06Å; D98-D100 VanDerWaalsContact C-N 3.27Å; D98-D100 PolarHBondContact O-N 3.28Å; D98-D101 HydrophobicContact CB-CB 4.01Å; D98-D101 PolarHBondContact O-N 2.82Å; D98-D101 VanDerWaalsContact O-N 3.14Å; D98-L102 PolarHBondContact O-N 3.26Å
99	L	42.5	Very low	46.4	Very low	102 Å²	102	89.4 Å²	89.4	53%	0.534	47%	0.466	S	S	.	.	H	α-helix	trans	-62.4	-29.7	-178.5	-173.2	65.4	0	0	0	113.6	L102 L103	L99-L102 HydrophobicContact CD1-CD2 4.46Å; L99-L102 VanDerWaalsContact O-CB 3.26Å; L99-L102 WeakPolarHBondContact O-CB 3.41Å; L99-L102 PolarHBondContact O-N 3.08Å; L99-L103 PolarHBondContact O-N 3.04Å; L99-L103 VanDerWaalsContact O-N 3.13Å
100	D	47.1	Very low	46	Very low	99 Å²	99	88.1 Å²	88.1	53%	0.529	46%	0.456	S	S	.	.	H	α-helix	trans	-74.3	-34.7	176.2	-78.8	-28.8	0	0	0	112	D98 L102 L103 Y104	D98-D100 VanDerWaalsContact C-N 3.27Å; D98-D100 PolarHBondContact O-N 3.28Å; D100-L102 VanDerWaalsContact C-N 3.32Å; D100-L103 PolarHBondContact O-N 3.11Å; D100-Y104 PolarHBondContact O-N 3.18Å; D100-Y104 VanDerWaalsContact O-N 3.16Å
101	D	44.1	Very low	45.8	Very low	58 Å²	58	89.5 Å²	89.5	31%	0.31	46%	0.461	S	S	.	.	H	α-helix	trans	-73.4	-28.2	172.5	-78.4	-6.2	0	0	0	111.2	D98 Y104 A105 R516	D98-D101 HydrophobicContact CB-CB 4.01Å; D98-D101 PolarHBondContact O-N 2.82Å; D98-D101 VanDerWaalsContact O-N 3.14Å; D101-Y104 PolarHBondContact O-N 2.85Å; D101-A105 WeakPolarHBondContact O-CB 3.24Å; D101-A105 PolarHBondContact O-N 2.78Å; D101-R516 VanDerWaalsContact CG-NH1 3.29Å; D101-R516 IonicContact OD1-CZ 3.6Å; D101-R516 IonicContact OD1-NH1 2.67Å; D101-R516 PolarHBondContact OD1-NH1 3.13Å; D101-R516 IonicContact OD1-NH2 2.63Å; D101-R516 PolarHBondContact OD1-NH2 2.78Å; D101-R516 IonicContact OD2-CZ 2.77Å; D101-R516 IonicContact OD2-NH1 3.39Å; D101-R516 PolarHBondContact OD2-NH1 3.31Å; D101-R516 IonicContact OD2-NH2 3.47Å
102	L	41.4	Very low	45.7	Very low	24 Å²	24	95.8 Å²	95.8	13%	0.126	49%	0.489	C	S	.	.	H	α-helix	trans	-59.1	-47.5	165.4	-124.5	79.9	0	0	0	112.3	A94 A96 D98 L99 D100 Y104 A106	A94-L102 HydrophobicContact CB-CD1 3.88Å; A94-L102 HydrophobicContact CB-CD2 3.94Å; A94-L102 HydrophobicContact CB-CG 3.99Å; A94-L102 WeakPolarHBondContact O-CD1 3.4Å; A96-L102 HydrophobicContact CB-CD1 3.89Å; D98-L102 PolarHBondContact O-N 3.26Å; L99-L102 HydrophobicContact CD1-CD2 4.46Å; L99-L102 VanDerWaalsContact O-CB 3.26Å; L99-L102 WeakPolarHBondContact O-CB 3.41Å; L99-L102 PolarHBondContact O-N 3.08Å; D100-L102 VanDerWaalsContact C-N 3.32Å; L102-Y104 VanDerWaalsContact C-N 3.34Å; L102-Y104 PolarHBondContact O-N 2.89Å; L102-A106 WeakPolarHBondContact O-CB 3.34Å; L102-A106 PolarHBondContact O-N 3.31Å
103	L	45.2	Very low	45.6	Very low	82 Å²	82	95.4 Å²	95.4	43%	0.429	48%	0.482	S	S	.	.	H	α-helix	trans	-63.4	-40.3	179.9	-108.7	72.4	0	0	0	111.8	T50 L99 D100 E107	T50-L103 HydrophobicContact CG2-CD1 4.49Å; L99-L103 PolarHBondContact O-N 3.04Å; L99-L103 VanDerWaalsContact O-N 3.13Å; D100-L103 PolarHBondContact O-N 3.11Å; L103-E107 WeakPolarHBondContact O-CB 3.39Å; L103-E107 WeakPolarHBondContact O-CG 3.45Å; L103-E107 PolarHBondContact O-N 3.47Å
104	Y	44.8	Very low	45.5	Very low	140 Å²	140	87.9 Å²	87.9	55%	0.549	45%	0.446	S	S	.	.	H	α-helix	trans	-74.8	-38.4	179.4	-169.3	-106.2	0	0	0	112.9	D100 D101 L102 E107 I108	D100-Y104 PolarHBondContact O-N 3.18Å; D100-Y104 VanDerWaalsContact O-N 3.16Å; D101-Y104 PolarHBondContact O-N 2.85Å; L102-Y104 VanDerWaalsContact C-N 3.34Å; L102-Y104 PolarHBondContact O-N 2.89Å; Y104-E107 PolarHBondContact O-N 2.9Å; Y104-I108 HydrophobicContact CD1-CD1 4.25Å; Y104-I108 HydrophobicContact CD2-CD1 4.49Å; Y104-I108 HydrophobicContact CE1-CD1 3.72Å; Y104-I108 HydrophobicContact CE2-CD1 3.98Å; Y104-I108 PolarHBondContact O-N 3.05Å
105	A	35.9	Very low	45.8	Very low	43 Å²	43	88.8 Å²	88.8	36%	0.355	45%	0.445	S	S	.	.	H	α-helix	trans	-68.2	-39	173.6	0	0	0	0	0	111.6	D101 I108 L109	D101-A105 WeakPolarHBondContact O-CB 3.24Å; D101-A105 PolarHBondContact O-N 2.78Å; A105-I108 PolarHBondContact O-N 3.34Å; A105-L109 WeakPolarHBondContact O-CB 3.46Å; A105-L109 PolarHBondContact O-N 2.87Å
106	A	39.5	Very low	46.7	Very low	14 Å²	14	81 Å²	81	12%	0.116	41%	0.411	C	S	.	.	I	π-helix	trans	-68.4	-37.2	173.6	0	0	0	0	0	112.2	L102 I108 E110	L102-A106 WeakPolarHBondContact O-CB 3.34Å; L102-A106 PolarHBondContact O-N 3.31Å; A106-I108 PolarHBondContact O-N 2.86Å; A106-I108 VanDerWaalsContact O-N 3.14Å; A106-E110 HydrophobicContact CB-CB 4.42Å; A106-E110 HydrophobicContact CB-CG 4.48Å; A106-E110 WeakPolarHBondContact O-CB 3.37Å; A106-E110 PolarHBondContact O-N 3.41Å
107	E	47	Very low	47.5	Very low	132 Å²	132	81 Å²	81	62%	0.617	40%	0.401	S	S	*	.	I	π-helix	trans	-66.8	-12.9	174.4	-80.9	-165.8	148.2	0	0	114	L103 Y104 I111	L103-E107 WeakPolarHBondContact O-CB 3.39Å; L103-E107 WeakPolarHBondContact O-CG 3.45Å; L103-E107 PolarHBondContact O-N 3.47Å; Y104-E107 PolarHBondContact O-N 2.9Å; E107-I111 WeakPolarHBondContact O-CD1 3.27Å; E107-I111 WeakPolarHBondContact O-CG1 3.12Å
108	I	40.2	Very low	47.6	Very low	89 Å²	89	71.6 Å²	71.6	46%	0.456	36%	0.357	S	S	.	.	I	π-helix	trans	-117.9	-54	-176.9	-61.4	177.9	0	0	0	113	Y104 A105 A106	Y104-I108 HydrophobicContact CD1-CD1 4.25Å; Y104-I108 HydrophobicContact CD2-CD1 4.49Å; Y104-I108 HydrophobicContact CE1-CD1 3.72Å; Y104-I108 HydrophobicContact CE2-CD1 3.98Å; Y104-I108 PolarHBondContact O-N 3.05Å; A105-I108 PolarHBondContact O-N 3.34Å; A106-I108 PolarHBondContact O-N 2.86Å; A106-I108 VanDerWaalsContact O-N 3.14Å
109	L	42.9	Very low	48.2	Very low	128 Å²	128	69.8 Å²	69.8	67%	0.67	35%	0.347	S	S	*	.	I	π-helix	trans	-80.3	-37.6	-177	-67.7	168	0	0	0	112.5	A105 Y113	A105-L109 WeakPolarHBondContact O-CB 3.46Å; A105-L109 PolarHBondContact O-N 2.87Å; L109-Y113 PolarHBondContact O-N 2.89Å
110	E	51.3	Low	49.2	Very low	34 Å²	34	68.3 Å²	68.3	16%	0.159	34%	0.336	C	S	.	.	I	π-helix	trans	-68.4	-35.9	175.5	-95.3	171.1	-137.2	0	0	110.7	C54 A106 E112 Y113 L114	C54-E110 PolarHBondContact SG-OE2 2.89Å; A106-E110 HydrophobicContact CB-CB 4.42Å; A106-E110 HydrophobicContact CB-CG 4.48Å; A106-E110 WeakPolarHBondContact O-CB 3.37Å; A106-E110 PolarHBondContact O-N 3.41Å; E110-E112 PolarHBondContact O-N 3.39Å; E110-Y113 PolarHBondContact O-N 2.94Å; E110-L114 HydrophobicContact CB-CD1 3.93Å; E110-L114 HydrophobicContact CG-CD1 3.94Å; E110-L114 WeakPolarHBondContact O-CB 3.48Å; E110-L114 VanDerWaalsContact O-CD1 3.23Å; E110-L114 WeakPolarHBondContact O-CD1 3.4Å; E110-L114 PolarHBondContact O-N 2.88Å
111	I	49.9	Very low	49.8	Very low	40 Å²	40	66 Å²	66	21%	0.205	32%	0.323	C	S	.	.	H	α-helix	trans	-60.7	-49	-179.3	-64.3	-170.1	0	0	0	112.2	K57 I61 E107 Y113 E115	K57-I111 HydrophobicContact CG-CD1 4.35Å; I61-I111 HydrophobicContact CD1-CG1 4.43Å; I61-I111 HydrophobicContact CD1-CG2 4.08Å; E107-I111 WeakPolarHBondContact O-CD1 3.27Å; E107-I111 WeakPolarHBondContact O-CG1 3.12Å; I111-Y113 PolarHBondContact O-N 3.47Å; I111-E115 HydrophobicContact CG2-CG 4.34Å; I111-E115 VanDerWaalsContact O-CB 3.23Å; I111-E115 WeakPolarHBondContact O-CB 3.34Å; I111-E115 VanDerWaalsContact O-CG 3.22Å; I111-E115 WeakPolarHBondContact O-CG 3.22Å; I111-E115 PolarHBondContact O-N 2.98Å
112	E	50.8	Low	50.3	Low	157 Å²	157	64.9 Å²	64.9	73%	0.734	32%	0.317	S	S	*	.	H	α-helix	trans	-65.5	-38.5	179.3	-67.7	-167.9	160	0	0	112.4	E110 E116	E110-E112 PolarHBondContact O-N 3.39Å; E112-E116 PolarHBondContact O-N 3.19Å
113	Y	54.5	Low	51.5	Low	86 Å²	86	69.5 Å²	69.5	34%	0.337	34%	0.338	S	S	.	.	H	α-helix	trans	-70.8	-46.3	178.2	-174.8	-82.5	0	0	0	112.6	Y86 L109 E110 I111 E115 E116 Q117	Y86-Y113 HydrophobicContact CE1-CE1 4.32Å; Y86-Y113 HydrophobicContact CE2-CE1 4.04Å; Y86-Y113 AromaticContact CZ-CE1 3.53Å; Y86-Y113 VanDerWaalsContact OH-CD1 3.29Å; Y86-Y113 WeakPolarHBondContact OH-CD1 3.49Å; Y86-Y113 WeakPolarHBondContact OH-CE1 3.37Å; L109-Y113 PolarHBondContact O-N 2.89Å; E110-Y113 PolarHBondContact O-N 2.94Å; I111-Y113 PolarHBondContact O-N 3.47Å; Y113-E115 VanDerWaalsContact C-N 3.28Å; Y113-E115 PolarHBondContact O-N 3.44Å; Y113-E116 PolarHBondContact O-N 3.26Å; Y113-Q117 HydrophobicContact CD1-CG 3.79Å; Y113-Q117 HydrophobicContact CE1-CG 3.31Å; Y113-Q117 VanDerWaalsContact CZ-NE2 3.33Å; Y113-Q117 WeakPolarHBondContact O-CG 2.96Å; Y113-Q117 PolarHBondContact O-N 3.14Å; Y113-Q117 PolarHBondContact OH-NE2 3.41Å; Y113-Q117 VanDerWaalsContact OH-NE2 3.14Å
114	L	51.8	Low	52.5	Low	6 Å²	6	70.1 Å²	70.1	3%	0.031	35%	0.345	C	S	.	.	H	α-helix	trans	-61.3	-38	174.4	-88.8	54.5	0	0	0	110.6	M58 Y86 E110 C118	M58-L114 HydrophobicContact CE-CD2 4.34Å; M58-L114 HydrophobicContact CE-CG 4.11Å; M58-L114 HydrophobicContact CG-CD2 3.34Å; M58-L114 HydrophobicContact CG-CG 4.05Å; M58-L114 HydrophobicContact SD-CD2 3.9Å; M58-L114 HydrophobicContact SD-CG 4.31Å; Y86-L114 HydrophobicContact CE1-CD1 3.75Å; E110-L114 HydrophobicContact CB-CD1 3.93Å; E110-L114 HydrophobicContact CG-CD1 3.94Å; E110-L114 WeakPolarHBondContact O-CB 3.48Å; E110-L114 VanDerWaalsContact O-CD1 3.23Å; E110-L114 WeakPolarHBondContact O-CD1 3.4Å; E110-L114 PolarHBondContact O-N 2.88Å; L114-C118 WeakPolarHBondContact O-CB 3.29Å; L114-C118 PolarHBondContact O-N 3.41Å; L114-C118 PolarHBondContact O-SG 3.06Å
115	E	54	Low	53	Low	57 Å²	57	66 Å²	66	27%	0.266	33%	0.332	S	S	.	.	H	α-helix	trans	-60.5	-47.3	172.6	-81.9	-169.3	-166.2	0	0	111.5	I61 R65 I111 Y113 C118 L119	I61-E115 HydrophobicContact CG2-CG 3.82Å; R65-E115 IonicContact CZ-OE2 2.6Å; R65-E115 VanDerWaalsContact CZ-OE2 3.24Å; R65-E115 IonicContact NH1-OE1 2.79Å; R65-E115 IonicContact NH1-OE2 3.75Å; R65-E115 PolarHBondContact NH1-OE2 2.87Å; R65-E115 IonicContact NH2-OE2 2.85Å; R65-E115 PolarHBondContact NH2-OE2 2.75Å; I111-E115 HydrophobicContact CG2-CG 4.34Å; I111-E115 VanDerWaalsContact O-CB 3.23Å; I111-E115 WeakPolarHBondContact O-CB 3.34Å; I111-E115 VanDerWaalsContact O-CG 3.22Å; I111-E115 WeakPolarHBondContact O-CG 3.22Å; I111-E115 PolarHBondContact O-N 2.98Å; Y113-E115 VanDerWaalsContact C-N 3.28Å; Y113-E115 PolarHBondContact O-N 3.44Å; E115-C118 PolarHBondContact O-N 3.48Å; E115-L119 WeakPolarHBondContact O-CB 3.26Å; E115-L119 VanDerWaalsContact O-CG 3.25Å; E115-L119 WeakPolarHBondContact O-CG 3.39Å; E115-L119 PolarHBondContact O-N 3.46Å
116	E	60	Low	54	Low	39 Å²	39	68.9 Å²	68.9	18%	0.182	34%	0.338	C	S	.	.	H	α-helix	trans	-67.5	-36.4	179	-157.2	-171.8	-134.9	0	0	112.6	E112 Y113 L119 K120 T199	E112-E116 PolarHBondContact O-N 3.19Å; Y113-E116 PolarHBondContact O-N 3.26Å; E116-L119 PolarHBondContact O-N 3.39Å; E116-K120 WeakPolarHBondContact O-CG 3.23Å; E116-K120 PolarHBondContact O-N 2.91Å; E116-K120 IonicContact OE2-NZ 3.99Å; E116-K120 PolarHBondContact OE2-NZ 3.12Å; E116-T199 WeakPolarHBondContact OE1-CB 3.48Å; E116-T199 PolarHBondContact OE1-OG1 3.23Å
117	Q	59.2	Low	54.9	Low	61 Å²	61	70.4 Å²	70.4	29%	0.285	35%	0.351	S	S	.	.	H	α-helix	trans	-72.1	-39.2	174.8	-66	-58.3	-18.5	0	0	112.8	Y113 L119 K120 M121	Y113-Q117 HydrophobicContact CD1-CG 3.79Å; Y113-Q117 HydrophobicContact CE1-CG 3.31Å; Y113-Q117 VanDerWaalsContact CZ-NE2 3.33Å; Y113-Q117 WeakPolarHBondContact O-CG 2.96Å; Y113-Q117 PolarHBondContact O-N 3.14Å; Y113-Q117 PolarHBondContact OH-NE2 3.41Å; Y113-Q117 VanDerWaalsContact OH-NE2 3.14Å; Q117-L119 VanDerWaalsContact C-N 3.28Å; Q117-L119 PolarHBondContact O-N 3.31Å; Q117-K120 PolarHBondContact O-N 2.89Å; Q117-M121 VanDerWaalsContact O-CB 3.23Å; Q117-M121 WeakPolarHBondContact O-CB 3.15Å; Q117-M121 PolarHBondContact O-N 2.7Å
118	C	51.9	Low	55.4	Low	6 Å²	6	66.8 Å²	66.8	4%	0.041	34%	0.34	C	S	.	.	H	α-helix	trans	-61.8	-38.7	172.2	-75.3	0	0	0	0	111	L62 L114 E115 M121 L122	L62-C118 HydrophobicContact CD2-CB 3.96Å; L114-C118 WeakPolarHBondContact O-CB 3.29Å; L114-C118 PolarHBondContact O-N 3.41Å; L114-C118 PolarHBondContact O-SG 3.06Å; E115-C118 PolarHBondContact O-N 3.48Å; C118-M121 PolarHBondContact O-N 3.19Å; C118-L122 WeakPolarHBondContact O-CB 3.22Å; C118-L122 WeakPolarHBondContact O-CD1 3.41Å; C118-L122 WeakPolarHBondContact O-CG 3.49Å; C118-L122 PolarHBondContact O-N 3.42Å
119	L	57.3	Low	55.9	Low	69 Å²	69	66.6 Å²	66.6	36%	0.361	34%	0.34	S	S	.	.	H	α-helix	trans	-63.4	-49.5	173.3	-73.2	167.3	0	0	0	111.7	E115 E116 Q117 M121 L122 E123	E115-L119 WeakPolarHBondContact O-CB 3.26Å; E115-L119 VanDerWaalsContact O-CG 3.25Å; E115-L119 WeakPolarHBondContact O-CG 3.39Å; E115-L119 PolarHBondContact O-N 3.46Å; E116-L119 PolarHBondContact O-N 3.39Å; Q117-L119 VanDerWaalsContact C-N 3.28Å; Q117-L119 PolarHBondContact O-N 3.31Å; L119-M121 VanDerWaalsContact C-N 3.3Å; L119-M121 PolarHBondContact O-N 3.47Å; L119-L122 PolarHBondContact O-N 2.82Å; L119-E123 WeakPolarHBondContact O-CG 3.39Å; L119-E123 PolarHBondContact O-N 3.38Å
120	K	65.3	Low	56.3	Low	70 Å²	70	65.2 Å²	65.2	30%	0.304	33%	0.334	S	S	.	.	H	α-helix	trans	-59.2	-38.5	175.6	-73.1	167.9	-170.6	156.8	0	113.1	E116 Q117 E123 T124	E116-K120 WeakPolarHBondContact O-CG 3.23Å; E116-K120 PolarHBondContact O-N 2.91Å; E116-K120 IonicContact OE2-NZ 3.99Å; E116-K120 PolarHBondContact OE2-NZ 3.12Å; Q117-K120 PolarHBondContact O-N 2.89Å; K120-E123 PolarHBondContact O-N 2.7Å; K120-T124 PolarHBondContact O-N 2.78Å; K120-T124 PolarHBondContact O-OG1 3.47Å
121	M	59.9	Low	56.3	Low	51 Å²	51	68.7 Å²	68.7	25%	0.251	35%	0.353	S	S	.	.	H	α-helix	trans	-70.3	-36.8	178.3	-171.9	162.1	46.4	0	0	111.5	T79 I83 Q117 C118 L119 T124 I125	T79-M121 HydrophobicContact CG2-SD 3.79Å; I83-M121 HydrophobicContact CD1-CE 4.11Å; I83-M121 HydrophobicContact CG1-CE 4.06Å; Q117-M121 VanDerWaalsContact O-CB 3.23Å; Q117-M121 WeakPolarHBondContact O-CB 3.15Å; Q117-M121 PolarHBondContact O-N 2.7Å; C118-M121 PolarHBondContact O-N 3.19Å; L119-M121 VanDerWaalsContact C-N 3.3Å; L119-M121 PolarHBondContact O-N 3.47Å; M121-T124 WeakPolarHBondContact CA-OG1 3.27Å; M121-T124 PolarHBondContact O-N 3.29Å; M121-T124 PolarHBondContact O-OG1 3.46Å; M121-T124 VanDerWaalsContact O-OG1 3.07Å; M121-I125 WeakPolarHBondContact O-CD1 3.33Å; M121-I125 VanDerWaalsContact O-CG1 3.27Å; M121-I125 WeakPolarHBondContact O-CG1 3.3Å; M121-I125 PolarHBondContact O-N 2.96Å; M121-I125 VanDerWaalsContact O-N 3.11Å
122	L	54.4	Low	56.3	Low	35 Å²	35	72 Å²	72	18%	0.183	37%	0.371	C	S	.	.	H	α-helix	trans	-69.2	-39.4	171.2	-72.8	166	0	0	0	112.2	C118 L119 T124 I125 Q126	C118-L122 WeakPolarHBondContact O-CB 3.22Å; C118-L122 WeakPolarHBondContact O-CD1 3.41Å; C118-L122 WeakPolarHBondContact O-CG 3.49Å; C118-L122 PolarHBondContact O-N 3.42Å; L119-L122 PolarHBondContact O-N 2.82Å; L122-T124 VanDerWaalsContact C-N 3.32Å; L122-T124 PolarHBondContact O-N 2.93Å; L122-I125 PolarHBondContact O-N 3.29Å; L122-Q126 WeakPolarHBondContact O-CG 3.23Å; L122-Q126 PolarHBondContact O-N 3.24Å
123	E	65.7	Low	56.3	Low	121 Å²	121	68.2 Å²	68.2	57%	0.565	36%	0.359	S	S	*	.	H	α-helix	trans	-61.9	-37.9	173.6	-75.5	173.5	179.9	0	0	111.7	L119 K120 A127	L119-E123 WeakPolarHBondContact O-CG 3.39Å; L119-E123 PolarHBondContact O-N 3.38Å; K120-E123 PolarHBondContact O-N 2.7Å; E123-A127 VanDerWaalsContact O-CB 3.26Å; E123-A127 WeakPolarHBondContact O-CB 3.35Å; E123-A127 PolarHBondContact O-N 3.26Å
124	T	65.4	Low	56	Low	94 Å²	94	71.4 Å²	71.4	58%	0.577	38%	0.377	S	S	*	.	H	α-helix	trans	-71.4	-32.3	174.7	27.7	0	0	0	0	113.4	K120 M121 L122 S128	K120-T124 PolarHBondContact O-N 2.78Å; K120-T124 PolarHBondContact O-OG1 3.47Å; M121-T124 WeakPolarHBondContact CA-OG1 3.27Å; M121-T124 PolarHBondContact O-N 3.29Å; M121-T124 PolarHBondContact O-OG1 3.46Å; M121-T124 VanDerWaalsContact O-OG1 3.07Å; L122-T124 VanDerWaalsContact C-N 3.32Å; L122-T124 PolarHBondContact O-N 2.93Å; T124-S128 PolarHBondContact O-N 3.3Å; T124-S128 PolarHBondContact O-OG 3.4Å
125	I	55.5	Low	55.9	Low	55 Å²	55	74.8 Å²	74.8	28%	0.282	41%	0.406	S	S	.	.	H	α-helix	trans	-68.4	-44.2	172.8	-68.4	162.3	0	0	0	110.5	M121 L122 A127 S128 D129	M121-I125 WeakPolarHBondContact O-CD1 3.33Å; M121-I125 VanDerWaalsContact O-CG1 3.27Å; M121-I125 WeakPolarHBondContact O-CG1 3.3Å; M121-I125 PolarHBondContact O-N 2.96Å; M121-I125 VanDerWaalsContact O-N 3.11Å; L122-I125 PolarHBondContact O-N 3.29Å; I125-A127 PolarHBondContact O-N 2.78Å; I125-S128 WeakPolarHBondContact CA-OG 3.19Å; I125-S128 PolarHBondContact O-N 3.09Å; I125-S128 PolarHBondContact O-OG 2.69Å; I125-D129 PolarHBondContact O-N 3.07Å
126	Q	57.2	Low	55.7	Low	102 Å²	102	77.2 Å²	77.2	48%	0.477	42%	0.424	S	S	.	.	H	α-helix	trans	-61.5	-43.9	173.9	-72.6	178.1	-26.6	0	0	111.3	L122 S128 D129 D130	L122-Q126 WeakPolarHBondContact O-CG 3.23Å; L122-Q126 PolarHBondContact O-N 3.24Å; Q126-S128 VanDerWaalsContact C-N 3.29Å; Q126-S128 PolarHBondContact O-N 2.86Å; Q126-D129 PolarHBondContact O-N 3.33Å; Q126-D130 WeakPolarHBondContact O-CB 3.4Å; Q126-D130 PolarHBondContact O-N 3.49Å
127	A	58.6	Low	55.1	Low	47 Å²	47	82.3 Å²	82.3	39%	0.388	45%	0.45	S	S	.	.	H	α-helix	trans	-67.9	-21.9	176.9	0	0	0	0	0	114.2	E123 I125 N131	E123-A127 VanDerWaalsContact O-CB 3.26Å; E123-A127 WeakPolarHBondContact O-CB 3.35Å; E123-A127 PolarHBondContact O-N 3.26Å; I125-A127 PolarHBondContact O-N 2.78Å; A127-N131 WeakPolarHBondContact O-CB 3.47Å; A127-N131 PolarHBondContact O-N 3.39Å; A127-N131 PolarHBondContact O-ND2 3.36Å
128	S	57.7	Low	54.6	Low	55 Å²	55	83.7 Å²	83.7	39%	0.385	47%	0.472	S	S	.	.	H	α-helix	trans	-78.1	-43.4	168.7	51.5	0	0	0	0	111.9	T124 I125 Q126 D130 N131 D132	T124-S128 PolarHBondContact O-N 3.3Å; T124-S128 PolarHBondContact O-OG 3.4Å; I125-S128 WeakPolarHBondContact CA-OG 3.19Å; I125-S128 PolarHBondContact O-N 3.09Å; I125-S128 PolarHBondContact O-OG 2.69Å; Q126-S128 VanDerWaalsContact C-N 3.29Å; Q126-S128 PolarHBondContact O-N 2.86Å; S128-D130 VanDerWaalsContact C-N 3.33Å; S128-D130 PolarHBondContact O-N 3.29Å; S128-N131 PolarHBondContact O-N 3.35Å; S128-D132 PolarHBondContact O-N 2.98Å
129	D	51.4	Low	54.3	Low	85 Å²	85	90.7 Å²	90.7	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-65.4	-36.6	178.3	-68.3	-12.8	0	0	0	111.6	I125 Q126 T133	I125-D129 PolarHBondContact O-N 3.07Å; Q126-D129 PolarHBondContact O-N 3.33Å; D129-T133 WeakPolarHBondContact O-CB 3.26Å; D129-T133 WeakPolarHBondContact O-CG2 3.5Å; D129-T133 PolarHBondContact O-N 3.39Å; D129-T133 PolarHBondContact O-OG1 2.97Å
130	D	50.7	Low	53.5	Low	100 Å²	100	90.9 Å²	90.9	54%	0.535	53%	0.528	S	S	.	.	H	α-helix	trans	-69.2	-35.8	173.7	-73.1	-29.7	0	0	0	111.8	Q126 S128 T133 E134	Q126-D130 WeakPolarHBondContact O-CB 3.4Å; Q126-D130 PolarHBondContact O-N 3.49Å; S128-D130 VanDerWaalsContact C-N 3.33Å; S128-D130 PolarHBondContact O-N 3.29Å; D130-T133 WeakPolarHBondContact CA-OG1 3.4Å; D130-T133 PolarHBondContact O-OG1 2.81Å; D130-E134 WeakPolarHBondContact O-CB 3.42Å; D130-E134 WeakPolarHBondContact O-CG 3.4Å; D130-E134 PolarHBondContact O-N 3.09Å
131	N	51.6	Low	52.1	Low	107 Å²	107	91.4 Å²	91.4	57%	0.572	55%	0.553	S	S	*	*	H	α-helix	trans	-70	-41	173.6	-91.6	-75.1	0	0	0	112.3	A127 S128 T133 A135	A127-N131 WeakPolarHBondContact O-CB 3.47Å; A127-N131 PolarHBondContact O-N 3.39Å; A127-N131 PolarHBondContact O-ND2 3.36Å; S128-N131 PolarHBondContact O-N 3.35Å; N131-T133 VanDerWaalsContact C-N 3.31Å; N131-A135 WeakPolarHBondContact O-CB 3.2Å; N131-A135 PolarHBondContact O-N 3.24Å
132	D	48.9	Very low	51	Low	110 Å²	110	93.9 Å²	93.9	59%	0.588	58%	0.582	S	S	*	*	H	α-helix	trans	-70.3	-29.8	178.2	-76.2	-22.9	0	0	0	111.4	S128 T136	S128-D132 PolarHBondContact O-N 2.98Å; D132-T136 WeakPolarHBondContact O-CB 3.43Å; D132-T136 PolarHBondContact O-N 2.8Å; D132-T136 PolarHBondContact O-OG1 3.21Å
133	T	50.5	Low	50.8	Low	77 Å²	77	101.6 Å²	101.6	47%	0.472	62%	0.617	S	S	.	*	H	α-helix	trans	-78.8	-43.7	171.7	50.9	0	0	0	0	113.1	D129 D130 N131 A135 T136 M137	D129-T133 WeakPolarHBondContact O-CB 3.26Å; D129-T133 WeakPolarHBondContact O-CG2 3.5Å; D129-T133 PolarHBondContact O-N 3.39Å; D129-T133 PolarHBondContact O-OG1 2.97Å; D130-T133 WeakPolarHBondContact CA-OG1 3.4Å; D130-T133 PolarHBondContact O-OG1 2.81Å; N131-T133 VanDerWaalsContact C-N 3.31Å; T133-A135 VanDerWaalsContact C-N 3.31Å; T133-A135 PolarHBondContact O-N 3.15Å; T133-T136 PolarHBondContact O-N 3.09Å; T133-T136 VanDerWaalsContact O-N 3.08Å; T133-M137 WeakPolarHBondContact O-CB 3.5Å; T133-M137 WeakPolarHBondContact O-CG 3.36Å; T133-M137 PolarHBondContact O-N 2.86Å
134	E	48.6	Very low	50	Low	153 Å²	153	104.2 Å²	104.2	72%	0.715	63%	0.629	S	S	*	*	H	α-helix	trans	-62.7	-36.1	174	-77.2	-160.1	149.2	0	0	112.5	D130 T136	D130-E134 WeakPolarHBondContact O-CB 3.42Å; D130-E134 WeakPolarHBondContact O-CG 3.4Å; D130-E134 PolarHBondContact O-N 3.09Å; E134-T136 PolarHBondContact O-N 2.87Å
135	A	49.9	Very low	49.1	Very low	77 Å²	77	104.8 Å²	104.8	64%	0.636	63%	0.625	S	S	*	*	H	α-helix	trans	-66.6	-24.3	174.3	0	0	0	0	0	113.4	N131 T133	N131-A135 WeakPolarHBondContact O-CB 3.2Å; N131-A135 PolarHBondContact O-N 3.24Å; T133-A135 VanDerWaalsContact C-N 3.31Å; T133-A135 PolarHBondContact O-N 3.15Å
136	T	49.5	Very low	48.7	Very low	107 Å²	107	110.4 Å²	110.4	66%	0.656	65%	0.65	S	S	*	*	H	α-helix	trans	-96.8	-25.5	-179.8	-49	0	0	0	0	112.6	D132 T133 E134 A138	D132-T136 WeakPolarHBondContact O-CB 3.43Å; D132-T136 PolarHBondContact O-N 2.8Å; D132-T136 PolarHBondContact O-OG1 3.21Å; T133-T136 PolarHBondContact O-N 3.09Å; T133-T136 VanDerWaalsContact O-N 3.08Å; E134-T136 PolarHBondContact O-N 2.87Å; T136-A138 VanDerWaalsContact C-N 3.27Å; T136-A138 PolarHBondContact O-N 3Å
137	M	49.1	Very low	48.4	Very low	146 Å²	146	110 Å²	110	72%	0.719	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	1.7	-178.3	-67.7	-79.3	-100	0	0	113.9	T133 D139	T133-M137 WeakPolarHBondContact O-CB 3.5Å; T133-M137 WeakPolarHBondContact O-CG 3.36Å; T133-M137 PolarHBondContact O-N 2.86Å; M137-D139 VanDerWaalsContact C-N 3.3Å
138	A	47.4	Very low	48.3	Very low	91 Å²	91	117.3 Å²	117.3	75%	0.752	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-7.8	175.5	0	0	0	0	0	114.2	T136	T136-A138 VanDerWaalsContact C-N 3.27Å; T136-A138 PolarHBondContact O-N 3Å
139	D	46.8	Very low	48	Very low	152 Å²	152	120.9 Å²	120.9	81%	0.813	68%	0.678	S	S	*	*	S	Bend	trans	-132.5	102.4	-179.3	-167.1	22.4	0	0	0	112.6	M137	M137-D139 VanDerWaalsContact C-N 3.3Å
140	G	39	Very low	47.9	Very low	73 Å²	73	119.7 Å²	119.7	75%	0.753	68%	0.679	S	S	*	*	S	Bend	trans	97	113.9	156.5	0	0	0	0	0	119
141	G	35.9	Very low	48.1	Very low	81 Å²	81	122.7 Å²	122.7	84%	0.835	68%	0.683	S	S	*	*			trans	84.1	74.1	137.4	0	0	0	0	0	118.5	E143	G141-E143 PolarHBondContact O-N 3.49Å
142	A	36.3	Very low	47.7	Very low	104 Å²	104	125 Å²	125	86%	0.86	69%	0.685	S	S	*	*			trans	-73.1	110.3	163.5	0	0	0	0	0	111.3
143	E	50.2	Low	47.8	Very low	197 Å²	197	125.9 Å²	125.9	92%	0.921	69%	0.689	S	S	*	*	S	Bend	trans	-165.2	-14.3	157.7	-115.5	167.5	-143.5	0	0	115.5	G141	G141-E143 PolarHBondContact O-N 3.49Å
144	E	49.6	Very low	47.5	Very low	175 Å²	175	129.9 Å²	129.9	82%	0.818	70%	0.7	S	S	*	*	S	Bend	trans	-101.3	-5.2	-170	-66.4	-160.7	144.1	0	0	117.9
145	E	46.5	Very low	47.2	Very low	106 Å²	106	129.2 Å²	129.2	50%	0.495	70%	0.701	S	S	.	*	S	Bend	trans	-82	-33.8	-166.5	-151.4	-167.8	128.9	0	0	115.2	D147 R148 K149	E145-D147 PolarHBondContact O-N 3.45Å; E145-R148 PolarHBondContact O-N 3.33Å; E145-K149 WeakPolarHBondContact OE1-CE 3.21Å; E145-K149 IonicContact OE1-NZ 3.84Å; E145-K149 PolarHBondContact OE1-NZ 2.98Å
146	E	47.8	Very low	47.1	Very low	173 Å²	173	131.1 Å²	131.1	81%	0.808	70%	0.699	S	S	*	*	H	α-helix	trans	-66.9	-37.6	-170.5	-163.2	168.3	-161.1	0	0	112.5	R148 K149 A150	E146-R148 VanDerWaalsContact C-N 3.25Å; E146-R148 PolarHBondContact O-N 2.96Å; E146-K149 PolarHBondContact O-N 2.86Å; E146-A150 PolarHBondContact O-N 2.81Å
147	D	49.9	Very low	46.6	Very low	95 Å²	95	135 Å²	135	51%	0.508	71%	0.708	S	S	.	*	H	α-helix	trans	-73.1	-16.5	-179	-161.8	60.2	0	0	0	113.3	E145 R151	E145-D147 PolarHBondContact O-N 3.45Å; D147-R151 WeakPolarHBondContact O-CG 3.45Å; D147-R151 PolarHBondContact O-NE 2.83Å; D147-R151 IonicContact OD2-CZ 2.6Å; D147-R151 IonicContact OD2-NE 3.37Å; D147-R151 PolarHBondContact OD2-NE 2.96Å; D147-R151 IonicContact OD2-NH2 2.65Å; D147-R151 PolarHBondContact OD2-NH2 3.12Å
148	R	56.3	Low	45.9	Very low	200 Å²	200	135 Å²	135	76%	0.755	71%	0.709	S	S	*	*	H	α-helix	trans	-80.6	-39.2	175.9	-149.5	170.7	-170.7	149.7	-2.3	111.5	E145 E146 R151	E145-R148 PolarHBondContact O-N 3.33Å; E146-R148 VanDerWaalsContact C-N 3.25Å; E146-R148 PolarHBondContact O-N 2.96Å; R148-R151 PolarHBondContact O-N 2.77Å
149	K	52.8	Low	45.3	Very low	130 Å²	130	136.3 Å²	136.3	57%	0.565	71%	0.713	S	S	*	*	H	α-helix	trans	-67.7	-37.2	174.3	-76.9	168.1	171.2	162.9	0	111.8	E145 E146 R151 Y152 L153	E145-K149 WeakPolarHBondContact OE1-CE 3.21Å; E145-K149 IonicContact OE1-NZ 3.84Å; E145-K149 PolarHBondContact OE1-NZ 2.98Å; E146-K149 PolarHBondContact O-N 2.86Å; K149-R151 VanDerWaalsContact C-N 3.34Å; K149-R151 PolarHBondContact O-N 2.82Å; K149-Y152 PolarHBondContact O-N 3.38Å; K149-L153 PolarHBondContact O-N 3.07Å
150	A	49.6	Very low	44.6	Very low	59 Å²	59	138.8 Å²	138.8	49%	0.488	72%	0.716	S	S	.	*	H	α-helix	trans	-61.1	-36.7	175.7	0	0	0	0	0	113.8	E146	E146-A150 PolarHBondContact O-N 2.81Å
151	R	53.3	Low	44.1	Very low	164 Å²	164	144.9 Å²	144.9	62%	0.619	73%	0.725	S	S	*	*	H	α-helix	trans	-72.8	-30.7	178.3	-70.3	-178.7	-127.3	174.6	1.2	113.4	D147 R148 K149	D147-R151 WeakPolarHBondContact O-CG 3.45Å; D147-R151 PolarHBondContact O-NE 2.83Å; D147-R151 IonicContact OD2-CZ 2.6Å; D147-R151 IonicContact OD2-NE 3.37Å; D147-R151 PolarHBondContact OD2-NE 2.96Å; D147-R151 IonicContact OD2-NH2 2.65Å; D147-R151 PolarHBondContact OD2-NH2 3.12Å; R148-R151 PolarHBondContact O-N 2.77Å; K149-R151 VanDerWaalsContact C-N 3.34Å; K149-R151 PolarHBondContact O-N 2.82Å
152	Y	43	Very low	43.8	Very low	154 Å²	154	146.2 Å²	146.2	60%	0.604	72%	0.721	S	S	*	*	H	α-helix	trans	-71	-43.6	-178.4	-157.5	-99.6	0	0	0	112.3	K149 K154 N155 I156	K149-Y152 PolarHBondContact O-N 3.38Å; Y152-K154 VanDerWaalsContact C-N 3.27Å; Y152-K154 PolarHBondContact O-N 3.25Å; Y152-N155 PolarHBondContact O-N 3.47Å; Y152-I156 HydrophobicContact CD1-CD1 4.33Å; Y152-I156 HydrophobicContact CE1-CD1 4.24Å
153	L	51.4	Low	43.7	Very low	130 Å²	130	145.2 Å²	145.2	68%	0.681	71%	0.708	S	S	*	*	H	α-helix	trans	-64	-30.1	178.1	-74.6	168.1	0	0	0	113.3	K149 N155	K149-L153 PolarHBondContact O-N 3.07Å; L153-N155 VanDerWaalsContact C-N 3.31Å; L153-N155 PolarHBondContact O-N 3.42Å
154	K	44.3	Very low	43	Very low	160 Å²	160	143.9 Å²	143.9	70%	0.696	70%	0.702	S	S	*	*	H	α-helix	trans	-71.2	-23.9	-178	-156.4	167.9	-173.4	173	0	113.6	Y152	Y152-K154 VanDerWaalsContact C-N 3.27Å; Y152-K154 PolarHBondContact O-N 3.25Å
155	N	43.8	Very low	42.2	Very low	139 Å²	139	144.1 Å²	144.1	74%	0.743	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-11	-178.7	-75.6	-2.3	0	0	0	114.2	Y152 L153	Y152-N155 PolarHBondContact O-N 3.47Å; L153-N155 VanDerWaalsContact C-N 3.31Å; L153-N155 PolarHBondContact O-N 3.42Å
156	I	46.5	Very low	41.4	Very low	117 Å²	117	144.7 Å²	144.7	60%	0.6	72%	0.719	S	S	*	*	S	Bend	trans	-85.2	-17	-177.7	-65.8	175	0	0	0	112.2	Y152	Y152-I156 HydrophobicContact CD1-CD1 4.33Å; Y152-I156 HydrophobicContact CE1-CD1 4.24Å
157	F	38.9	Very low	40.7	Very low	189 Å²	189	140.1 Å²	140.1	83%	0.829	72%	0.717	S	S	*	*	S	Bend	trans	-101.5	4	-173.3	-107.2	-85.8	0	0	0	116.5
158	I	35	Very low	39.7	Very low	145 Å²	145	146.5 Å²	146.5	74%	0.744	74%	0.736	S	S	*	*			trans	-129.2	76.3	-177.5	-49.3	-179.9	0	0	0	111
159	S	35.1	Very low	38.6	Very low	119 Å²	119	140.6 Å²	140.6	83%	0.832	73%	0.73	S	S	*	*			trans	-158.5	53.7	164.1	-159	0	0	0	0	114
160	K	31	Very low	37.6	Very low	204 Å²	204	139.8 Å²	139.8	89%	0.887	74%	0.741	S	S	*	*			trans	-165.4	75	162.3	-116.6	171.1	-172.1	174	0	112.8
161	H	29.7	Very low	36.9	Very low	202 Å²	202	143.2 Å²	143.2	94%	0.935	76%	0.755	S	S	*	*			trans	-147.1	144.3	150.8	-116	-85.2	0	0	0	110.1
162	S	29.3	Very low	36	Very low	109 Å²	109	140.2 Å²	140.2	76%	0.762	77%	0.766	S	S	*	*			trans	-111.9	175.3	-173.6	-175.5	0	0	0	0	110.8
163	S	33.4	Very low	35.6	Very low	83 Å²	83	136.3 Å²	136.3	58%	0.58	77%	0.772	S	S	*	*			trans	89	109.9	164.9	-69.2	0	0	0	0	118.4
164	E	35.3	Very low	34.9	Very low	169 Å²	169	139.2 Å²	139.2	79%	0.79	78%	0.782	S	S	*	*				57.3	119.7	107.5	-62	155.5	136.6	0	0	120.1
165	E	32.9	Very low	34.3	Very low	180 Å²	180	136.2 Å²	136.2	84%	0.841	78%	0.781	S	S	*	*			trans	46.6	102.6	141.3	-59.9	-163	130.4	0	0	121.5
166	S	31.4	Very low	33.9	Very low	118 Å²	118	137.8 Å²	137.8	83%	0.825	79%	0.789	S	S	*	*				36.4	126	129.6	64.7	0	0	0	0	121.2
167	G	31.1	Very low	33.3	Very low	76 Å²	76	138.3 Å²	138.3	78%	0.784	80%	0.8	S	S	*	*			trans	-175.1	19	170.9	0	0	0	0	0	123.8
168	Y	29.6	Very low	33	Very low	229 Å²	229	132.9 Å²	132.9	90%	0.898	80%	0.798	S	S	*	*			trans	64.5	138.4	156.3	-145.3	-103	0	0	0	121.9
169	A	32.4	Very low	33	Very low	77 Å²	77	131.8 Å²	131.8	64%	0.636	80%	0.8	S	S	*	*			trans	51.1	115.3	163.5	0	0	0	0	0	119.8
170	S	31.8	Very low	33	Very low	113 Å²	113	135.5 Å²	135.5	79%	0.79	81%	0.807	S	S	*	*				79	121.2	54.8	-168.3	0	0	0	0	114.9
171	V	36.7	Very low	33	Very low	130 Å²	130	131.3 Å²	131.3	79%	0.788	80%	0.798	S	S	*	*				160.5	115.4	123	163.6	0	0	0	0	111.3
172	A	34.4	Very low	33.1	Very low	102 Å²	102	128.4 Å²	128.4	84%	0.843	79%	0.789	S	S	*	*			trans	35.9	140.5	145.7	0	0	0	0	0	123.7
173	G	34.6	Very low	33.2	Very low	71 Å²	71	131 Å²	131	73%	0.732	79%	0.789	S	S	*	*			trans	165.8	84.2	153.4	0	0	0	0	0	116.2
174	Q	36.1	Very low	32.8	Very low	191 Å²	191	132.6 Å²	132.6	89%	0.893	80%	0.8	S	S	*	*			trans	12.5	149	137.3	-60.8	168.2	21.7	0	0	119.3
175	S	31.6	Very low	32.7	Very low	97 Å²	97	130.4 Å²	130.4	68%	0.678	80%	0.801	S	S	*	*			cis	171.8	142.4	-11.2	51.5	0	0	0	0	106.9
176	L	34.8	Very low	32.5	Very low	172 Å²	172	127.2 Å²	127.2	90%	0.901	80%	0.798	S	S	*	*			trans	162.3	123.2	146.4	-92.7	157.3	0	0	0	111.8
177	P	35	Very low	32.3	Very low	129 Å²	129	127.2 Å²	127.2	84%	0.838	79%	0.793	S	S	*	*			trans	-107.6	160.7	171.5	38.4	-30.7	0	0	0	113.1
178	G	31.5	Very low	32.1	Very low	75 Å²	75	129.2 Å²	129.2	77%	0.773	80%	0.795	S	S	*	*			trans	-175.8	113.9	172.5	0	0	0	0	0	112.2
179	P	35.3	Very low	32.1	Very low	122 Å²	122	123.5 Å²	123.5	79%	0.792	78%	0.784	S	S	*	*			trans	-102.8	153.9	-171.9	37.9	-33.2	0	0	0	113.5
180	M	34.3	Very low	31.9	Very low	197 Å²	197	125.3 Å²	125.3	97%	0.97	79%	0.792	S	S	*	*			trans	-140.6	148.6	154.2	-65.3	-159.5	88.7	0	0	110.5
181	V	32.2	Very low	31.9	Very low	116 Å²	116	129.4 Å²	129.4	70%	0.703	80%	0.796	S	S	*	*			trans	-116.1	141.5	-167.4	166.5	0	0	0	0	109.6	Q183	V181-Q183 HydrophobicContact CG1-CG 4.29Å
182	D	31.8	Very low	31.5	Very low	140 Å²	140	126.6 Å²	126.6	75%	0.749	79%	0.794	S	S	*	*			trans	-163.4	102.3	142.3	-95.4	-31	0	0	0	108.5
183	Q	31.8	Very low	31.3	Very low	164 Å²	164	130.4 Å²	130.4	77%	0.766	80%	0.799	S	S	*	*				86.2	88.7	82.2	-81.4	-168.4	85.4	0	0	113.5	V181	V181-Q183 HydrophobicContact CG1-CG 4.29Å
184	S	25.1	Very low	30.9	Very low	117 Å²	117	132.7 Å²	132.7	82%	0.818	80%	0.804	S	S	*	*			trans	-97	135.7	158.7	-55.1	0	0	0	0	109.3	S186	S184-S186 PolarHBondContact O-N 3.45Å
185	P	33.4	Very low	30.8	Very low	122 Å²	122	128.2 Å²	128.2	79%	0.792	80%	0.799	S	S	*	*			trans	-89.4	100.5	170.6	32.3	-29.1	0	0	0	110.8	V187	P185-V187 PolarHBondContact O-N 3.14Å
186	S	26.9	Very low	30.7	Very low	113 Å²	113	130.5 Å²	130.5	79%	0.79	80%	0.801	S	S	*	*			trans	-77.4	113.4	161.1	51.6	0	0	0	0	109.4	S184	S184-S186 PolarHBondContact O-N 3.45Å
187	V	29	Very low	30.5	Very low	118 Å²	118	125.3 Å²	125.3	72%	0.715	78%	0.779	S	S	*	*			trans	-109.9	105.8	170.5	179	0	0	0	0	109	P185 T189	P185-V187 PolarHBondContact O-N 3.14Å; V187-T189 HydrophobicContact CG1-CG2 4.27Å
188	S	25.8	Very low	30.4	Very low	118 Å²	118	124.5 Å²	124.5	83%	0.825	77%	0.773	S	S	*	*			trans	-80.7	117.6	166.1	-57.3	0	0	0	0	109.2
189	T	30.5	Very low	30.9	Very low	110 Å²	110	124 Å²	124	68%	0.675	76%	0.756	S	S	*	*			trans	-138.7	106.5	161.2	44.4	0	0	0	0	109.8	V187 F191	V187-T189 HydrophobicContact CG1-CG2 4.27Å; T189-F191 PolarHBondContact O-N 2.81Å
190	S	28	Very low	31.1	Very low	115 Å²	115	123.4 Å²	123.4	80%	0.804	74%	0.741	S	S	*	*			trans	-65.4	122.2	169.5	49.7	0	0	0	0	111
191	F	31	Very low	31.4	Very low	198 Å²	198	117.1 Å²	117.1	87%	0.868	72%	0.72	S	S	*	*			trans	-137.4	140	161	-91.7	-83.9	0	0	0	109.6	T189	T189-F191 PolarHBondContact O-N 2.81Å
192	G	28.3	Very low	31.5	Very low	72 Å²	72	114 Å²	114	74%	0.742	71%	0.707	S	S	*	*			trans	-67.1	139.3	-157.7	0	0	0	0	0	115.7	S194	G192-S194 PolarHBondContact O-N 3.43Å; G192-S194 VanDerWaalsContact O-N 3.09Å
193	L	29.5	Very low	31.9	Very low	182 Å²	182	109.1 Å²	109.1	95%	0.953	68%	0.682	S	S	*	*			trans	-78.1	86.6	169.1	-68.5	174.4	0	0	0	110.3
194	S	27.9	Very low	32.3	Very low	119 Å²	119	105.4 Å²	105.4	83%	0.832	67%	0.667	S	S	*	*			trans	-126.8	66.8	170.5	-66.6	0	0	0	0	110.4	G192	G192-S194 PolarHBondContact O-N 3.43Å; G192-S194 VanDerWaalsContact O-N 3.09Å
195	A	34.1	Very low	33.3	Very low	96 Å²	96	103 Å²	103	79%	0.793	65%	0.65	S	S	*	*			trans	-133.2	111.3	170.8	0	0	0	0	0	108.9
196	M	28.9	Very low	33.5	Very low	146 Å²	146	103 Å²	103	72%	0.719	64%	0.643	S	S	*	*			trans	-60.7	135.9	-176.8	-67.7	-79.5	98.3	0	0	111.6	K200	M196-K200 HydrophobicContact SD-CD 4Å
197	S	31.2	Very low	34	Very low	62 Å²	62	102.8 Å²	102.8	43%	0.434	63%	0.631	S	S	.	*			trans	-57	135.5	169.2	174.7	0	0	0	0	110.5	T199 K200	S197-T199 PolarHBondContact O-N 3.23Å; S197-T199 PolarHBondContact OG-N 3.45Å; S197-T199 PolarHBondContact OG-OG1 3.39Å; S197-K200 PolarHBondContact O-N 3.07Å; S197-K200 VanDerWaalsContact O-N 3.12Å
198	P	32.1	Very low	35.1	Very low	112 Å²	112	101 Å²	101	73%	0.727	62%	0.621	S	S	*	*	H	α-helix	trans	-56.4	-21.2	173.8	-25.9	34.8	0	0	0	114.5
199	T	42.5	Very low	35.8	Very low	66 Å²	66	100 Å²	100	41%	0.405	61%	0.605	S	S	.	*	H	α-helix	trans	-67.5	-38.1	177.1	57.1	0	0	0	0	112.3	E116 S197 A201 A202 V203	E116-T199 WeakPolarHBondContact OE1-CB 3.48Å; E116-T199 PolarHBondContact OE1-OG1 3.23Å; S197-T199 PolarHBondContact O-N 3.23Å; S197-T199 PolarHBondContact OG-N 3.45Å; S197-T199 PolarHBondContact OG-OG1 3.39Å; T199-A201 PolarHBondContact O-N 3.33Å; T199-A202 PolarHBondContact O-N 2.76Å; T199-V203 WeakPolarHBondContact O-CG2 3.27Å; T199-V203 PolarHBondContact O-N 2.85Å
200	K	37.9	Very low	35.9	Very low	108 Å²	108	96.2 Å²	96.2	47%	0.47	59%	0.588	S	S	.	*	H	α-helix	trans	-62.9	-43.5	-178	-171	171.6	-178.3	175.9	0	112.2	M196 S197 A202 V203 D204	M196-K200 HydrophobicContact SD-CD 4Å; S197-K200 PolarHBondContact O-N 3.07Å; S197-K200 VanDerWaalsContact O-N 3.12Å; K200-A202 VanDerWaalsContact C-N 3.33Å; K200-A202 PolarHBondContact O-N 3.29Å; K200-V203 PolarHBondContact O-N 2.99Å; K200-D204 WeakPolarHBondContact O-CB 3.48Å; K200-D204 PolarHBondContact O-N 2.91Å
201	A	40.5	Very low	36.7	Very low	65 Å²	65	96.1 Å²	96.1	54%	0.537	57%	0.574	S	S	.	*	H	α-helix	trans	-65.3	-34.8	177.5	0	0	0	0	0	112.9	T199 S205	T199-A201 PolarHBondContact O-N 3.33Å; A201-S205 VanDerWaalsContact O-CB 3.31Å; A201-S205 WeakPolarHBondContact O-CB 3.38Å; A201-S205 PolarHBondContact O-N 3.26Å; A201-S205 VanDerWaalsContact O-N 3.09Å; A201-S205 PolarHBondContact O-OG 3.2Å
202	A	36.2	Very low	37.4	Very low	52 Å²	52	90.3 Å²	90.3	43%	0.43	56%	0.559	S	S	.	*	H	α-helix	trans	-71.1	-42.2	175.7	0	0	0	0	0	111.9	T199 K200 S205 L206	T199-A202 PolarHBondContact O-N 2.76Å; K200-A202 VanDerWaalsContact C-N 3.33Å; K200-A202 PolarHBondContact O-N 3.29Å; A202-S205 PolarHBondContact O-N 2.97Å; A202-L206 WeakPolarHBondContact O-CG 3.45Å; A202-L206 PolarHBondContact O-N 2.96Å
203	V	39.5	Very low	38.1	Very low	36 Å²	36	93.2 Å²	93.2	22%	0.218	56%	0.556	C	S	.	*	H	α-helix	trans	-67.8	-44.9	177.4	173	0	0	0	0	111.4	T199 K200 S205 L206 M207	T199-V203 WeakPolarHBondContact O-CG2 3.27Å; T199-V203 PolarHBondContact O-N 2.85Å; K200-V203 PolarHBondContact O-N 2.99Å; V203-S205 VanDerWaalsContact C-N 3.28Å; V203-S205 PolarHBondContact O-N 2.89Å; V203-L206 PolarHBondContact O-N 3.33Å; V203-M207 HydrophobicContact CG1-CG 4.28Å; V203-M207 WeakPolarHBondContact O-CB 3.44Å; V203-M207 VanDerWaalsContact O-CG 3.3Å; V203-M207 WeakPolarHBondContact O-CG 3.45Å; V203-M207 PolarHBondContact O-N 2.81Å
204	D	41	Very low	38.6	Very low	86 Å²	86	91.9 Å²	91.9	46%	0.46	55%	0.549	S	S	.	.	H	α-helix	trans	-62.6	-36.4	175.5	-73.6	-22.6	0	0	0	111.2	K200 T208	K200-D204 WeakPolarHBondContact O-CB 3.48Å; K200-D204 PolarHBondContact O-N 2.91Å; D204-T208 VanDerWaalsContact O-CB 3.28Å; D204-T208 WeakPolarHBondContact O-CB 3.49Å; D204-T208 PolarHBondContact O-N 3.39Å; D204-T208 PolarHBondContact O-OG1 3.29Å
205	S	45	Very low	39.6	Very low	67 Å²	67	93.9 Å²	93.9	47%	0.469	55%	0.545	S	S	.	.	H	α-helix	trans	-64.1	-45.5	173.2	-61.1	0	0	0	0	112.2	A201 A202 V203 T208 I209	A201-S205 VanDerWaalsContact O-CB 3.31Å; A201-S205 WeakPolarHBondContact O-CB 3.38Å; A201-S205 PolarHBondContact O-N 3.26Å; A201-S205 VanDerWaalsContact O-N 3.09Å; A201-S205 PolarHBondContact O-OG 3.2Å; A202-S205 PolarHBondContact O-N 2.97Å; V203-S205 VanDerWaalsContact C-N 3.28Å; V203-S205 PolarHBondContact O-N 2.89Å; S205-T208 PolarHBondContact O-N 3.26Å; S205-I209 WeakPolarHBondContact O-CD1 3.34Å; S205-I209 VanDerWaalsContact O-CG1 3.26Å; S205-I209 WeakPolarHBondContact O-CG1 3.48Å; S205-I209 PolarHBondContact O-N 3.27Å
206	L	38.4	Very low	39.7	Very low	122 Å²	122	91.9 Å²	91.9	64%	0.639	54%	0.535	S	S	*	.	H	α-helix	trans	-66.9	-39.5	178.2	-74.6	166.7	0	0	0	112.4	A202 V203 I209 G210	A202-L206 WeakPolarHBondContact O-CG 3.45Å; A202-L206 PolarHBondContact O-N 2.96Å; V203-L206 PolarHBondContact O-N 3.33Å; L206-I209 PolarHBondContact O-N 3.36Å; L206-G210 PolarHBondContact O-N 3.15Å
207	M	37	Very low	39.9	Very low	108 Å²	108	91.1 Å²	91.1	53%	0.532	54%	0.538	S	S	.	.	H	α-helix	trans	-67	-37.5	174.5	-69.2	-67.4	-78.4	0	0	111.7	V203 G210 Q211	V203-M207 HydrophobicContact CG1-CG 4.28Å; V203-M207 WeakPolarHBondContact O-CB 3.44Å; V203-M207 VanDerWaalsContact O-CG 3.3Å; V203-M207 WeakPolarHBondContact O-CG 3.45Å; V203-M207 PolarHBondContact O-N 2.81Å; M207-G210 PolarHBondContact O-N 3.12Å; M207-Q211 WeakPolarHBondContact O-CG 3.3Å; M207-Q211 PolarHBondContact O-N 2.84Å
208	T	51.8	Low	39.8	Very low	82 Å²	82	96.6 Å²	96.6	50%	0.503	56%	0.562	S	S	.	*	H	α-helix	trans	-65.8	-40.4	174.2	-57.3	0	0	0	0	111.5	D204 S205 Q211 S212	D204-T208 VanDerWaalsContact O-CB 3.28Å; D204-T208 WeakPolarHBondContact O-CB 3.49Å; D204-T208 PolarHBondContact O-N 3.39Å; D204-T208 PolarHBondContact O-OG1 3.29Å; S205-T208 PolarHBondContact O-N 3.26Å; T208-Q211 PolarHBondContact O-N 3.37Å; T208-S212 VanDerWaalsContact O-CB 3.32Å; T208-S212 WeakPolarHBondContact O-CB 3.46Å; T208-S212 PolarHBondContact O-N 3.45Å; T208-S212 PolarHBondContact O-OG 3.29Å
209	I	39.5	Very low	39.7	Very low	97 Å²	97	100.2 Å²	100.2	50%	0.497	57%	0.569	S	S	.	*	H	α-helix	trans	-63.3	-44.7	173.4	-69.2	162.5	0	0	0	110.3	S205 L206 S212 L213	S205-I209 WeakPolarHBondContact O-CD1 3.34Å; S205-I209 VanDerWaalsContact O-CG1 3.26Å; S205-I209 WeakPolarHBondContact O-CG1 3.48Å; S205-I209 PolarHBondContact O-N 3.27Å; L206-I209 PolarHBondContact O-N 3.36Å; I209-S212 PolarHBondContact O-N 2.93Å; I209-L213 HydrophobicContact CG2-CD1 3.97Å; I209-L213 WeakPolarHBondContact O-CG 3.32Å; I209-L213 PolarHBondContact O-N 2.83Å
210	G	33.5	Very low	39.1	Very low	30 Å²	30	102.8 Å²	102.8	31%	0.309	59%	0.587	S	S	.	*	H	α-helix	trans	-61.1	-43.8	176.5	0	0	0	0	0	113.6	L206 M207 L213 L214	L206-G210 PolarHBondContact O-N 3.15Å; M207-G210 PolarHBondContact O-N 3.12Å; G210-L213 PolarHBondContact O-N 3.07Å; G210-L214 PolarHBondContact O-N 2.93Å; G210-L214 VanDerWaalsContact O-N 3.16Å
211	Q	44.8	Very low	39	Very low	112 Å²	112	103.8 Å²	103.8	52%	0.523	60%	0.604	S	S	.	*	H	α-helix	trans	-68.5	-37.4	176	-72.9	-178.4	-1.8	0	0	112.5	M207 T208 L213 L214 Q215	M207-Q211 WeakPolarHBondContact O-CG 3.3Å; M207-Q211 PolarHBondContact O-N 2.84Å; T208-Q211 PolarHBondContact O-N 3.37Å; Q211-L213 VanDerWaalsContact C-N 3.31Å; Q211-L213 PolarHBondContact O-N 3.34Å; Q211-L214 PolarHBondContact O-N 3.44Å; Q211-Q215 PolarHBondContact O-N 2.97Å; Q211-Q215 VanDerWaalsContact O-N 3.1Å
212	S	45.6	Very low	38.8	Very low	77 Å²	77	105.7 Å²	105.7	54%	0.538	62%	0.62	S	S	.	*	H	α-helix	trans	-63.9	-36.1	175.3	-58.1	0	0	0	0	112.2	T208 I209	T208-S212 VanDerWaalsContact O-CB 3.32Å; T208-S212 WeakPolarHBondContact O-CB 3.46Å; T208-S212 PolarHBondContact O-N 3.45Å; T208-S212 PolarHBondContact O-OG 3.29Å; I209-S212 PolarHBondContact O-N 2.93Å
213	L	42.5	Very low	38.7	Very low	133 Å²	133	106.8 Å²	106.8	70%	0.696	64%	0.636	S	S	*	*	H	α-helix	trans	-71.4	-29.2	174.8	-73.1	166.1	0	0	0	113	I209 G210 Q211	I209-L213 HydrophobicContact CG2-CD1 3.97Å; I209-L213 WeakPolarHBondContact O-CG 3.32Å; I209-L213 PolarHBondContact O-N 2.83Å; G210-L213 PolarHBondContact O-N 3.07Å; Q211-L213 VanDerWaalsContact C-N 3.31Å; Q211-L213 PolarHBondContact O-N 3.34Å
214	L	41.6	Very low	38.7	Very low	154 Å²	154	111 Å²	111	81%	0.806	66%	0.664	S	S	*	*	H	α-helix	trans	-84.2	-20.5	179.5	-78.1	165	0	0	0	114.4	G210 Q211	G210-L214 PolarHBondContact O-N 2.93Å; G210-L214 VanDerWaalsContact O-N 3.16Å; Q211-L214 PolarHBondContact O-N 3.44Å
215	Q	47.7	Very low	38.3	Very low	160 Å²	160	116.5 Å²	116.5	75%	0.748	69%	0.687	S	S	*	*	S	Bend	trans	-99.5	-1.2	-179.4	-67.4	175.8	5.5	0	0	113.7	Q211	Q211-Q215 PolarHBondContact O-N 2.97Å; Q211-Q215 VanDerWaalsContact O-N 3.1Å
216	G	37.3	Very low	37.6	Very low	55 Å²	55	121.9 Å²	121.9	57%	0.567	71%	0.705	S	S	*	*	S	Bend	trans	-83.6	-21.5	-167.3	0	0	0	0	0	118.1
217	T	32.3	Very low	37.5	Very low	129 Å²	129	120.2 Å²	120.2	79%	0.791	70%	0.701	S	S	*	*			trans	-146.3	73.8	-170.1	34.7	0	0	0	0	114.7
218	L	28.9	Very low	37.2	Very low	178 Å²	178	120.7 Å²	120.7	93%	0.932	71%	0.711	S	S	*	*			trans	-136.1	78.8	160.4	-86.8	177.9	0	0	0	111.9
219	Q	30.4	Very low	36.4	Very low	187 Å²	187	124.2 Å²	124.2	87%	0.874	73%	0.726	S	S	*	*			trans	-156.9	123.8	152.3	-143.4	168.2	13.5	0	0	111.9
220	P	30.3	Very low	36.1	Very low	120 Å²	120	124.2 Å²	124.2	78%	0.779	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-94.4	140	178.2	34.9	-31.8	0	0	0	112.2
221	P	34.8	Very low	36.1	Very low	129 Å²	129	126.9 Å²	126.9	84%	0.838	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-91	155.2	159.7	34.5	-29.4	0	0	0	111.1
222	A	35.8	Very low	35.4	Very low	105 Å²	105	125.8 Å²	125.8	87%	0.868	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-103.3	152.2	-165.6	0	0	0	0	0	114.6
223	G	35.7	Very low	34.8	Very low	75 Å²	75	125.6 Å²	125.6	77%	0.773	80%	0.797	S	S	*	*			trans	101.2	136.6	139.3	0	0	0	0	0	116.9
224	P	38.1	Very low	34.2	Very low	124 Å²	124	131.3 Å²	131.3	81%	0.805	81%	0.809	S	S	*	*			trans	-119.4	159.6	-166.7	41.1	-29.3	0	0	0	114.9
225	E	33.5	Very low	33.6	Very low	202 Å²	202	132.7 Å²	132.7	94%	0.944	81%	0.811	S	S	*	*			trans	-148.7	144.3	146.9	-72.8	-155.6	129.9	0	0	111.5
226	E	29.4	Very low	33	Very low	181 Å²	181	130.9 Å²	130.9	85%	0.846	81%	0.813	S	S	*	*			trans	-132.6	178.1	171.7	-126.5	-143.2	151.1	0	0	105.9
227	P	36.6	Very low	32.6	Very low	86 Å²	86	131.5 Å²	131.5	56%	0.558	82%	0.819	S	S	*	*			cis	-143.9	-162.2	0.8	34.3	-9.3	0	0	0	115.3
228	T	32	Very low	32.7	Very low	119 Å²	119	132.3 Å²	132.3	73%	0.73	82%	0.824	S	S	*	*			trans	93.8	139.3	144	57.7	0	0	0	0	125.1
229	L	34.4	Very low	33	Very low	156 Å²	156	128.5 Å²	128.5	82%	0.817	82%	0.818	S	S	*	*			trans	98	89.1	145.1	-76.2	150.8	0	0	0	123.1
230	A	32.4	Very low	32.9	Very low	97 Å²	97	128 Å²	128	80%	0.802	82%	0.816	S	S	*	*				69.7	137.9	114.7	0	0	0	0	0	124.7
231	G	34.5	Very low	33.1	Very low	85 Å²	85	129.2 Å²	129.2	88%	0.876	82%	0.82	S	S	*	*			trans	105.5	134.4	163.3	0	0	0	0	0	114.6
232	G	30.5	Very low	32.9	Very low	89 Å²	89	129.8 Å²	129.8	92%	0.918	81%	0.81	S	S	*	*			cis	130.7	90.1	-5.4	0	0	0	0	0	114
233	G	31.4	Very low	32.8	Very low	74 Å²	74	131.4 Å²	131.4	76%	0.763	81%	0.809	S	S	*	*			trans	144.9	114.9	159.6	0	0	0	0	0	120.4
234	R	31.2	Very low	32.6	Very low	253 Å²	253	133.7 Å²	133.7	96%	0.955	80%	0.8	S	S	*	*			trans	61.6	124.4	136.6	-67	-178.6	170.1	-176.1	-3.9	123.6
235	H	27.9	Very low	32.1	Very low	182 Å²	182	135.8 Å²	135.8	84%	0.843	80%	0.801	S	S	*	*			trans	-38.8	166.2	145.8	-86.3	-73.4	0	0	0	115.8
236	P	35.6	Very low	32.1	Very low	122 Å²	122	134.6 Å²	134.6	79%	0.792	80%	0.797	S	S	*	*			cis	-152.5	165.4	41.7	41.8	-20.2	0	0	0	121.8
237	G	28.2	Very low	32.1	Very low	68 Å²	68	134.6 Å²	134.6	70%	0.701	80%	0.797	S	S	*	*			trans	48.9	128.9	132.2	0	0	0	0	0	124.3
238	V	34.5	Very low	31.9	Very low	146 Å²	146	136.8 Å²	136.8	89%	0.885	81%	0.809	S	S	*	*			trans	-145.8	129.9	153.8	-170.4	0	0	0	0	112.3
239	A	35.7	Very low	31.7	Very low	98 Å²	98	137.6 Å²	137.6	81%	0.81	81%	0.809	S	S	*	*			trans	57.9	122.4	155.3	0	0	0	0	0	123.4
240	E	28.6	Very low	31.4	Very low	177 Å²	177	138.6 Å²	138.6	83%	0.827	81%	0.809	S	S	*	*			trans	-77.4	153.5	157.9	-59.5	157.8	100.9	0	0	112.1
241	V	34.9	Very low	31.5	Very low	145 Å²	145	139.1 Å²	139.1	88%	0.879	80%	0.802	S	S	*	*			trans	-133.3	120.1	142.8	176.7	0	0	0	0	108.1
242	K	29.2	Very low	31.3	Very low	142 Å²	142	141.1 Å²	141.1	62%	0.617	80%	0.8	S	S	*	*			trans	-108	131.7	-178.8	-176.3	-167.5	-176.9	-146	0	108.9	E244	K242-E244 HydrophobicContact CD-CG 4.3Å; K242-E244 WeakPolarHBondContact CE-OE1 3.44Å; K242-E244 HydrophobicContact CG-CG 4.22Å; K242-E244 IonicContact NZ-OE1 2.64Å; K242-E244 PolarHBondContact NZ-OE1 3.03Å; K242-E244 IonicContact NZ-OE2 2.91Å; K242-E244 PolarHBondContact NZ-OE2 3Å
243	T	33.5	Very low	31.4	Very low	139 Å²	139	142.3 Å²	142.3	85%	0.853	79%	0.794	S	S	*	*			trans	-136	133.7	163.6	-56.5	0	0	0	0	108.7
244	E	32.1	Very low	31.4	Very low	122 Å²	122	147.6 Å²	147.6	57%	0.57	80%	0.799	S	S	*	*			trans	-104.9	151.7	-162.3	-71.3	-176.9	109.9	0	0	114.1	K242	K242-E244 HydrophobicContact CD-CG 4.3Å; K242-E244 WeakPolarHBondContact CE-OE1 3.44Å; K242-E244 HydrophobicContact CG-CG 4.22Å; K242-E244 IonicContact NZ-OE1 2.64Å; K242-E244 PolarHBondContact NZ-OE1 3.03Å; K242-E244 IonicContact NZ-OE2 2.91Å; K242-E244 PolarHBondContact NZ-OE2 3Å
245	M	27.8	Very low	31.5	Very low	168 Å²	168	143 Å²	143	83%	0.828	79%	0.793	S	S	*	*			trans	48.5	117.6	140	-61.9	166.1	81.6	0	0	119.8
246	M	32.9	Very low	31.7	Very low	177 Å²	177	139.4 Å²	139.4	87%	0.872	79%	0.789	S	S	*	*				-152.7	125.2	112.3	-133.5	162.3	81.6	0	0	111.5	V248	M246-V248 HydrophobicContact CE-CG2 4.38Å
247	Q	30.7	Very low	31.8	Very low	181 Å²	181	139.7 Å²	139.7	85%	0.846	79%	0.79	S	S	*	*			trans	-93.9	141.6	164.9	-74.5	169.7	-18.1	0	0	108.3
248	V	32.6	Very low	31.8	Very low	133 Å²	133	139.9 Å²	139.9	81%	0.806	79%	0.792	S	S	*	*			trans	-136.5	133.5	157.4	-178.2	0	0	0	0	106.8	M246	M246-V248 HydrophobicContact CE-CG2 4.38Å
249	D	27.7	Very low	31.8	Very low	136 Å²	136	138 Å²	138	73%	0.727	79%	0.792	S	S	*	*			trans	-112.2	168.7	-168.4	-133.2	-47.9	0	0	0	110.9
250	E	28.3	Very low	31.8	Very low	176 Å²	176	137.3 Å²	137.3	82%	0.822	79%	0.787	S	S	*	*			trans	62.9	154.1	170.9	-49	-172.3	97.1	0	0	117.2
251	V	33.3	Very low	31.9	Very low	108 Å²	108	137.7 Å²	137.7	66%	0.655	79%	0.788	S	S	*	*			cis	-144.7	146.7	8.9	-179.2	0	0	0	0	108.8
252	P	30.4	Very low	32	Very low	128 Å²	128	136.8 Å²	136.8	83%	0.831	79%	0.788	S	S	*	*			trans	-99.2	111.9	162.2	34.1	-25.7	0	0	0	112.1
253	S	33.7	Very low	32.2	Very low	113 Å²	113	135.7 Å²	135.7	79%	0.79	80%	0.799	S	S	*	*			trans	-98.5	134.5	176.3	-63.8	0	0	0	0	112.5
254	Q	31.6	Very low	32.3	Very low	186 Å²	186	137.4 Å²	137.4	87%	0.869	80%	0.801	S	S	*	*			trans	-78	150.9	174.8	-62.5	172.1	-29	0	0	111.4
255	D	33	Very low	32.4	Very low	157 Å²	157	137.2 Å²	137.2	84%	0.84	81%	0.813	S	S	*	*			trans	-155.2	150	144.7	-115.3	-43.3	0	0	0	113.1
256	S	32	Very low	32.9	Very low	106 Å²	106	133.2 Å²	133.2	74%	0.741	81%	0.814	S	S	*	*			trans	-177.8	171.8	-173.4	-80.3	0	0	0	0	107.5
257	P	36.8	Very low	32.8	Very low	128 Å²	128	128.4 Å²	128.4	83%	0.831	81%	0.811	S	S	*	*			cis	-134.5	-174.5	-15.3	32.9	-12	0	0	0	113.9
258	G	29.5	Very low	33.2	Very low	72 Å²	72	129.4 Å²	129.4	74%	0.742	82%	0.818	S	S	*	*				105.9	151.1	127.3	0	0	0	0	0	122
259	A	34.5	Very low	33.2	Very low	107 Å²	107	126.7 Å²	126.7	88%	0.884	82%	0.817	S	S	*	*			trans	68.4	149.6	163.1	0	0	0	0	0	119.1
260	A	34.8	Very low	33.7	Very low	83 Å²	83	128.2 Å²	128.2	69%	0.686	83%	0.825	S	S	*	*			cis	-164	152.9	-17.8	0	0	0	0	0	111.8
261	E	31.4	Very low	33.9	Very low	185 Å²	185	128.8 Å²	128.8	86%	0.864	82%	0.824	S	S	*	*			trans	41.3	131.9	142.6	-59.4	-179.8	160.1	0	0	123.6
262	S	36.8	Very low	34.2	Very low	125 Å²	125	130.7 Å²	130.7	87%	0.874	84%	0.836	S	S	*	*				-174.3	147.5	117	36.3	0	0	0	0	113.3
263	S	33	Very low	34.1	Very low	120 Å²	120	133 Å²	133	84%	0.839	84%	0.836	S	S	*	*			trans	-113.2	142.3	-175.5	-51.8	0	0	0	0	111.1
264	I	36.7	Very low	34.1	Very low	175 Å²	175	135.9 Å²	135.9	90%	0.897	84%	0.836	S	S	*	*			trans	-138.6	136.9	158.6	-52.5	-179.1	0	0	0	110.6
265	S	32.6	Very low	34	Very low	118 Å²	118	138.1 Å²	138.1	83%	0.825	84%	0.837	S	S	*	*			trans	-96.6	161.4	-177.9	51.5	0	0	0	0	113.2
266	G	38.1	Very low	33.9	Very low	83 Å²	83	134.2 Å²	134.2	86%	0.856	83%	0.834	S	S	*	*			trans	-170.4	122.2	166.7	0	0	0	0	0	110.4
267	G	32.4	Very low	33.9	Very low	77 Å²	77	139.3 Å²	139.3	79%	0.794	84%	0.842	S	S	*	*			trans	-143.5	159.5	-178.7	0	0	0	0	0	112.1
268	M	38.2	Very low	33.5	Very low	202 Å²	202	142.9 Å²	142.9	100%	0.995	85%	0.848	S	S	*	*			trans	-152.7	135.4	165	-100.2	155.1	162.9	0	0	105.9
269	G	32.4	Very low	33.7	Very low	76 Å²	76	142.5 Å²	142.5	78%	0.784	84%	0.844	S	S	*	*			trans	-119.7	-179.8	-177.2	0	0	0	0	0	111.4
270	D	38.6	Very low	33.4	Very low	168 Å²	168	143.9 Å²	143.9	90%	0.898	84%	0.844	S	S	*	*			trans	-145.6	151	155.9	-133.8	-39.9	0	0	0	111
271	K	31.7	Very low	33.1	Very low	188 Å²	188	143.3 Å²	143.3	82%	0.817	85%	0.846	S	S	*	*			trans	-108	127.9	-174.7	-88.1	-174	171.9	-171.9	0	110.6
272	V	39.7	Very low	33	Very low	147 Å²	147	140.5 Å²	140.5	89%	0.891	84%	0.841	S	S	*	*			trans	-137.6	123	149.3	-177.1	0	0	0	0	108.9
273	E	29.7	Very low	32.7	Very low	178 Å²	178	140.1 Å²	140.1	83%	0.832	84%	0.836	S	S	*	*			trans	-87.2	142.2	167	-63.2	179.8	107.3	0	0	109.6
274	E	33.8	Very low	32.9	Very low	172 Å²	172	139.5 Å²	139.5	80%	0.804	83%	0.827	S	S	*	*			trans	-167.3	150.2	134.9	-108.5	-87.8	74.2	0	0	112.6
275	R	29.1	Very low	32.5	Very low	234 Å²	234	140.1 Å²	140.1	88%	0.883	82%	0.818	S	S	*	*			trans	-67.2	151.2	-168.5	-65.3	153.5	153.9	-167.7	-7	114.3
276	G	30.4	Very low	32.2	Very low	75 Å²	75	137.8 Å²	137.8	77%	0.773	80%	0.802	S	S	*	*			trans	-169.3	45	177.7	0	0	0	0	0	120.8
277	K	33	Very low	31.7	Very low	212 Å²	212	137.3 Å²	137.3	92%	0.922	79%	0.786	S	S	*	*			trans	45.4	108.3	162.1	-73.1	179.6	176	175.5	0	118.8
278	E	26.9	Very low	31.5	Very low	204 Å²	204	135.7 Å²	135.7	95%	0.953	76%	0.76	S	S	*	*			trans	-66.7	150.7	165.2	-59.6	-178.8	117.5	0	0	113
279	G	33.6	Very low	31.1	Very low	63 Å²	63	132.5 Å²	132.5	65%	0.649	75%	0.746	S	S	*	*			trans	-148.2	140.5	168.1	0	0	0	0	0	110	G281	G279-G281 PolarHBondContact O-N 3.22Å; G279-G281 VanDerWaalsContact O-N 3.11Å
280	P	29	Very low	31.2	Very low	137 Å²	137	131.6 Å²	131.6	89%	0.89	73%	0.725	S	S	*	*			trans	-72.3	108.5	-165.2	27.2	-34.5	0	0	0	112.4	T282	P280-T282 PolarHBondContact O-N 2.82Å
281	G	27.9	Very low	31	Very low	70 Å²	70	128.3 Å²	128.3	72%	0.722	72%	0.716	S	S	*	*			trans	-76.5	109.6	176.6	0	0	0	0	0	112.4	G279	G279-G281 PolarHBondContact O-N 3.22Å; G279-G281 VanDerWaalsContact O-N 3.11Å
282	T	29.6	Very low	30.9	Very low	126 Å²	126	123.8 Å²	123.8	77%	0.773	71%	0.713	S	S	*	*			trans	-57	137.4	177.5	46	0	0	0	0	112.9	P280 T284	P280-T282 PolarHBondContact O-N 2.82Å; T282-T284 PolarHBondContact O-N 2.96Å
283	P	31.2	Very low	30.6	Very low	118 Å²	118	128.1 Å²	128.1	77%	0.766	71%	0.713	S	S	*	*			trans	-74.5	125.2	-179.1	28.8	-33.5	0	0	0	111.4	R285	P283-R285 PolarHBondContact O-N 2.86Å
284	T	35.8	Very low	30.8	Very low	106 Å²	106	127.8 Å²	127.8	65%	0.65	71%	0.712	S	S	*	*			trans	-73.1	113.5	175	33.8	0	0	0	0	111	T282 S286	T282-T284 PolarHBondContact O-N 2.96Å; T284-S286 PolarHBondContact O-N 3.46Å
285	R	28.2	Very low	30.7	Very low	188 Å²	188	126.6 Å²	126.6	71%	0.709	71%	0.71	S	S	*	*			trans	-72.5	89	-175.9	-177	177.1	166.3	-176.8	-6.1	111.9	P283	P283-R285 PolarHBondContact O-N 2.86Å
286	S	27.8	Very low	30.8	Very low	69 Å²	69	123.8 Å²	123.8	48%	0.483	71%	0.707	S	S	.	*			trans	-146.3	54.6	175.8	66.2	0	0	0	0	114	T284	T284-S286 PolarHBondContact O-N 3.46Å
287	S	26.1	Very low	30.8	Very low	73 Å²	73	129.9 Å²	129.9	51%	0.51	71%	0.708	S	S	.	*	S	Bend	trans	-168.2	168.3	155.8	49.3	0	0	0	0	109.2
288	V	29.4	Very low	30.7	Very low	43 Å²	43	123.7 Å²	123.7	26%	0.261	71%	0.705	S	S	.	*			trans	70.7	86	175.3	-157.3	0	0	0	0	116.1	T290 F555	V288-T290 HydrophobicContact CG1-CG2 3.71Å; V288-F555 HydrophobicContact CG2-CE1 3.73Å; V288-F555 HydrophobicContact CG2-CZ 3.69Å
289	I	29.1	Very low	30.9	Very low	135 Å²	135	124.3 Å²	124.3	69%	0.692	70%	0.698	S	S	*	*			trans	-98.1	99.9	145.1	-58.4	175	0	0	0	105.6
290	T	34	Very low	30.9	Very low	58 Å²	58	130.4 Å²	130.4	36%	0.356	71%	0.71	S	S	.	*	P	Polyproline II helix	trans	-94.6	133.3	165.3	32.8	0	0	0	0	108.4	V288	V288-T290 HydrophobicContact CG1-CG2 3.71Å
291	S	34.5	Very low	31.2	Very low	99 Å²	99	133.2 Å²	133.2	69%	0.692	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-69.2	147.1	176.6	-60.2	0	0	0	0	110.9
292	A	29.1	Very low	31.3	Very low	92 Å²	92	134.7 Å²	134.7	76%	0.76	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-66.8	137.4	171.8	0	0	0	0	0	109.9
293	R	34.8	Very low	31.6	Very low	239 Å²	239	133.1 Å²	133.1	90%	0.902	71%	0.71	S	S	*	*			trans	-107.5	132.3	165	-144.2	173.7	-169.3	160.9	3.2	106.8	L295	R293-L295 PolarHBondContact O-N 2.81Å
294	E	34.2	Very low	31.7	Very low	171 Å²	171	135.3 Å²	135.3	80%	0.799	71%	0.71	S	S	*	*			trans	-64	120	-170.6	-65.3	164.8	144.1	0	0	110.8	H296	E294-H296 PolarHBondContact O-N 2.73Å
295	L	31.1	Very low	31.6	Very low	147 Å²	147	137.5 Å²	137.5	77%	0.77	71%	0.713	S	S	*	*			trans	-87.4	97.3	166.3	-73	176.3	0	0	0	108.1	R293 Y297	R293-L295 PolarHBondContact O-N 2.81Å; L295-Y297 VanDerWaalsContact C-N 3.33Å; L295-Y297 HydrophobicContact CB-CD2 4.26Å; L295-Y297 HydrophobicContact CB-CE2 4.45Å; L295-Y297 PolarHBondContact O-N 3.42Å
296	H	31.7	Very low	32	Very low	175 Å²	175	134.6 Å²	134.6	81%	0.81	72%	0.715	S	S	*	*			trans	-62.9	94.6	165.6	-79	-78.2	0	0	0	109.9	E294	E294-H296 PolarHBondContact O-N 2.73Å
297	Y	30.8	Very low	32.6	Very low	202 Å²	202	136.8 Å²	136.8	79%	0.792	73%	0.728	S	S	*	*			trans	-88.4	104.2	160.4	-92.4	-84.1	0	0	0	108.8	L295 R299	L295-Y297 VanDerWaalsContact C-N 3.33Å; L295-Y297 HydrophobicContact CB-CD2 4.26Å; L295-Y297 HydrophobicContact CB-CE2 4.45Å; L295-Y297 PolarHBondContact O-N 3.42Å; Y297-R299 PolarHBondContact O-N 2.78Å
298	G	30	Very low	33.6	Very low	83 Å²	83	138.8 Å²	138.8	86%	0.856	74%	0.74	S	S	*	*			trans	-65.1	123.6	165.9	0	0	0	0	0	109.7
299	R	30.2	Very low	34.1	Very low	217 Å²	217	142.8 Å²	142.8	82%	0.819	77%	0.766	S	S	*	*			trans	-130.2	100	170.9	-178.3	177.5	-178.1	175	0.3	108	Y297	Y297-R299 PolarHBondContact O-N 2.78Å
300	E	35.1	Very low	34.6	Very low	190 Å²	190	140 Å²	140	89%	0.888	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-71.8	159.6	166.5	-69	-172.3	121.8	0	0	110.7
301	E	34.2	Very low	34.8	Very low	196 Å²	196	146.5 Å²	146.5	92%	0.916	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-69.8	152	-160.7	-69.8	170.1	87.2	0	0	114.2
302	S	30	Very low	35.1	Very low	101 Å²	101	146.2 Å²	146.2	71%	0.706	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-98.9	118.5	170.7	-55.6	0	0	0	0	109.5
303	A	37.2	Very low	35.6	Very low	93 Å²	93	145.4 Å²	145.4	77%	0.769	79%	0.794	S	S	*	*			trans	-122.9	117.3	163.7	0	0	0	0	0	109.4
304	E	32.8	Very low	35.8	Very low	164 Å²	164	143.1 Å²	143.1	77%	0.766	79%	0.794	S	S	*	*			trans	13.9	138.5	140.3	-75	178.3	108.4	0	0	119.5
305	Q	34.3	Very low	36.1	Very low	153 Å²	153	139.5 Å²	139.5	72%	0.715	79%	0.793	S	S	*	*			cis	-175.9	173.2	3	-157.5	163.6	64.7	0	0	110.5
306	V	36.3	Very low	36.9	Very low	126 Å²	126	137.8 Å²	137.8	76%	0.764	79%	0.791	S	S	*	*			trans	87	137.9	161.4	-168.7	0	0	0	0	119.3
307	P	39.4	Very low	37.3	Very low	116 Å²	116	136.2 Å²	136.2	75%	0.753	79%	0.794	S	S	*	*			trans	-114.2	177.2	-163.9	14.2	12.3	0	0	0	116.8
308	P	47.6	Very low	37.6	Very low	115 Å²	115	130.3 Å²	130.3	75%	0.747	79%	0.794	S	S	*	*			trans	-101.7	-176.1	-170.1	42.8	-38.1	0	0	0	114.7
309	P	40.3	Very low	37.9	Very low	127 Å²	127	137.8 Å²	137.8	83%	0.825	80%	0.797	S	S	*	*				-143	-161.2	96.1	41.6	-24.5	0	0	0	111.9
310	A	38.9	Very low	38.5	Very low	77 Å²	77	131.9 Å²	131.9	64%	0.636	79%	0.786	S	S	*	*			cis	-160.1	170.4	5.2	0	0	0	0	0	112.5
311	E	38.5	Very low	38.5	Very low	193 Å²	193	130.7 Å²	130.7	90%	0.902	78%	0.781	S	S	*	*			trans	55	149.6	149.3	-66.1	-169.8	149.6	0	0	122.6
312	A	41.2	Very low	38.7	Very low	94 Å²	94	129.2 Å²	129.2	78%	0.777	77%	0.774	S	S	*	*			cis	-167.8	152.5	-18.9	0	0	0	0	0	112.6
313	G	38.5	Very low	39.1	Very low	74 Å²	74	129.7 Å²	129.7	76%	0.763	77%	0.774	S	S	*	*			trans	81.3	153.1	159.9	0	0	0	0	0	118.7
314	Q	39.5	Very low	39	Very low	191 Å²	191	129.8 Å²	129.8	89%	0.893	78%	0.775	S	S	*	*			cis	-160.3	120.2	-6.4	-110.5	172.1	25.2	0	0	111.4
315	A	41.4	Very low	39.3	Very low	96 Å²	96	127.9 Å²	127.9	79%	0.793	78%	0.777	S	S	*	*				53.9	167	121.9	0	0	0	0	0	122.6
316	P	46.7	Very low	39.9	Very low	110 Å²	110	126 Å²	126	71%	0.714	78%	0.778	S	S	*	*				-141.2	-157.4	-121.9	38.4	-13.9	0	0	0	116.3
317	T	39.8	Very low	40.2	Very low	143 Å²	143	125.2 Å²	125.2	88%	0.877	78%	0.776	S	S	*	*			trans	119.5	139.9	148.4	67.6	0	0	0	0	119.3
318	G	37	Very low	40	Very low	78 Å²	78	126.9 Å²	126.9	80%	0.804	77%	0.773	S	S	*	*			trans	154.7	122.3	175.4	0	0	0	0	0	111
319	R	37.5	Very low	39.3	Very low	239 Å²	239	129.3 Å²	129.3	90%	0.902	77%	0.772	S	S	*	*			trans	-137.8	-166.7	-162.7	-144.7	-157.3	167.4	-168.4	-3.1	111.8
320	P	42	Very low	39	Very low	93 Å²	93	132.2 Å²	132.2	60%	0.604	77%	0.774	S	S	*	*				-125.2	-141.8	-110.4	46.3	-28.4	0	0	0	115.1
321	E	34.5	Very low	38.5	Very low	165 Å²	165	136.2 Å²	136.2	77%	0.771	78%	0.784	S	S	*	*			trans	105.1	109.6	163.2	-54.8	-156.8	96.8	0	0	115.7
322	H	39.9	Very low	38	Very low	166 Å²	166	130 Å²	130	77%	0.769	77%	0.772	S	S	*	*				105	165.7	69.2	-93.7	-64.7	0	0	0	111.6
323	P	38.1	Very low	37.4	Very low	110 Å²	110	132.2 Å²	132.2	71%	0.714	77%	0.769	S	S	*	*				-134.6	164.3	-81	36.7	-16.4	0	0	0	117.5
324	A	35.2	Very low	36.9	Very low	96 Å²	96	137.9 Å²	137.9	79%	0.793	77%	0.769	S	S	*	*			trans	30.3	175.2	145.6	0	0	0	0	0	123.6
325	P	38	Very low	36.2	Very low	123 Å²	123	133.7 Å²	133.7	80%	0.799	76%	0.761	S	S	*	*			cis	-136	-142.6	0.6	52.8	-32.8	0	0	0	112.6
326	P	47.5	Very low	35.7	Very low	115 Å²	115	135.4 Å²	135.4	75%	0.747	76%	0.761	S	S	*	*			trans	-126.8	-141.1	-146.9	44.1	-19.5	0	0	0	112.4
327	P	43.2	Very low	34.8	Very low	109 Å²	109	137.1 Å²	137.1	71%	0.708	76%	0.764	S	S	*	*			cis	-122.9	-178.5	-31.3	40.1	-25.1	0	0	0	112.9
328	E	35.6	Very low	34.2	Very low	150 Å²	150	135.6 Å²	135.6	70%	0.701	76%	0.756	S	S	*	*			trans	175.1	134.5	132.2	-98	-175.3	140	0	0	116.3
329	K	31.2	Very low	33.6	Very low	167 Å²	167	138.3 Å²	138.3	73%	0.726	75%	0.752	S	S	*	*			trans	24.7	118.6	140.3	-54.4	160.2	-173.4	163.1	0	120.3
330	H	35.2	Very low	33.4	Very low	188 Å²	188	134.4 Å²	134.4	87%	0.87	74%	0.744	S	S	*	*				-158.2	147.7	110.6	-133.7	-94.5	0	0	0	114.3
331	L	28.8	Very low	33.1	Very low	161 Å²	161	138.9 Å²	138.9	84%	0.843	75%	0.754	S	S	*	*			trans	-84.1	143.3	175.7	-95.6	62	0	0	0	111.9
332	G	27.7	Very low	33	Very low	63 Å²	63	135.3 Å²	135.3	65%	0.649	75%	0.752	S	S	*	*				102.3	143.9	112	0	0	0	0	0	120.1
333	I	27.7	Very low	32.7	Very low	140 Å²	140	135 Å²	135	72%	0.718	76%	0.756	S	S	*	*			trans	66.8	131.6	158.5	-21.9	-176.6	0	0	0	113.3
334	Y	28.4	Very low	32.6	Very low	193 Å²	193	133.6 Å²	133.6	76%	0.757	75%	0.754	S	S	*	*			cis	-141	157.2	35.6	-78.4	-101.5	0	0	0	109.5
335	S	25.5	Very low	32.6	Very low	103 Å²	103	134.8 Å²	134.8	72%	0.72	75%	0.751	S	S	*	*				56.5	158.1	61.1	-81.8	0	0	0	0	114.3
336	V	29.7	Very low	32.4	Very low	131 Å²	131	136.5 Å²	136.5	79%	0.794	75%	0.753	S	S	*	*			trans	86.1	134	-175.9	-178.8	0	0	0	0	113.4
337	L	29.1	Very low	31.7	Very low	147 Å²	147	135.3 Å²	135.3	77%	0.77	75%	0.747	S	S	*	*			cis	-171.4	159.3	-19.1	-164.6	64.6	0	0	0	107.1
338	P	27.1	Very low	31.6	Very low	110 Å²	110	138 Å²	138	71%	0.714	75%	0.752	S	S	*	*			trans	-68.7	139.5	169.8	-18.1	32.1	0	0	0	112.2
339	N	24.8	Very low	31.6	Very low	136 Å²	136	135.6 Å²	135.6	73%	0.727	75%	0.75	S	S	*	*			trans	35.8	107.3	136.4	-154.8	14.8	0	0	0	118
340	H	32.9	Very low	31.7	Very low	156 Å²	156	132.6 Å²	132.6	72%	0.722	75%	0.75	S	S	*	*				179.4	125.3	123.7	-106.7	-90.4	0	0	0	115.9
341	K	34.1	Very low	31.8	Very low	187 Å²	187	128.6 Å²	128.6	81%	0.813	74%	0.743	S	S	*	*			trans	15	126.9	148.5	-59.7	-177.5	177.6	-177.2	0	123
342	A	33.9	Very low	32.1	Very low	90 Å²	90	128 Å²	128	74%	0.744	75%	0.746	S	S	*	*				-149.7	149.3	117.5	0	0	0	0	0	106.3
343	D	33.3	Very low	32.2	Very low	159 Å²	159	131.6 Å²	131.6	85%	0.85	76%	0.756	S	S	*	*			cis	-128.1	167.1	28.2	-90	-59.8	0	0	0	116.2
344	A	34.8	Very low	32.6	Very low	81 Å²	81	131.2 Å²	131.2	67%	0.669	77%	0.765	S	S	*	*			trans	-31.5	159.6	164.4	0	0	0	0	0	117.9
345	V	36	Very low	32.9	Very low	122 Å²	122	125.3 Å²	125.3	74%	0.739	76%	0.763	S	S	*	*			cis	-155	142.8	38.7	-94.1	0	0	0	0	113.4
346	L	33.1	Very low	33.2	Very low	159 Å²	159	128.8 Å²	128.8	83%	0.832	77%	0.772	S	S	*	*			trans	52.8	138.7	142.5	-52.2	171	0	0	0	120.1
347	S	33	Very low	33.2	Very low	89 Å²	89	131.1 Å²	131.1	62%	0.622	77%	0.774	S	S	*	*			cis	-168.7	142.9	-0	-106.1	0	0	0	0	113.5
348	M	41.2	Very low	33.3	Very low	165 Å²	165	129.1 Å²	129.1	81%	0.813	77%	0.768	S	S	*	*			trans	73.9	151.3	144.6	-64.3	-56.7	100.8	0	0	122.2
349	P	35.7	Very low	33.4	Very low	101 Å²	101	132 Å²	132	66%	0.656	77%	0.772	S	S	*	*			trans	-139.8	-171.2	-134.2	42.4	-22.5	0	0	0	118
350	S	34.7	Very low	33.9	Very low	104 Å²	104	130.5 Å²	130.5	73%	0.727	77%	0.77	S	S	*	*			trans	68.8	121.3	158.3	44.7	0	0	0	0	117.9
351	S	36.1	Very low	33.7	Very low	104 Å²	104	127.4 Å²	127.4	73%	0.727	77%	0.771	S	S	*	*				-165.8	140.5	56.8	-61.7	0	0	0	0	114.8
352	V	36.3	Very low	33.5	Very low	147 Å²	147	126.7 Å²	126.7	89%	0.891	78%	0.775	S	S	*	*			trans	49.9	137.6	154.3	-55.2	0	0	0	0	121.6
353	T	29.5	Very low	33.2	Very low	140 Å²	140	126.9 Å²	126.9	86%	0.859	78%	0.777	S	S	*	*			trans	-120.8	157.2	-156.7	49.3	0	0	0	0	114.1
354	S	35.2	Very low	33.1	Very low	131 Å²	131	125 Å²	125	92%	0.916	77%	0.771	S	S	*	*			trans	-156.2	138.2	169	-74.5	0	0	0	0	110.6
355	G	35.7	Very low	32.9	Very low	69 Å²	69	126.1 Å²	126.1	71%	0.711	77%	0.774	S	S	*	*			trans	120.5	87.3	161.5	0	0	0	0	0	118.4
356	L	31.5	Very low	32.7	Very low	176 Å²	176	128.2 Å²	128.2	92%	0.921	78%	0.778	S	S	*	*			trans	64.7	116.5	142.6	-51.8	173.2	0	0	0	120.5
357	H	28.7	Very low	32.4	Very low	180 Å²	180	127.6 Å²	127.6	83%	0.833	78%	0.775	S	S	*	*				160.5	126.9	113.6	-166.4	-114.2	0	0	0	114.6
358	V	32.1	Very low	32.2	Very low	105 Å²	105	131.9 Å²	131.9	64%	0.636	78%	0.783	S	S	*	*			trans	82.4	123.4	152	147.3	0	0	0	0	124
359	Q	29.8	Very low	31.6	Very low	171 Å²	171	129.9 Å²	129.9	80%	0.799	79%	0.785	S	S	*	*			trans	63.1	162.3	157.8	-69	-92.2	-8.6	0	0	118.4
360	P	34.7	Very low	31.5	Very low	105 Å²	105	129.9 Å²	129.9	68%	0.682	78%	0.783	S	S	*	*			cis	-128.7	-176.2	-15	36.3	-17.9	0	0	0	114.3
361	A	27.8	Very low	31.3	Very low	91 Å²	91	136.2 Å²	136.2	75%	0.752	79%	0.793	S	S	*	*			trans	58.5	115.7	154.4	0	0	0	0	0	120.7
362	L	30.3	Very low	31	Very low	171 Å²	171	135 Å²	135	90%	0.895	80%	0.798	S	S	*	*			trans	-135.6	102.3	152.9	-75.4	178.4	0	0	0	110.2
363	A	28.2	Very low	30.7	Very low	94 Å²	94	131.6 Å²	131.6	78%	0.777	79%	0.791	S	S	*	*			trans	-80.8	125.7	156.8	0	0	0	0	0	107.5	S365	A363-S365 PolarHBondContact O-N 3.29Å; A363-S365 VanDerWaalsContact O-N 3.16Å
364	V	31.2	Very low	30.9	Very low	119 Å²	119	133.6 Å²	133.6	72%	0.721	80%	0.796	S	S	*	*			trans	-85.2	90.2	-178.8	-176.9	0	0	0	0	109.3	M366	V364-M366 HydrophobicContact CG1-CE 4.28Å; V364-M366 HydrophobicContact CG1-CG 3.94Å
365	S	30.4	Very low	30.7	Very low	106 Å²	106	135 Å²	135	74%	0.741	79%	0.792	S	S	*	*			trans	-79.3	116.9	158.6	-61.7	0	0	0	0	108.4	A363	A363-S365 PolarHBondContact O-N 3.29Å; A363-S365 VanDerWaalsContact O-N 3.16Å
366	M	31.9	Very low	30.6	Very low	166 Å²	166	136.6 Å²	136.6	82%	0.818	79%	0.79	S	S	*	*			trans	-100.2	99.9	166.5	-70.7	-148.5	-159.3	0	0	109.8	V364	V364-M366 HydrophobicContact CG1-CE 4.28Å; V364-M366 HydrophobicContact CG1-CG 3.94Å
367	D	25.7	Very low	30.6	Very low	145 Å²	145	137.1 Å²	137.1	78%	0.775	79%	0.788	S	S	*	*			trans	-85.5	118.7	158.8	-71.5	-52.2	0	0	0	108.4
368	F	30	Very low	30.8	Very low	179 Å²	179	132 Å²	132	79%	0.785	78%	0.784	S	S	*	*			trans	-141	58.1	172.3	-133.3	-87.2	0	0	0	113.1	T370	F368-T370 PolarHBondContact O-N 2.84Å
369	S	27.8	Very low	30.7	Very low	123 Å²	123	136 Å²	136	86%	0.86	79%	0.793	S	S	*	*			trans	-77.1	59.5	173.6	-63.7	0	0	0	0	112.9
370	T	34.9	Very low	30.8	Very low	101 Å²	101	134.1 Å²	134.1	62%	0.62	79%	0.787	S	S	*	*			trans	-151.3	98.3	167.1	-32.1	0	0	0	0	111.3	F368	F368-T370 PolarHBondContact O-N 2.84Å
371	Y	30.2	Very low	30.7	Very low	237 Å²	237	136.6 Å²	136.6	93%	0.929	79%	0.79	S	S	*	*			trans	174.9	85.6	138.9	-106.7	-75.5	0	0	0	109
372	G	28.6	Very low	30.9	Very low	80 Å²	80	141.9 Å²	141.9	83%	0.825	79%	0.791	S	S	*	*			trans	-103.7	138.5	168.5	0	0	0	0	0	110.3
373	G	31.7	Very low	31	Very low	74 Å²	74	142.7 Å²	142.7	76%	0.763	79%	0.79	S	S	*	*			trans	119.1	91.3	170.7	0	0	0	0	0	114.4
374	L	32.7	Very low	31.2	Very low	182 Å²	182	144.2 Å²	144.2	95%	0.953	78%	0.784	S	S	*	*				-163.6	127	98.6	-92.2	166.4	0	0	0	110.2
375	L	30.4	Very low	31.4	Very low	161 Å²	161	148.9 Å²	148.9	84%	0.843	80%	0.795	S	S	*	*			trans	-66.7	172	175.8	-87.2	163.9	0	0	0	111.6
376	P	34.5	Very low	31.6	Very low	102 Å²	102	149 Å²	149	66%	0.662	80%	0.796	S	S	*	*			cis	-154.4	170.1	37.7	42.5	-20.2	0	0	0	122.1
377	Q	30.3	Very low	31.7	Very low	187 Å²	187	147 Å²	147	87%	0.874	78%	0.783	S	S	*	*			trans	70.8	116.1	144.3	-81.5	167.2	-21.1	0	0	121.6
378	G	33.3	Very low	31.9	Very low	74 Å²	74	147.6 Å²	147.6	76%	0.763	79%	0.785	S	S	*	*			trans	173.5	78.2	162.8	0	0	0	0	0	116
379	F	30.9	Very low	32.2	Very low	187 Å²	187	142.9 Å²	142.9	82%	0.82	79%	0.787	S	S	*	*			trans	48.3	101.5	158.4	-80.8	-108.2	0	0	0	119.4
380	I	31.1	Very low	32.4	Very low	132 Å²	132	142.8 Å²	142.8	68%	0.677	77%	0.773	S	S	*	*				64.3	107.3	88.5	-62.1	159.2	0	0	0	111.4
381	Q	33.8	Very low	32.1	Very low	158 Å²	158	145.7 Å²	145.7	74%	0.738	78%	0.784	S	S	*	*				-168.2	123.9	59.9	-163.1	169.7	-47.1	0	0	115.4
382	R	31.7	Very low	32.2	Very low	202 Å²	202	138.5 Å²	138.5	76%	0.762	77%	0.773	S	S	*	*			trans	46.1	110.3	145.4	-55.9	161.9	94.1	155.9	3.9	118.7
383	E	31.7	Very low	32.4	Very low	187 Å²	187	141.6 Å²	141.6	87%	0.874	78%	0.776	S	S	*	*				48.5	60.2	69.8	-59.3	-166.9	127.9	0	0	115.4
384	L	31.9	Very low	32.3	Very low	126 Å²	126	141.5 Å²	141.5	66%	0.66	77%	0.774	S	S	*	*			trans	-131.3	2.5	162.6	-143.5	85.3	0	0	0	115.2	S386	L384-S386 VanDerWaalsContact C-N 3.28Å; L384-S386 PolarHBondContact O-N 3.4Å
385	F	36.2	Very low	32.4	Very low	218 Å²	218	142.1 Å²	142.1	96%	0.956	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-5.7	175.2	-91	-85.2	0	0	0	114.4
386	S	33.7	Very low	32.4	Very low	109 Å²	109	144.1 Å²	144.1	76%	0.762	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	14.4	-176.6	-49.5	0	0	0	0	114.5	L384	L384-S386 VanDerWaalsContact C-N 3.28Å; L384-S386 PolarHBondContact O-N 3.4Å
387	K	35	Very low	32.5	Very low	123 Å²	123	145.1 Å²	145.1	54%	0.535	79%	0.786	S	S	.	*	S	Bend	trans	-132.1	4.9	-170.5	-97.7	-67.1	169.6	-150	0	118.9	E390	K387-E390 IonicContact NZ-OE1 3.52Å; K387-E390 PolarHBondContact NZ-OE1 3.48Å; K387-E390 IonicContact NZ-OE2 3.85Å; K387-E390 PolarHBondContact NZ-OE2 3.14Å
388	L	30.6	Very low	32.5	Very low	157 Å²	157	145 Å²	145	82%	0.822	79%	0.786	S	S	*	*	S	Bend	trans	-123.4	21.6	177.2	-78	169.6	0	0	0	114.9
389	G	34.6	Very low	32.5	Very low	80 Å²	80	147.4 Å²	147.4	83%	0.825	79%	0.791	S	S	*	*	S	Bend	trans	-89.8	5.8	161.6	0	0	0	0	0	114.2
390	E	32.7	Very low	32.7	Very low	121 Å²	121	150.3 Å²	150.3	57%	0.565	80%	0.796	S	S	*	*	S	Bend	trans	-105.6	2.3	-164.9	-72.4	-177.7	170.2	0	0	115.8	K387	K387-E390 IonicContact NZ-OE1 3.52Å; K387-E390 PolarHBondContact NZ-OE1 3.48Å; K387-E390 IonicContact NZ-OE2 3.85Å; K387-E390 PolarHBondContact NZ-OE2 3.14Å
391	L	29	Very low	33.4	Very low	163 Å²	163	150.5 Å²	150.5	85%	0.853	80%	0.803	S	S	*	*			trans	-126.5	49.2	178.1	-71.3	175.7	0	0	0	113.4
392	A	31.2	Very low	34	Very low	85 Å²	85	150.9 Å²	150.9	70%	0.702	81%	0.809	S	S	*	*			trans	-72.6	146.8	143.8	0	0	0	0	0	108.9
393	V	33.8	Very low	34.9	Very low	146 Å²	146	142.6 Å²	142.6	89%	0.885	79%	0.787	S	S	*	*	S	Bend	trans	78.7	91.5	178.2	-165.9	0	0	0	0	116.2
394	G	28.4	Very low	36.1	Very low	71 Å²	71	137.9 Å²	137.9	73%	0.732	76%	0.764	S	S	*	*			trans	96.4	110.4	140.4	0	0	0	0	0	118.4
395	M	36.4	Very low	37.5	Very low	196 Å²	196	137.5 Å²	137.5	97%	0.966	76%	0.759	S	S	*	*				-177.5	144.5	108.4	-93.2	-179.6	84.4	0	0	110.5
396	K	29.4	Very low	39.1	Very low	203 Å²	203	127.2 Å²	127.2	88%	0.883	71%	0.714	S	S	*	*			trans	-88	136.9	175.5	-62.8	171.8	176.9	177.3	0	110
397	S	37.3	Very low	40.5	Very low	123 Å²	123	127.3 Å²	127.3	86%	0.86	72%	0.715	S	S	*	*			trans	-169.5	144.3	141.5	45	0	0	0	0	111.6
398	E	29.2	Very low	41.4	Very low	185 Å²	185	123.5 Å²	123.5	86%	0.864	70%	0.702	S	S	*	*			trans	-89.2	141.1	-179.2	-56	148.3	124.7	0	0	110.3
399	S	33.9	Very low	42.8	Very low	123 Å²	123	118.5 Å²	118.5	86%	0.86	68%	0.68	S	S	*	*			trans	177.7	147.2	130.1	-84.1	0	0	0	0	113.2
400	R	35.1	Very low	44.3	Very low	249 Å²	249	116.9 Å²	116.9	94%	0.94	66%	0.663	S	S	*	*			trans	-73.1	124.8	-172.7	-60.8	162.2	178.4	163.2	-2.2	112.2
401	T	45	Very low	46.2	Very low	135 Å²	135	114.2 Å²	114.2	83%	0.828	66%	0.655	S	S	*	*			trans	-131.9	135.9	154.5	46.6	0	0	0	0	108.4	G403	T401-G403 PolarHBondContact O-N 2.91Å; T401-G403 VanDerWaalsContact O-N 3.07Å
402	I	46.2	Very low	48.2	Very low	167 Å²	167	113 Å²	113	86%	0.856	64%	0.644	S	S	*	*			trans	-82.7	88.2	-174.8	-58.4	169.8	0	0	0	107.9
403	G	51.8	Low	50.2	Low	28 Å²	28	110.2 Å²	110.2	29%	0.289	62%	0.618	S	S	.	*	P	Polyproline II helix	trans	-73.2	136.2	171	0	0	0	0	0	110.5	T401 L413	T401-G403 PolarHBondContact O-N 2.91Å; T401-G403 VanDerWaalsContact O-N 3.07Å; G403-L413 WeakPolarHBondContact CA-O 3.47Å
404	E	56.8	Low	51.8	Low	87 Å²	87	107.8 Å²	107.8	41%	0.407	61%	0.605	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.5	134.7	175.8	-78.4	-172.3	-176.3	0	0	110.6	L413 N416 V419	E404-L413 PolarHBondContact N-O 3.18Å; E404-L413 VanDerWaalsContact N-O 3.13Å; E404-L413 PolarHBondContact O-N 2.77Å; E404-N416 PolarHBondContact OE1-ND2 2.94Å; E404-N416 VanDerWaalsContact OE2-CG 3.3Å; E404-N416 PolarHBondContact OE2-ND2 3.25Å; E404-N416 PolarHBondContact OE2-OD1 3.12Å; E404-V419 HydrophobicContact CB-CG2 3.74Å
405	Q	61.9	Low	54.1	Low	119 Å²	119	109.3 Å²	109.3	56%	0.556	60%	0.597	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.8	133.3	-178.9	-73.1	176.5	6.3	0	0	111.4	S407 V411 E412	Q405-S407 PolarHBondContact O-N 3.3Å; Q405-V411 WeakPolarHBondContact CA-O 3.37Å; Q405-E412 HydrophobicContact CG-CB 4.49Å; Q405-E412 HydrophobicContact CG-CG 3.43Å; Q405-E412 VanDerWaalsContact CG-CG 3.43Å; Q405-E412 PolarHBondContact NE2-OE1 3.36Å
406	C	69.4	Low	55.8	Low	2 Å²	2	105.1 Å²	105.1	1%	0.014	58%	0.578	C	S	.	*	P	Polyproline II helix	trans	-66.8	121	171.2	-178.4	0	0	0	0	111.2	V408 C409 G410 V411 H422 H426	C406-V408 PolarHBondContact O-N 3Å; C406-C409 PolarHBondContact O-N 3.22Å; C406-G410 WeakPolarHBondContact O-CA 3.35Å; C406-G410 PolarHBondContact O-N 3.15Å; C406-V411 PolarHBondContact N-O 3.22Å; C406-H422 PolarHBondContact SG-CD2 2.81Å; C406-H426 VanDerWaalsContact SG-CD2 3.57Å
407	S	61.9	Low	58.1	Low	111 Å²	111	102.2 Å²	102.2	78%	0.776	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-8.3	-178.4	57.7	0	0	0	0	115.9	Q405	Q405-S407 PolarHBondContact O-N 3.3Å
408	V	54.4	Low	59.6	Low	42 Å²	42	97.6 Å²	97.6	26%	0.255	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-34.3	179.7	-173.9	0	0	0	0	112.1	C406 H426 L442	C406-V408 PolarHBondContact O-N 3Å; V408-H426 HydrophobicContact CG1-CB 4.4Å; V408-H426 VanDerWaalsContact CG1-ND1 3.33Å; V408-H426 WeakPolarHBondContact CG1-ND1 3.34Å; V408-H426 HydrophobicContact CG2-CB 4.31Å; V408-L442 HydrophobicContact CG1-CD1 3.97Å; V408-L442 HydrophobicContact CG1-CG 4.26Å; V408-L442 WeakPolarHBondContact O-CD1 3.37Å
409	C	60	Low	61.5	Low	53 Å²	53	89.3 Å²	89.3	36%	0.358	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.8	-1.9	-173.5	68	0	0	0	0	115.5	C406 V411 H422	C406-C409 PolarHBondContact O-N 3.22Å; C409-V411 VanDerWaalsContact C-N 3.28Å; C409-V411 PolarHBondContact O-N 2.8Å; C409-H422 PolarHBondContact SG-NE2 3.04Å
410	G	66.4	Low	63	Low	46 Å²	46	87.7 Å²	87.7	47%	0.474	48%	0.478	S	S	.	.			trans	73	8	176.9	0	0	0	0	0	116.1	C406 E412	C406-G410 WeakPolarHBondContact O-CA 3.35Å; C406-G410 PolarHBondContact O-N 3.15Å; G410-E412 PolarHBondContact O-N 3.49Å
411	V	72.9	Confident	64.5	Low	65 Å²	65	81.2 Å²	81.2	39%	0.394	46%	0.458	S	S	.	.			trans	-70.4	123.6	178.5	175.7	0	0	0	0	109.5	Q405 C406 C409 L413	Q405-V411 WeakPolarHBondContact CA-O 3.37Å; C406-V411 PolarHBondContact N-O 3.22Å; C409-V411 VanDerWaalsContact C-N 3.28Å; C409-V411 PolarHBondContact O-N 2.8Å; V411-L413 HydrophobicContact CG1-CD2 3.96Å; V411-L413 HydrophobicContact CG1-CG 4.09Å
412	E	70.5	Confident	65.6	Low	136 Å²	136	76.3 Å²	76.3	64%	0.636	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	126.9	169.3	-74.5	-178.3	173.3	0	0	110	Q405 G410	Q405-E412 HydrophobicContact CG-CB 4.49Å; Q405-E412 HydrophobicContact CG-CG 3.43Å; Q405-E412 VanDerWaalsContact CG-CG 3.43Å; Q405-E412 PolarHBondContact NE2-OE1 3.36Å; G410-E412 PolarHBondContact O-N 3.49Å
413	L	74.2	Confident	66.6	Low	27 Å²	27	74.5 Å²	74.5	14%	0.141	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	144.3	-179.3	-66.1	164	0	0	0	109.5	G403 E404 V411 D415 A418 V419 H422	G403-L413 WeakPolarHBondContact CA-O 3.47Å; E404-L413 PolarHBondContact N-O 3.18Å; E404-L413 VanDerWaalsContact N-O 3.13Å; E404-L413 PolarHBondContact O-N 2.77Å; V411-L413 HydrophobicContact CG1-CD2 3.96Å; V411-L413 HydrophobicContact CG1-CG 4.09Å; L413-D415 VanDerWaalsContact C-N 3.33Å; L413-D415 PolarHBondContact O-N 3.41Å; L413-A418 HydrophobicContact CB-CB 4.23Å; L413-V419 HydrophobicContact CB-CG2 3.84Å; L413-V419 HydrophobicContact CD1-CB 4.43Å; L413-V419 HydrophobicContact CD1-CG2 4.09Å; L413-H422 HydrophobicContact CD1-CB 3.39Å
414	P	67.6	Low	67.1	Low	95 Å²	95	79.4 Å²	79.4	62%	0.617	42%	0.421	S	S	*	.	S	Bend	trans	-68.3	-32.4	-170	26	-34.5	0	0	0	113
415	D	75.1	Confident	67.1	Low	104 Å²	104	81 Å²	81	56%	0.556	43%	0.433	S	S	*	.	S	Bend	trans	-136.4	150.3	-170.8	-60.6	-66	0	0	0	112.2	L413 E417 A418 V419	L413-D415 VanDerWaalsContact C-N 3.33Å; L413-D415 PolarHBondContact O-N 3.41Å; D415-E417 PolarHBondContact O-N 3.19Å; D415-A418 HydrophobicContact CB-CB 4.47Å; D415-A418 WeakPolarHBondContact O-CA 3.33Å; D415-A418 WeakPolarHBondContact O-CB 3.36Å; D415-A418 PolarHBondContact O-N 3.39Å; D415-V419 PolarHBondContact O-N 3.27Å
416	N	73.9	Confident	66.8	Low	107 Å²	107	76.5 Å²	76.5	57%	0.572	41%	0.411	S	S	*	.	H	α-helix	trans	-52.9	-37.5	173.8	-114.4	-88.8	0	0	0	112.7	E404 V419 E420	E404-N416 PolarHBondContact OE1-ND2 2.94Å; E404-N416 VanDerWaalsContact OE2-CG 3.3Å; E404-N416 PolarHBondContact OE2-ND2 3.25Å; E404-N416 PolarHBondContact OE2-OD1 3.12Å; N416-V419 WeakPolarHBondContact O-CB 3.23Å; N416-V419 PolarHBondContact O-N 3.44Å; N416-E420 PolarHBondContact O-N 3.04Å
417	E	75.8	Confident	66	Low	142 Å²	142	81.1 Å²	81.1	66%	0.664	44%	0.444	S	S	*	.	H	α-helix	trans	-69.5	-35.5	178.1	-169.9	172.5	176.8	0	0	112	D415 E420 Q421	D415-E417 PolarHBondContact O-N 3.19Å; E417-E420 PolarHBondContact O-N 3.19Å; E417-Q421 WeakPolarHBondContact O-CB 3.45Å; E417-Q421 VanDerWaalsContact O-CG 3.3Å; E417-Q421 WeakPolarHBondContact O-CG 3.39Å; E417-Q421 PolarHBondContact O-N 3.41Å
418	A	70.3	Confident	65.1	Low	26 Å²	26	79.4 Å²	79.4	22%	0.215	44%	0.444	C	S	.	.	H	α-helix	trans	-66.6	-38.4	171.2	0	0	0	0	0	111.1	L413 D415 H422	L413-A418 HydrophobicContact CB-CB 4.23Å; D415-A418 HydrophobicContact CB-CB 4.47Å; D415-A418 WeakPolarHBondContact O-CA 3.33Å; D415-A418 WeakPolarHBondContact O-CB 3.36Å; D415-A418 PolarHBondContact O-N 3.39Å; A418-H422 WeakPolarHBondContact O-CB 3.26Å; A418-H422 PolarHBondContact O-N 3.34Å
419	V	68.7	Low	64.7	Low	12 Å²	12	82 Å²	82	7%	0.073	45%	0.454	C	S	.	.	H	α-helix	trans	-60	-44.3	171.4	178.2	0	0	0	0	111.2	E404 L413 D415 N416 H422 R423	E404-V419 HydrophobicContact CB-CG2 3.74Å; L413-V419 HydrophobicContact CB-CG2 3.84Å; L413-V419 HydrophobicContact CD1-CB 4.43Å; L413-V419 HydrophobicContact CD1-CG2 4.09Å; D415-V419 PolarHBondContact O-N 3.27Å; N416-V419 WeakPolarHBondContact O-CB 3.23Å; N416-V419 PolarHBondContact O-N 3.44Å; V419-H422 CarbonylContact O-C 3.37Å; V419-H422 PolarHBondContact O-N 3.26Å; V419-R423 HydrophobicContact CG1-CG 4.42Å; V419-R423 WeakPolarHBondContact O-CB 3.08Å; V419-R423 VanDerWaalsContact O-CG 3.32Å; V419-R423 WeakPolarHBondContact O-CG 3.38Å; V419-R423 PolarHBondContact O-N 2.94Å
420	E	66.1	Low	64.3	Low	88 Å²	88	88.1 Å²	88.1	41%	0.411	47%	0.474	S	S	.	.	H	α-helix	trans	-73	-36.9	-178.4	-166.5	56.7	-150.5	0	0	112.4	N416 E417 H422 R423 K424	N416-E420 PolarHBondContact O-N 3.04Å; E417-E420 PolarHBondContact O-N 3.19Å; E420-H422 VanDerWaalsContact C-N 3.31Å; E420-R423 PolarHBondContact O-N 2.97Å; E420-R423 WeakPolarHBondContact OE2-CD 3.4Å; E420-R423 IonicContact OE2-CZ 3.24Å; E420-R423 IonicContact OE2-NE 2.7Å; E420-R423 IonicContact OE2-NH1 2.91Å; E420-K424 WeakPolarHBondContact O-CG 3.39Å; E420-K424 PolarHBondContact O-N 3.4Å; E420-K424 VanDerWaalsContact O-N 3.07Å
421	Q	66.1	Low	64	Low	113 Å²	113	87.4 Å²	87.4	53%	0.528	46%	0.461	S	S	.	.	H	α-helix	trans	-62.2	-39.9	168.7	-71.1	179.3	20.8	0	0	111.6	E417 K424 L425	E417-Q421 WeakPolarHBondContact O-CB 3.45Å; E417-Q421 VanDerWaalsContact O-CG 3.3Å; E417-Q421 WeakPolarHBondContact O-CG 3.39Å; E417-Q421 PolarHBondContact O-N 3.41Å; Q421-K424 WeakPolarHBondContact O-CB 3.16Å; Q421-K424 PolarHBondContact O-N 3.46Å; Q421-L425 PolarHBondContact O-N 3.14Å
422	H	67.3	Low	63.3	Low	33 Å²	33	89 Å²	89	15%	0.153	46%	0.461	C	S	.	.	H	α-helix	trans	-69.9	-34.7	175.8	-173.6	102.4	0	0	0	112.2	C406 C409 L413 A418 V419 E420 K424 L425 H426	C406-H422 PolarHBondContact SG-CD2 2.81Å; C409-H422 PolarHBondContact SG-NE2 3.04Å; L413-H422 HydrophobicContact CD1-CB 3.39Å; A418-H422 WeakPolarHBondContact O-CB 3.26Å; A418-H422 PolarHBondContact O-N 3.34Å; V419-H422 CarbonylContact O-C 3.37Å; V419-H422 PolarHBondContact O-N 3.26Å; E420-H422 VanDerWaalsContact C-N 3.31Å; H422-K424 VanDerWaalsContact C-N 3.26Å; H422-K424 PolarHBondContact O-N 3.13Å; H422-L425 VanDerWaalsContact O-CB 3.27Å; H422-L425 WeakPolarHBondContact O-CB 3.48Å; H422-L425 PolarHBondContact O-N 3.24Å; H422-L425 VanDerWaalsContact O-N 3.07Å; H422-H426 AromaticContact CD2-CD2 3.57Å; H422-H426 AromaticContact CD2-NE2 3.25Å; H422-H426 PolarHBondContact CD2-NE2 3.48Å; H422-H426 AromaticContact NE2-CD2 3.77Å; H422-H426 AromaticContact NE2-CE1 3.94Å; H422-H426 AromaticContact NE2-NE2 2.94Å; H422-H426 PolarHBondContact NE2-NE2 3.13Å; H422-H426 PolarHBondContact O-CD2 2.74Å; H422-H426 VanDerWaalsContact O-CD2 3.25Å; H422-H426 PolarHBondContact O-N 3.32Å
423	R	67	Low	63.1	Low	129 Å²	129	84.5 Å²	84.5	49%	0.487	45%	0.451	S	S	.	.	H	α-helix	trans	-63.7	-30	170.5	-76.3	177.4	71.9	175	3.6	112.4	V419 E420 L425 H426 S427	V419-R423 HydrophobicContact CG1-CG 4.42Å; V419-R423 WeakPolarHBondContact O-CB 3.08Å; V419-R423 VanDerWaalsContact O-CG 3.32Å; V419-R423 WeakPolarHBondContact O-CG 3.38Å; V419-R423 PolarHBondContact O-N 2.94Å; E420-R423 PolarHBondContact O-N 2.97Å; E420-R423 WeakPolarHBondContact OE2-CD 3.4Å; E420-R423 IonicContact OE2-CZ 3.24Å; E420-R423 IonicContact OE2-NE 2.7Å; E420-R423 IonicContact OE2-NH1 2.91Å; R423-L425 VanDerWaalsContact C-N 3.3Å; R423-L425 PolarHBondContact O-N 2.96Å; R423-H426 CarbonylContact O-C 3.44Å; R423-H426 WeakPolarHBondContact O-CB 3.12Å; R423-H426 PolarHBondContact O-N 2.78Å; R423-H426 VanDerWaalsContact O-N 3.12Å; R423-S427 PolarHBondContact O-N 3.18Å
424	K	62.9	Low	63.1	Low	130 Å²	130	83.4 Å²	83.4	57%	0.565	45%	0.446	S	S	*	.	H	α-helix	trans	-66.1	-30.4	171.3	-67.9	165.4	-172.2	170.7	0	112.2	E420 Q421 H422 H426 S427	E420-K424 WeakPolarHBondContact O-CG 3.39Å; E420-K424 PolarHBondContact O-N 3.4Å; E420-K424 VanDerWaalsContact O-N 3.07Å; Q421-K424 WeakPolarHBondContact O-CB 3.16Å; Q421-K424 PolarHBondContact O-N 3.46Å; H422-K424 VanDerWaalsContact C-N 3.26Å; H422-K424 PolarHBondContact O-N 3.13Å; K424-H426 VanDerWaalsContact C-N 3.31Å; K424-H426 PolarHBondContact O-N 3.26Å; K424-S427 WeakPolarHBondContact CA-OG 3.5Å; K424-S427 PolarHBondContact O-N 3.43Å; K424-S427 PolarHBondContact O-OG 3.29Å
425	L	56	Low	63.2	Low	122 Å²	122	88.2 Å²	88.2	64%	0.639	46%	0.46	S	S	*	.	H	α-helix	trans	-63.3	-38.3	169.7	-55.8	173.7	0	0	0	111.4	Q421 H422 R423	Q421-L425 PolarHBondContact O-N 3.14Å; H422-L425 VanDerWaalsContact O-CB 3.27Å; H422-L425 WeakPolarHBondContact O-CB 3.48Å; H422-L425 PolarHBondContact O-N 3.24Å; H422-L425 VanDerWaalsContact O-N 3.07Å; R423-L425 VanDerWaalsContact C-N 3.3Å; R423-L425 PolarHBondContact O-N 2.96Å
426	H	56.1	Low	63	Low	23 Å²	23	88.9 Å²	88.9	11%	0.106	46%	0.463	C	S	.	.	H	α-helix	trans	-73.7	-22.8	174	-63.8	-65.3	0	0	0	113.9	C406 V408 H422 R423 K424 G428 M429	C406-H426 VanDerWaalsContact SG-CD2 3.57Å; V408-H426 HydrophobicContact CG1-CB 4.4Å; V408-H426 VanDerWaalsContact CG1-ND1 3.33Å; V408-H426 WeakPolarHBondContact CG1-ND1 3.34Å; V408-H426 HydrophobicContact CG2-CB 4.31Å; H422-H426 AromaticContact CD2-CD2 3.57Å; H422-H426 AromaticContact CD2-NE2 3.25Å; H422-H426 PolarHBondContact CD2-NE2 3.48Å; H422-H426 AromaticContact NE2-CD2 3.77Å; H422-H426 AromaticContact NE2-CE1 3.94Å; H422-H426 AromaticContact NE2-NE2 2.94Å; H422-H426 PolarHBondContact NE2-NE2 3.13Å; H422-H426 PolarHBondContact O-CD2 2.74Å; H422-H426 VanDerWaalsContact O-CD2 3.25Å; H422-H426 PolarHBondContact O-N 3.32Å; R423-H426 CarbonylContact O-C 3.44Å; R423-H426 WeakPolarHBondContact O-CB 3.12Å; R423-H426 PolarHBondContact O-N 2.78Å; R423-H426 VanDerWaalsContact O-N 3.12Å; K424-H426 VanDerWaalsContact C-N 3.31Å; K424-H426 PolarHBondContact O-N 3.26Å; H426-G428 PolarHBondContact O-N 3.44Å; H426-G428 VanDerWaalsContact O-N 3.12Å; H426-M429 PolarHBondContact O-N 2.9Å
427	S	52.9	Low	63	Low	100 Å²	100	86.6 Å²	86.6	70%	0.699	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-10.3	-176.3	70.2	0	0	0	0	115.2	R423 K424	R423-S427 PolarHBondContact O-N 3.18Å; K424-S427 WeakPolarHBondContact CA-OG 3.5Å; K424-S427 PolarHBondContact O-N 3.43Å; K424-S427 PolarHBondContact O-OG 3.29Å
428	G	43.5	Very low	62.7	Low	75 Å²	75	82.6 Å²	82.6	77%	0.773	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-3	169.1	0	0	0	0	0	114.8	H426	H426-G428 PolarHBondContact O-N 3.44Å; H426-G428 VanDerWaalsContact O-N 3.12Å
429	M	45.3	Very low	62.5	Low	95 Å²	95	87.3 Å²	87.3	47%	0.468	47%	0.467	S	S	.	.	S	Bend	trans	-95.8	127.6	-171.5	-58.5	-173.3	80.2	0	0	111.9	H426 T431 L442	H426-M429 PolarHBondContact O-N 2.9Å; M429-T431 PolarHBondContact O-N 3.45Å; M429-L442 HydrophobicContact CE-CD2 3.76Å; M429-L442 HydrophobicContact SD-CD2 4.31Å
430	K	51.9	Low	62.2	Low	182 Å²	182	95 Å²	95	79%	0.791	50%	0.495	S	S	*	.			trans	-65.3	100.7	172.8	-76.7	-176.2	178.3	177.3	0	110.2
431	T	59.7	Low	62.1	Low	32 Å²	32	92.6 Å²	92.6	20%	0.196	48%	0.483	C	S	.	.			trans	-89.1	139.9	172.1	65.3	0	0	0	0	111.6	M429 R440 F441	M429-T431 PolarHBondContact O-N 3.45Å; T431-R440 VanDerWaalsContact OG1-CZ 3.26Å; T431-R440 PolarHBondContact OG1-NE 3.23Å; T431-R440 PolarHBondContact OG1-NH2 2.92Å; T431-F441 CarbonylContact C-O 3.55Å; T431-F441 WeakPolarHBondContact CA-O 3.5Å
432	Y	58.8	Low	61.5	Low	98 Å²	98	89.9 Å²	89.9	38%	0.384	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	115.8	174.1	-65.5	-96.6	0	0	0	109.6	R440 F441 S444	Y432-R440 WeakPolarHBondContact O-CA 3.18Å; Y432-F441 PolarHBondContact N-O 3.29Å; Y432-F441 WeakPolarHBondContact O-CD2 3.33Å; Y432-F441 PolarHBondContact O-N 3.19Å; Y432-S444 VanDerWaalsContact CD2-N 3.26Å; Y432-S444 VanDerWaalsContact CE2-N 3.33Å
433	G	65.3	Low	60.8	Low	42 Å²	42	90.4 Å²	90.4	43%	0.433	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	143.1	179.3	0	0	0	0	0	112.6	K439 L447	G433-K439 CarbonylContact C-O 3.59Å; G433-L447 WeakPolarHBondContact O-CD2 3.34Å
434	C	74.7	Confident	60.4	Low	4 Å²	4	86.1 Å²	86.1	3%	0.027	47%	0.465	C	S	.	.			trans	-89.3	118.1	165.5	-176.8	0	0	0	0	110.6	L436 C437 G438 K439 F441 L447 H450	C434-L436 PolarHBondContact O-N 3Å; C434-L436 PolarHBondContact SG-N 3.14Å; C434-C437 PolarHBondContact O-N 3.46Å; C434-G438 WeakPolarHBondContact O-CA 3.34Å; C434-G438 PolarHBondContact O-N 3.3Å; C434-K439 PolarHBondContact N-O 3.18Å; C434-F441 HydrophobicContact CB-CE2 4.17Å; C434-L447 HydrophobicContact CB-CD1 3.71Å; C434-H450 VanDerWaalsContact CB-CD2 3.47Å; C434-H450 WeakPolarHBondContact CB-CD2 3.46Å; C434-H450 VanDerWaalsContact CB-NE2 3.34Å; C434-H450 WeakPolarHBondContact CB-NE2 3.5Å; C434-H450 VanDerWaalsContact SG-CD2 3.57Å; C434-H450 PolarHBondContact SG-NE2 2.92Å
435	E	69.7	Low	60.2	Low	196 Å²	196	81.4 Å²	81.4	92%	0.916	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.3	178	-61.2	179.6	176	0	0	113.1
436	L	70.5	Confident	60.4	Low	117 Å²	117	80.7 Å²	80.7	61%	0.613	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-16.2	-176.5	-58.2	175.6	0	0	0	114.4	C434 L451 H454	C434-L436 PolarHBondContact O-N 3Å; C434-L436 PolarHBondContact SG-N 3.14Å; L436-L451 HydrophobicContact CD1-CD2 4.38Å; L436-H454 VanDerWaalsContact CB-CE1 3.44Å; L436-H454 WeakPolarHBondContact CB-CE1 3.28Å; L436-H454 HydrophobicContact CD1-CB 3.55Å
437	C	73.8	Confident	61	Low	59 Å²	59	80.8 Å²	80.8	40%	0.399	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.6	5.1	177.4	72.3	0	0	0	0	116.1	C434 K439 H450 H454	C434-C437 PolarHBondContact O-N 3.46Å; C437-K439 PolarHBondContact O-N 3.13Å; C437-K439 VanDerWaalsContact O-N 3.14Å; C437-K439 VanDerWaalsContact SG-CG 3.56Å; C437-H450 PolarHBondContact SG-CE1 3.05Å; C437-H450 PolarHBondContact SG-NE2 3.43Å; C437-H454 PolarHBondContact SG-NE2 3.28Å; C437-H454 VanDerWaalsContact SG-NE2 3.44Å
438	G	70.3	Confident	61.5	Low	58 Å²	58	82.8 Å²	82.8	60%	0.598	43%	0.428	S	S	*	.			trans	73.1	-3.1	177.8	0	0	0	0	0	116	C434 R440	C434-G438 WeakPolarHBondContact O-CA 3.34Å; C434-G438 PolarHBondContact O-N 3.3Å; G438-R440 PolarHBondContact O-N 3.16Å
439	K	67	Low	62.4	Low	126 Å²	126	80.8 Å²	80.8	55%	0.548	40%	0.399	S	S	.	.			trans	-62.2	133.6	177	-70.8	-179.3	-176.7	-175.5	0	110.8	G433 C434 C437 F441	G433-K439 CarbonylContact C-O 3.59Å; C434-K439 PolarHBondContact N-O 3.18Å; C437-K439 PolarHBondContact O-N 3.13Å; C437-K439 VanDerWaalsContact O-N 3.14Å; C437-K439 VanDerWaalsContact SG-CG 3.56Å; K439-F441 HydrophobicContact CB-CE2 3.64Å; K439-F441 HydrophobicContact CB-CZ 3.62Å; K439-F441 HydrophobicContact CD-CZ 4.32Å; K439-F441 WeakPolarHBondContact O-CE2 3.47Å
440	R	61	Low	63.5	Low	173 Å²	173	77.5 Å²	77.5	65%	0.653	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	133.4	178.7	-65.7	176.4	71.4	164.6	0.2	109.5	T431 Y432 G438	T431-R440 VanDerWaalsContact OG1-CZ 3.26Å; T431-R440 PolarHBondContact OG1-NE 3.23Å; T431-R440 PolarHBondContact OG1-NH2 2.92Å; Y432-R440 WeakPolarHBondContact O-CA 3.18Å; G438-R440 PolarHBondContact O-N 3.16Å
441	F	64.2	Low	64.3	Low	38 Å²	38	72 Å²	72	17%	0.167	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	147.7	-176.4	-59.7	-84	0	0	0	110.3	T431 Y432 C434 K439 D443 R446 L447 H450	T431-F441 CarbonylContact C-O 3.55Å; T431-F441 WeakPolarHBondContact CA-O 3.5Å; Y432-F441 PolarHBondContact N-O 3.29Å; Y432-F441 WeakPolarHBondContact O-CD2 3.33Å; Y432-F441 PolarHBondContact O-N 3.19Å; C434-F441 HydrophobicContact CB-CE2 4.17Å; K439-F441 HydrophobicContact CB-CE2 3.64Å; K439-F441 HydrophobicContact CB-CZ 3.62Å; K439-F441 HydrophobicContact CD-CZ 4.32Å; K439-F441 WeakPolarHBondContact O-CE2 3.47Å; F441-D443 PolarHBondContact O-N 3.28Å; F441-R446 HydrophobicContact CB-CB 3.94Å; F441-R446 HydrophobicContact CD1-CB 3.87Å; F441-R446 HydrophobicContact CG-CB 4.18Å; F441-L447 HydrophobicContact CB-CB 4.41Å; F441-L447 HydrophobicContact CD2-CB 4.03Å; F441-L447 HydrophobicContact CD2-CD1 3.91Å; F441-L447 HydrophobicContact CE2-CD1 4.09Å; F441-L447 HydrophobicContact CG-CB 4.4Å; F441-H450 HydrophobicContact CE1-CB 3.85Å; F441-H450 HydrophobicContact CE2-CB 3.92Å; F441-H450 AromaticContact CE2-CD2 3.28Å; F441-H450 WeakPolarHBondContact CE2-CD2 3.11Å; F441-H450 AromaticContact CE2-CG 3.63Å; F441-H450 HydrophobicContact CZ-CB 3.42Å; F441-H450 VanDerWaalsContact CZ-CB 3.42Å; F441-H450 AromaticContact CZ-CD2 3.34Å; F441-H450 WeakPolarHBondContact CZ-CD2 3.38Å; F441-H450 AromaticContact CZ-CG 3.19Å; F441-H450 AromaticContact CZ-ND1 3.83Å
442	L	54.7	Low	64.6	Low	55 Å²	55	74.9 Å²	74.9	29%	0.288	38%	0.375	S	S	.	.	S	Bend	trans	-68.7	-17.5	178.3	-78.2	100.5	0	0	0	114.1	V408 M429	V408-L442 HydrophobicContact CG1-CD1 3.97Å; V408-L442 HydrophobicContact CG1-CG 4.26Å; V408-L442 WeakPolarHBondContact O-CD1 3.37Å; M429-L442 HydrophobicContact CE-CD2 3.76Å; M429-L442 HydrophobicContact SD-CD2 4.31Å
443	D	51.8	Low	64.9	Low	44 Å²	44	71.8 Å²	71.8	24%	0.235	37%	0.37	C	S	.	.	S	Bend	trans	-149	159	-176.4	61	69.7	0	0	0	113.1	F441 L445 R446 L447	F441-D443 PolarHBondContact O-N 3.28Å; D443-L445 PolarHBondContact O-N 3.13Å; D443-L445 WeakPolarHBondContact OD1-CA 3.49Å; D443-L445 WeakPolarHBondContact OD1-CB 3.36Å; D443-L445 PolarHBondContact OD1-N 3.14Å; D443-L445 VanDerWaalsContact OD1-N 3.11Å; D443-R446 PolarHBondContact O-N 3.06Å; D443-R446 WeakPolarHBondContact OD1-CB 3.35Å; D443-R446 WeakPolarHBondContact OD1-CG 3.37Å; D443-R446 PolarHBondContact OD1-N 3.32Å; D443-R446 WeakPolarHBondContact OD2-CD 3.37Å; D443-R446 IonicContact OD2-CZ 2.73Å; D443-R446 IonicContact OD2-NE 3.84Å; D443-R446 IonicContact OD2-NH1 3.42Å; D443-R446 PolarHBondContact OD2-NH1 2.82Å; D443-L447 PolarHBondContact O-N 2.88Å
444	S	58.4	Low	65.1	Low	39 Å²	39	73.3 Å²	73.3	27%	0.273	37%	0.366	S	S	.	.	H	α-helix	trans	-59.3	-26.3	180	170.9	0	0	0	0	113.3	Y432 R448	Y432-S444 VanDerWaalsContact CD2-N 3.26Å; Y432-S444 VanDerWaalsContact CE2-N 3.33Å; S444-R448 WeakPolarHBondContact O-CB 3.27Å; S444-R448 PolarHBondContact O-N 3.36Å; S444-R448 PolarHBondContact O-NE 3.48Å; S444-R448 PolarHBondContact OG-NE 3.48Å; S444-R448 PolarHBondContact OG-NH2 2.82Å
445	L	58	Low	64.6	Low	31 Å²	31	77.3 Å²	77.3	16%	0.162	39%	0.394	C	S	.	.	H	α-helix	trans	-80.4	-46	-173.9	173	79.6	0	0	0	110.8	D443 L447 R448 M449 L493 L494	D443-L445 PolarHBondContact O-N 3.13Å; D443-L445 WeakPolarHBondContact OD1-CA 3.49Å; D443-L445 WeakPolarHBondContact OD1-CB 3.36Å; D443-L445 PolarHBondContact OD1-N 3.14Å; D443-L445 VanDerWaalsContact OD1-N 3.11Å; L445-L447 VanDerWaalsContact C-N 3.3Å; L445-L447 PolarHBondContact O-N 3.43Å; L445-R448 WeakPolarHBondContact O-CB 3.48Å; L445-R448 PolarHBondContact O-N 2.96Å; L445-R448 VanDerWaalsContact O-N 3.15Å; L445-M449 WeakPolarHBondContact O-CB 3.21Å; L445-M449 PolarHBondContact O-N 3.46Å; L445-L493 WeakPolarHBondContact CD1-O 3.44Å; L445-L493 HydrophobicContact CD2-CB 3.73Å; L445-L493 WeakPolarHBondContact CD2-O 3.42Å; L445-L494 HydrophobicContact CD2-CD2 4.04Å; L445-L494 HydrophobicContact CD2-CG 4.36Å
446	R	61.5	Low	64.1	Low	107 Å²	107	68.7 Å²	68.7	40%	0.404	36%	0.356	S	S	.	.	H	α-helix	trans	-60.3	-40.2	171	-73.4	176.5	175.1	131.7	-13.9	110.9	F441 D443 M449 H450	F441-R446 HydrophobicContact CB-CB 3.94Å; F441-R446 HydrophobicContact CD1-CB 3.87Å; F441-R446 HydrophobicContact CG-CB 4.18Å; D443-R446 PolarHBondContact O-N 3.06Å; D443-R446 WeakPolarHBondContact OD1-CB 3.35Å; D443-R446 WeakPolarHBondContact OD1-CG 3.37Å; D443-R446 PolarHBondContact OD1-N 3.32Å; D443-R446 WeakPolarHBondContact OD2-CD 3.37Å; D443-R446 IonicContact OD2-CZ 2.73Å; D443-R446 IonicContact OD2-NE 3.84Å; D443-R446 IonicContact OD2-NH1 3.42Å; D443-R446 PolarHBondContact OD2-NH1 2.82Å; R446-M449 PolarHBondContact O-N 3.35Å; R446-H450 VanDerWaalsContact O-CB 3.27Å; R446-H450 WeakPolarHBondContact O-CB 3.21Å; R446-H450 PolarHBondContact O-N 3.49Å
447	L	68.2	Low	63.5	Low	25 Å²	25	65.9 Å²	65.9	13%	0.131	36%	0.355	C	S	.	.	H	α-helix	trans	-59.5	-50	170.1	174.9	61.6	0	0	0	111.3	G433 C434 F441 D443 L445 M449 H450 L451	G433-L447 WeakPolarHBondContact O-CD2 3.34Å; C434-L447 HydrophobicContact CB-CD1 3.71Å; F441-L447 HydrophobicContact CB-CB 4.41Å; F441-L447 HydrophobicContact CD2-CB 4.03Å; F441-L447 HydrophobicContact CD2-CD1 3.91Å; F441-L447 HydrophobicContact CE2-CD1 4.09Å; F441-L447 HydrophobicContact CG-CB 4.4Å; D443-L447 PolarHBondContact O-N 2.88Å; L445-L447 VanDerWaalsContact C-N 3.3Å; L445-L447 PolarHBondContact O-N 3.43Å; L447-M449 PolarHBondContact O-N 2.9Å; L447-H450 CarbonylContact O-C 3.58Å; L447-H450 WeakPolarHBondContact O-CB 3.41Å; L447-H450 PolarHBondContact O-N 3.46Å; L447-L451 HydrophobicContact CD1-CD1 4.13Å; L447-L451 HydrophobicContact CD1-CD2 4.45Å; L447-L451 HydrophobicContact CD1-CG 4Å; L447-L451 HydrophobicContact CD2-CD1 4.48Å; L447-L451 HydrophobicContact CG-CD1 3.94Å; L447-L451 HydrophobicContact CG-CG 4.28Å; L447-L451 WeakPolarHBondContact O-CG 3.21Å; L447-L451 PolarHBondContact O-N 2.63Å
448	R	62.8	Low	62.7	Low	142 Å²	142	68.7 Å²	68.7	54%	0.536	38%	0.383	S	S	.	.	H	α-helix	trans	-58.7	-43.5	177.3	-88.6	177.2	-79.4	160.2	-12.1	112.9	S444 L445 H450 L451 L452	S444-R448 WeakPolarHBondContact O-CB 3.27Å; S444-R448 PolarHBondContact O-N 3.36Å; S444-R448 PolarHBondContact O-NE 3.48Å; S444-R448 PolarHBondContact OG-NE 3.48Å; S444-R448 PolarHBondContact OG-NH2 2.82Å; L445-R448 WeakPolarHBondContact O-CB 3.48Å; L445-R448 PolarHBondContact O-N 2.96Å; L445-R448 VanDerWaalsContact O-N 3.15Å; R448-H450 VanDerWaalsContact C-N 3.28Å; R448-H450 PolarHBondContact O-N 2.74Å; R448-L451 PolarHBondContact O-N 3.11Å; R448-L452 PolarHBondContact O-N 3.48Å
449	M	62.5	Low	62.2	Low	33 Å²	33	74.7 Å²	74.7	16%	0.163	39%	0.392	C	S	.	.	H	α-helix	trans	-65.9	-32.9	178.1	-169.8	152.1	64.4	0	0	112	L445 R446 L447 L452 Q465 C466 L493	L445-M449 WeakPolarHBondContact O-CB 3.21Å; L445-M449 PolarHBondContact O-N 3.46Å; R446-M449 PolarHBondContact O-N 3.35Å; L447-M449 PolarHBondContact O-N 2.9Å; M449-L452 WeakPolarHBondContact O-CB 3.33Å; M449-Q465 VanDerWaalsContact CE-O 3.22Å; M449-Q465 WeakPolarHBondContact CE-O 3.44Å; M449-C466 VanDerWaalsContact SD-C 3.51Å; M449-L493 HydrophobicContact CE-CD2 4.44Å
450	H	69.2	Low	62	Low	26 Å²	26	70.4 Å²	70.4	12%	0.12	38%	0.381	C	S	.	.	H	α-helix	trans	-73.8	-36.7	171.3	167.4	63	0	0	0	113.4	C434 C437 F441 R446 L447 R448 L452 A453 H454	C434-H450 VanDerWaalsContact CB-CD2 3.47Å; C434-H450 WeakPolarHBondContact CB-CD2 3.46Å; C434-H450 VanDerWaalsContact CB-NE2 3.34Å; C434-H450 WeakPolarHBondContact CB-NE2 3.5Å; C434-H450 VanDerWaalsContact SG-CD2 3.57Å; C434-H450 PolarHBondContact SG-NE2 2.92Å; C437-H450 PolarHBondContact SG-CE1 3.05Å; C437-H450 PolarHBondContact SG-NE2 3.43Å; F441-H450 HydrophobicContact CE1-CB 3.85Å; F441-H450 HydrophobicContact CE2-CB 3.92Å; F441-H450 AromaticContact CE2-CD2 3.28Å; F441-H450 WeakPolarHBondContact CE2-CD2 3.11Å; F441-H450 AromaticContact CE2-CG 3.63Å; F441-H450 HydrophobicContact CZ-CB 3.42Å; F441-H450 VanDerWaalsContact CZ-CB 3.42Å; F441-H450 AromaticContact CZ-CD2 3.34Å; F441-H450 WeakPolarHBondContact CZ-CD2 3.38Å; F441-H450 AromaticContact CZ-CG 3.19Å; F441-H450 AromaticContact CZ-ND1 3.83Å; R446-H450 VanDerWaalsContact O-CB 3.27Å; R446-H450 WeakPolarHBondContact O-CB 3.21Å; R446-H450 PolarHBondContact O-N 3.49Å; L447-H450 CarbonylContact O-C 3.58Å; L447-H450 WeakPolarHBondContact O-CB 3.41Å; L447-H450 PolarHBondContact O-N 3.46Å; R448-H450 VanDerWaalsContact C-N 3.28Å; R448-H450 PolarHBondContact O-N 2.74Å; H450-L452 PolarHBondContact O-N 3.21Å; H450-A453 WeakPolarHBondContact O-CA 3.49Å; H450-A453 VanDerWaalsContact O-CB 3.25Å; H450-A453 WeakPolarHBondContact O-CB 3.38Å; H450-A453 PolarHBondContact O-N 3.22Å; H450-H454 AromaticContact CE1-CD2 3.52Å; H450-H454 AromaticContact CE1-NE2 3.27Å; H450-H454 PolarHBondContact CE1-NE2 2.67Å; H450-H454 VanDerWaalsContact CE1-NE2 3.27Å; H450-H454 AromaticContact NE2-CD2 3.41Å; H450-H454 PolarHBondContact NE2-CD2 3.37Å; H450-H454 AromaticContact NE2-NE2 3.19Å; H450-H454 PolarHBondContact NE2-NE2 2.94Å; H450-H454 VanDerWaalsContact NE2-NE2 3.19Å; H450-H454 PolarHBondContact O-N 3.43Å
451	L	68.3	Low	62.4	Low	67 Å²	67	65.7 Å²	65.7	35%	0.351	37%	0.365	S	S	.	.	H	α-helix	trans	-63.4	-30.9	173.3	-71.4	170.1	0	0	0	111.8	L436 L447 R448 A453 H454 S455	L436-L451 HydrophobicContact CD1-CD2 4.38Å; L447-L451 HydrophobicContact CD1-CD1 4.13Å; L447-L451 HydrophobicContact CD1-CD2 4.45Å; L447-L451 HydrophobicContact CD1-CG 4Å; L447-L451 HydrophobicContact CD2-CD1 4.48Å; L447-L451 HydrophobicContact CG-CD1 3.94Å; L447-L451 HydrophobicContact CG-CG 4.28Å; L447-L451 WeakPolarHBondContact O-CG 3.21Å; L447-L451 PolarHBondContact O-N 2.63Å; R448-L451 PolarHBondContact O-N 3.11Å; L451-A453 PolarHBondContact O-N 3.08Å; L451-H454 WeakPolarHBondContact O-CB 3.25Å; L451-H454 PolarHBondContact O-N 3.37Å; L451-H454 VanDerWaalsContact O-N 3.08Å; L451-S455 PolarHBondContact O-N 3.33Å
452	L	66.9	Low	62.6	Low	92 Å²	92	65.3 Å²	65.3	48%	0.482	37%	0.366	S	S	.	.	H	α-helix	trans	-59.1	-34.1	168.8	-68.6	172.3	0	0	0	112.2	R448 M449 H450 H454 S455 A456	R448-L452 PolarHBondContact O-N 3.48Å; M449-L452 WeakPolarHBondContact O-CB 3.33Å; H450-L452 PolarHBondContact O-N 3.21Å; L452-H454 VanDerWaalsContact C-N 3.33Å; L452-S455 WeakPolarHBondContact CA-OG 3.27Å; L452-S455 PolarHBondContact O-N 3.08Å; L452-S455 PolarHBondContact O-OG 2.74Å; L452-A456 PolarHBondContact O-N 3.28Å; L452-A456 VanDerWaalsContact O-N 3.08Å
453	A	65.1	Low	63.3	Low	34 Å²	34	62.9 Å²	62.9	28%	0.281	35%	0.353	S	S	.	.	H	α-helix	trans	-70.3	-27.1	175.1	0	0	0	0	0	113.4	H450 L451 V462	H450-A453 WeakPolarHBondContact O-CA 3.49Å; H450-A453 VanDerWaalsContact O-CB 3.25Å; H450-A453 WeakPolarHBondContact O-CB 3.38Å; H450-A453 PolarHBondContact O-N 3.22Å; L451-A453 PolarHBondContact O-N 3.08Å; A453-V462 HydrophobicContact CB-CB 3.93Å; A453-V462 HydrophobicContact CB-CG1 3.96Å; A453-V462 HydrophobicContact CB-CG2 3.88Å
454	H	69	Low	63.8	Low	73 Å²	73	65.8 Å²	65.8	34%	0.338	37%	0.369	S	S	.	.	H	α-helix	trans	-75.8	-31.6	170	-79.4	-77	0	0	0	113	L436 C437 H450 L451 L452 A456	L436-H454 VanDerWaalsContact CB-CE1 3.44Å; L436-H454 WeakPolarHBondContact CB-CE1 3.28Å; L436-H454 HydrophobicContact CD1-CB 3.55Å; C437-H454 PolarHBondContact SG-NE2 3.28Å; C437-H454 VanDerWaalsContact SG-NE2 3.44Å; H450-H454 AromaticContact CE1-CD2 3.52Å; H450-H454 AromaticContact CE1-NE2 3.27Å; H450-H454 PolarHBondContact CE1-NE2 2.67Å; H450-H454 VanDerWaalsContact CE1-NE2 3.27Å; H450-H454 AromaticContact NE2-CD2 3.41Å; H450-H454 PolarHBondContact NE2-CD2 3.37Å; H450-H454 AromaticContact NE2-NE2 3.19Å; H450-H454 PolarHBondContact NE2-NE2 2.94Å; H450-H454 VanDerWaalsContact NE2-NE2 3.19Å; H450-H454 PolarHBondContact O-N 3.43Å; L451-H454 WeakPolarHBondContact O-CB 3.25Å; L451-H454 PolarHBondContact O-N 3.37Å; L451-H454 VanDerWaalsContact O-N 3.08Å; L452-H454 VanDerWaalsContact C-N 3.33Å; H454-A456 VanDerWaalsContact C-N 3.27Å
455	S	64	Low	63.8	Low	89 Å²	89	67.9 Å²	67.9	62%	0.622	37%	0.374	S	S	*	.	H	α-helix	trans	-73.2	-20.7	174	74.7	0	0	0	0	113.2	L451 L452 G457	L451-S455 PolarHBondContact O-N 3.33Å; L452-S455 WeakPolarHBondContact CA-OG 3.27Å; L452-S455 PolarHBondContact O-N 3.08Å; L452-S455 PolarHBondContact O-OG 2.74Å; S455-G457 PolarHBondContact O-N 3.03Å
456	A	58.3	Low	63.7	Low	14 Å²	14	67.3 Å²	67.3	12%	0.116	37%	0.373	C	S	.	.	S	Bend	trans	-77.7	115.2	173.2	0	0	0	0	0	109.2	L452 H454 A460 V462 Q469	L452-A456 PolarHBondContact O-N 3.28Å; L452-A456 VanDerWaalsContact O-N 3.08Å; H454-A456 VanDerWaalsContact C-N 3.27Å; A456-A460 HydrophobicContact CB-CB 3.59Å; A456-V462 HydrophobicContact CB-CG2 4.14Å; A456-Q469 HydrophobicContact CB-CG 4.36Å
457	G	57.6	Low	63.8	Low	58 Å²	58	62.8 Å²	62.8	60%	0.598	36%	0.359	S	S	*	.			trans	-56.5	160.4	-178.1	0	0	0	0	0	113.2	S455 K459 A460	S455-G457 PolarHBondContact O-N 3.03Å; G457-K459 PolarHBondContact O-N 3.45Å; G457-A460 PolarHBondContact O-N 3.31Å
458	A	58	Low	63.6	Low	118 Å²	118	63.1 Å²	63.1	98%	0.975	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	17.5	-164.3	0	0	0	0	0	118.9
459	K	59.5	Low	64	Low	184 Å²	184	61.3 Å²	61.3	80%	0.8	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129	10.5	173.9	-61	-176.1	178.9	-179.9	0	113	G457	G457-K459 PolarHBondContact O-N 3.45Å
460	A	64.1	Low	64.6	Low	36 Å²	36	62 Å²	62	30%	0.298	37%	0.365	S	S	.	.			trans	-96.4	117.5	176.8	0	0	0	0	0	111.1	A456 G457 V462 F470	A456-A460 HydrophobicContact CB-CB 3.59Å; G457-A460 PolarHBondContact O-N 3.31Å; A460-V462 HydrophobicContact CB-CG2 4.44Å; A460-F470 CarbonylContact C-O 3.45Å; A460-F470 WeakPolarHBondContact CA-O 3.44Å
461	F	69.3	Low	65	Low	74 Å²	74	65.6 Å²	65.6	33%	0.325	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	113.4	169.6	-63	-91.3	0	0	0	108.2	F470 K472 E473 L476	F461-F470 HydrophobicContact CB-CB 4.31Å; F461-F470 PolarHBondContact N-O 2.89Å; F461-F470 PolarHBondContact O-N 2.8Å; F461-K472 VanDerWaalsContact CD2-C 3.47Å; F461-E473 HydrophobicContact CD1-CB 4Å; F461-E473 HydrophobicContact CD1-CG 4.25Å; F461-E473 HydrophobicContact CE1-CB 3.71Å; F461-E473 HydrophobicContact CE1-CG 4.13Å; F461-E473 HydrophobicContact CE2-CB 4.49Å; F461-E473 HydrophobicContact CZ-CB 3.97Å; F461-L476 HydrophobicContact CB-CB 4.06Å; F461-L476 HydrophobicContact CB-CD2 3.93Å
462	V	66.4	Low	65.5	Low	31 Å²	31	68.9 Å²	68.9	19%	0.188	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	130.9	-174.8	-171.8	0	0	0	0	110.3	A453 A456 A460 D464 A468 Q469	A453-V462 HydrophobicContact CB-CB 3.93Å; A453-V462 HydrophobicContact CB-CG1 3.96Å; A453-V462 HydrophobicContact CB-CG2 3.88Å; A456-V462 HydrophobicContact CB-CG2 4.14Å; A460-V462 HydrophobicContact CB-CG2 4.44Å; V462-D464 PolarHBondContact O-N 2.81Å; V462-A468 WeakPolarHBondContact CA-O 3.47Å; V462-Q469 HydrophobicContact CG1-CG 4.49Å; V462-Q469 HydrophobicContact CG2-CG 4.06Å
463	C	70.2	Confident	66.2	Low	3 Å²	3	69.9 Å²	69.9	2%	0.02	41%	0.408	C	S	.	.			trans	-66.9	122.3	173.7	-179.5	0	0	0	0	110.7	Q465 G467 A468 F470 L476 H479 H483	C463-Q465 PolarHBondContact O-N 3.07Å; C463-Q465 PolarHBondContact SG-N 3.35Å; C463-Q465 VanDerWaalsContact SG-N 3.35Å; C463-G467 VanDerWaalsContact O-CA 3.29Å; C463-G467 WeakPolarHBondContact O-CA 3.47Å; C463-G467 PolarHBondContact O-N 3.2Å; C463-A468 HydrophobicContact CB-CB 4.47Å; C463-A468 PolarHBondContact N-O 3.37Å; C463-F470 HydrophobicContact CB-CE2 4.45Å; C463-L476 HydrophobicContact CB-CD1 3.71Å; C463-H479 WeakPolarHBondContact CB-NE2 3.29Å; C463-H479 PolarHBondContact SG-NE2 3.07Å; C463-H479 VanDerWaalsContact SG-NE2 3.37Å; C463-H483 PolarHBondContact SG-NE2 3.35Å
464	D	62.9	Low	67.1	Low	106 Å²	106	74.2 Å²	74.2	57%	0.567	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-30.2	174	52.9	-45.9	0	0	0	113.6	V462 R480	V462-D464 PolarHBondContact O-N 2.81Å; D464-R480 IonicContact OD1-NE 3.29Å
465	Q	57.4	Low	67.6	Low	83 Å²	83	72.2 Å²	72.2	39%	0.388	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-46.1	-176.6	-54.9	-171.3	24.7	0	0	112.6	M449 C463 F491	M449-Q465 VanDerWaalsContact CE-O 3.22Å; M449-Q465 WeakPolarHBondContact CE-O 3.44Å; C463-Q465 PolarHBondContact O-N 3.07Å; C463-Q465 PolarHBondContact SG-N 3.35Å; C463-Q465 VanDerWaalsContact SG-N 3.35Å; Q465-F491 HydrophobicContact CB-CZ 4.26Å; Q465-F491 VanDerWaalsContact O-CE2 3.25Å; Q465-F491 WeakPolarHBondContact O-CE2 3.4Å; Q465-F491 WeakPolarHBondContact O-CZ 3.33Å
466	C	56.6	Low	68.3	Low	19 Å²	19	68.4 Å²	68.4	13%	0.128	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	3.3	-172.6	79.5	0	0	0	0	116.2	M449 A468 H479 F491	M449-C466 VanDerWaalsContact SD-C 3.51Å; C466-A468 PolarHBondContact O-N 3.31Å; C466-A468 VanDerWaalsContact O-N 3.17Å; C466-A468 VanDerWaalsContact SG-CB 3.55Å; C466-H479 PolarHBondContact SG-CE1 2.76Å; C466-H479 PolarHBondContact SG-NE2 3.25Å; C466-F491 HydrophobicContact CB-CD1 4.08Å; C466-F491 HydrophobicContact CB-CD2 3.89Å; C466-F491 HydrophobicContact CB-CE1 3.93Å; C466-F491 HydrophobicContact CB-CE2 3.72Å; C466-F491 HydrophobicContact CB-CG 4.09Å; C466-F491 HydrophobicContact CB-CZ 3.78Å
467	G	63	Low	69.2	Low	12 Å²	12	71.6 Å²	71.6	12%	0.124	41%	0.407	C	S	.	.			trans	71.1	4.1	178.1	0	0	0	0	0	115.8	C463	C463-G467 VanDerWaalsContact O-CA 3.29Å; C463-G467 WeakPolarHBondContact O-CA 3.47Å; C463-G467 PolarHBondContact O-N 3.2Å
468	A	65	Low	70.2	Confident	32 Å²	32	72.9 Å²	72.9	26%	0.264	40%	0.404	S	S	.	.			trans	-63.9	134.9	177.3	0	0	0	0	0	111.4	V462 C463 C466 F470	V462-A468 WeakPolarHBondContact CA-O 3.47Å; C463-A468 HydrophobicContact CB-CB 4.47Å; C463-A468 PolarHBondContact N-O 3.37Å; C466-A468 PolarHBondContact O-N 3.31Å; C466-A468 VanDerWaalsContact O-N 3.17Å; C466-A468 VanDerWaalsContact SG-CB 3.55Å; A468-F470 HydrophobicContact CB-CE2 3.6Å; A468-F470 HydrophobicContact CB-CZ 3.75Å; A468-F470 WeakPolarHBondContact O-CE2 3.26Å
469	Q	71.1	Confident	70.8	Confident	103 Å²	103	67.9 Å²	67.9	48%	0.481	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	133.4	-175.8	-55.4	-178.5	3.9	0	0	111	A456 V462	A456-Q469 HydrophobicContact CB-CG 4.36Å; V462-Q469 HydrophobicContact CG1-CG 4.49Å; V462-Q469 HydrophobicContact CG2-CG 4.06Å
470	F	75	Confident	71.5	Confident	47 Å²	47	63 Å²	63	21%	0.206	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146.6	-179.1	-60.3	-80.9	0	0	0	110.9	A460 F461 C463 A468 A475 L476 H479	A460-F470 CarbonylContact C-O 3.45Å; A460-F470 WeakPolarHBondContact CA-O 3.44Å; F461-F470 HydrophobicContact CB-CB 4.31Å; F461-F470 PolarHBondContact N-O 2.89Å; F461-F470 PolarHBondContact O-N 2.8Å; C463-F470 HydrophobicContact CB-CE2 4.45Å; A468-F470 HydrophobicContact CB-CE2 3.6Å; A468-F470 HydrophobicContact CB-CZ 3.75Å; A468-F470 WeakPolarHBondContact O-CE2 3.26Å; F470-A475 HydrophobicContact CB-CB 4.14Å; F470-A475 HydrophobicContact CD1-CB 3.9Å; F470-A475 WeakPolarHBondContact CD1-O 3.37Å; F470-A475 HydrophobicContact CG-CB 4.32Å; F470-L476 HydrophobicContact CB-CB 4.35Å; F470-L476 HydrophobicContact CD2-CB 4.05Å; F470-L476 HydrophobicContact CD2-CD1 3.92Å; F470-L476 HydrophobicContact CE2-CD1 4.19Å; F470-L476 HydrophobicContact CG-CB 4.35Å; F470-H479 HydrophobicContact CE1-CB 3.98Å; F470-H479 HydrophobicContact CE2-CB 3.79Å; F470-H479 AromaticContact CE2-CD2 3.57Å; F470-H479 AromaticContact CE2-CG 3.46Å; F470-H479 VanDerWaalsContact CE2-CG 3.46Å; F470-H479 AromaticContact CE2-ND1 3.87Å; F470-H479 HydrophobicContact CZ-CB 3.49Å; F470-H479 VanDerWaalsContact CZ-CB 3.49Å; F470-H479 AromaticContact CZ-CD2 3.83Å; F470-H479 AromaticContact CZ-CE1 3.86Å; F470-H479 AromaticContact CZ-CG 3.25Å; F470-H479 AromaticContact CZ-ND1 3.31Å; F470-H479 VanDerWaalsContact CZ-ND1 3.31Å; F470-H479 WeakPolarHBondContact CZ-ND1 3.25Å
471	S	77	Confident	71.8	Confident	103 Å²	103	66.8 Å²	66.8	72%	0.72	35%	0.348	S	S	*	.	S	Bend	trans	-87.7	-4.2	177.8	54.3	0	0	0	0	114
472	K	79.4	Confident	71.4	Confident	135 Å²	135	65.7 Å²	65.7	59%	0.587	35%	0.348	S	S	*	.	S	Bend	trans	-144.7	147.9	-179.3	-64.4	-173.8	177.9	-174.1	0	110.4	F461 A475 L476	F461-K472 VanDerWaalsContact CD2-C 3.47Å; K472-A475 HydrophobicContact CB-CB 4.26Å; K472-A475 WeakPolarHBondContact O-CB 3.42Å; K472-A475 PolarHBondContact O-N 2.8Å; K472-L476 PolarHBondContact O-N 3.35Å
473	E	80.9	Confident	71.1	Confident	114 Å²	114	65.8 Å²	65.8	53%	0.533	35%	0.346	S	S	.	.	H	α-helix	trans	-66	-41	176.6	-166.8	155.1	-158.8	0	0	112.2	F461 A475 L476 E477	F461-E473 HydrophobicContact CD1-CB 4Å; F461-E473 HydrophobicContact CD1-CG 4.25Å; F461-E473 HydrophobicContact CE1-CB 3.71Å; F461-E473 HydrophobicContact CE1-CG 4.13Å; F461-E473 HydrophobicContact CE2-CB 4.49Å; F461-E473 HydrophobicContact CZ-CB 3.97Å; E473-A475 PolarHBondContact O-N 3.09Å; E473-A475 VanDerWaalsContact O-N 3.14Å; E473-L476 CarbonylContact O-C 3.56Å; E473-L476 WeakPolarHBondContact O-CA 3.46Å; E473-L476 WeakPolarHBondContact O-CB 3.43Å; E473-L476 PolarHBondContact O-N 3.4Å; E473-E477 PolarHBondContact O-N 2.64Å
474	D	84.2	Confident	70.5	Confident	124 Å²	124	71 Å²	71	66%	0.663	38%	0.378	S	S	*	.	H	α-helix	trans	-55	-35.2	173.5	-53.3	-33.5	0	0	0	112.8	E477 T478	D474-E477 PolarHBondContact O-N 2.91Å; D474-T478 WeakPolarHBondContact O-CB 3.18Å; D474-T478 WeakPolarHBondContact O-CG2 3.44Å; D474-T478 PolarHBondContact O-N 2.82Å; D474-T478 PolarHBondContact O-OG1 2.84Å
475	A	80.4	Confident	69.9	Low	32 Å²	32	67.4 Å²	67.4	26%	0.264	37%	0.366	S	S	.	.	H	α-helix	trans	-76.5	-28.6	178.2	0	0	0	0	0	112.1	F470 K472 E473 T478 H479	F470-A475 HydrophobicContact CB-CB 4.14Å; F470-A475 HydrophobicContact CD1-CB 3.9Å; F470-A475 WeakPolarHBondContact CD1-O 3.37Å; F470-A475 HydrophobicContact CG-CB 4.32Å; K472-A475 HydrophobicContact CB-CB 4.26Å; K472-A475 WeakPolarHBondContact O-CB 3.42Å; K472-A475 PolarHBondContact O-N 2.8Å; E473-A475 PolarHBondContact O-N 3.09Å; E473-A475 VanDerWaalsContact O-N 3.14Å; A475-T478 WeakPolarHBondContact CA-OG1 3.46Å; A475-T478 PolarHBondContact O-OG1 3.09Å; A475-H479 WeakPolarHBondContact O-CB 3.22Å; A475-H479 PolarHBondContact O-N 3Å
476	L	78.6	Confident	69.3	Low	8 Å²	8	70.8 Å²	70.8	4%	0.042	39%	0.393	C	S	.	.	H	α-helix	trans	-72.6	-38.5	168.2	173.5	61.4	0	0	0	111.3	F461 C463 F470 K472 E473 H479 R480	F461-L476 HydrophobicContact CB-CB 4.06Å; F461-L476 HydrophobicContact CB-CD2 3.93Å; C463-L476 HydrophobicContact CB-CD1 3.71Å; F470-L476 HydrophobicContact CB-CB 4.35Å; F470-L476 HydrophobicContact CD2-CB 4.05Å; F470-L476 HydrophobicContact CD2-CD1 3.92Å; F470-L476 HydrophobicContact CE2-CD1 4.19Å; F470-L476 HydrophobicContact CG-CB 4.35Å; K472-L476 PolarHBondContact O-N 3.35Å; E473-L476 CarbonylContact O-C 3.56Å; E473-L476 WeakPolarHBondContact O-CA 3.46Å; E473-L476 WeakPolarHBondContact O-CB 3.43Å; E473-L476 PolarHBondContact O-N 3.4Å; L476-H479 CarbonylContact O-C 3.25Å; L476-H479 WeakPolarHBondContact O-CA 3.47Å; L476-H479 WeakPolarHBondContact O-CB 3.04Å; L476-H479 PolarHBondContact O-N 3.48Å; L476-R480 HydrophobicContact CD1-CG 4.34Å; L476-R480 WeakPolarHBondContact O-CG 3.47Å; L476-R480 PolarHBondContact O-N 3.43Å
477	E	77.4	Confident	68.6	Low	82 Å²	82	76 Å²	76	38%	0.383	42%	0.419	S	S	.	.	H	α-helix	trans	-74.6	-42	-176.3	-162.7	54.6	-137	0	0	112.1	E473 D474 H479 R480 Q481	E473-E477 PolarHBondContact O-N 2.64Å; D474-E477 PolarHBondContact O-N 2.91Å; E477-H479 PolarHBondContact O-N 3.36Å; E477-R480 WeakPolarHBondContact O-CB 3.42Å; E477-R480 PolarHBondContact O-N 3.37Å; E477-R480 VanDerWaalsContact O-N 3.1Å; E477-R480 WeakPolarHBondContact OE2-CD 3.3Å; E477-R480 IonicContact OE2-CZ 3.87Å; E477-R480 IonicContact OE2-NE 3.17Å; E477-R480 IonicContact OE2-NH1 3.91Å; E477-R480 PolarHBondContact OE2-NH1 3.42Å; E477-Q481 WeakPolarHBondContact O-CG 3.07Å; E477-Q481 PolarHBondContact O-N 3.36Å; E477-Q481 VanDerWaalsContact O-N 3.11Å
478	T	77	Confident	67.5	Low	85 Å²	85	80.3 Å²	80.3	52%	0.521	44%	0.437	S	S	.	.	H	α-helix	trans	-61	-32.9	167.1	49.1	0	0	0	0	112	D474 A475	D474-T478 WeakPolarHBondContact O-CB 3.18Å; D474-T478 WeakPolarHBondContact O-CG2 3.44Å; D474-T478 PolarHBondContact O-N 2.82Å; D474-T478 PolarHBondContact O-OG1 2.84Å; A475-T478 WeakPolarHBondContact CA-OG1 3.46Å; A475-T478 PolarHBondContact O-OG1 3.09Å
479	H	72.1	Confident	66.5	Low	13 Å²	13	79.9 Å²	79.9	6%	0.06	43%	0.434	C	S	.	.	H	α-helix	trans	-70.7	-36.9	171	171.2	85.9	0	0	0	113.2	C463 C466 F470 A475 L476 E477 Q481 T482 H483 R498	C463-H479 WeakPolarHBondContact CB-NE2 3.29Å; C463-H479 PolarHBondContact SG-NE2 3.07Å; C463-H479 VanDerWaalsContact SG-NE2 3.37Å; C466-H479 PolarHBondContact SG-CE1 2.76Å; C466-H479 PolarHBondContact SG-NE2 3.25Å; F470-H479 HydrophobicContact CE1-CB 3.98Å; F470-H479 HydrophobicContact CE2-CB 3.79Å; F470-H479 AromaticContact CE2-CD2 3.57Å; F470-H479 AromaticContact CE2-CG 3.46Å; F470-H479 VanDerWaalsContact CE2-CG 3.46Å; F470-H479 AromaticContact CE2-ND1 3.87Å; F470-H479 HydrophobicContact CZ-CB 3.49Å; F470-H479 VanDerWaalsContact CZ-CB 3.49Å; F470-H479 AromaticContact CZ-CD2 3.83Å; F470-H479 AromaticContact CZ-CE1 3.86Å; F470-H479 AromaticContact CZ-CG 3.25Å; F470-H479 AromaticContact CZ-ND1 3.31Å; F470-H479 VanDerWaalsContact CZ-ND1 3.31Å; F470-H479 WeakPolarHBondContact CZ-ND1 3.25Å; A475-H479 WeakPolarHBondContact O-CB 3.22Å; A475-H479 PolarHBondContact O-N 3Å; L476-H479 CarbonylContact O-C 3.25Å; L476-H479 WeakPolarHBondContact O-CA 3.47Å; L476-H479 WeakPolarHBondContact O-CB 3.04Å; L476-H479 PolarHBondContact O-N 3.48Å; E477-H479 PolarHBondContact O-N 3.36Å; H479-Q481 PolarHBondContact O-N 2.9Å; H479-T482 WeakPolarHBondContact O-CA 3.47Å; H479-T482 VanDerWaalsContact O-CB 3.31Å; H479-T482 WeakPolarHBondContact O-CB 3.24Å; H479-T482 PolarHBondContact O-N 2.83Å; H479-T482 PolarHBondContact O-OG1 3.42Å; H479-H483 AromaticContact CD2-NE2 3.6Å; H479-H483 AromaticContact CE1-NE2 3.77Å; H479-H483 AromaticContact NE2-CE1 3.73Å; H479-H483 AromaticContact NE2-NE2 3.02Å; H479-H483 PolarHBondContact NE2-NE2 3.32Å; H479-R498 PolarHBondContact CE1-NH1 3.39Å; H479-R498 VanDerWaalsContact CE1-NH1 3.31Å
480	R	74.6	Confident	65.7	Low	80 Å²	80	76.2 Å²	76.2	30%	0.302	42%	0.418	S	S	.	.	H	α-helix	trans	-61.8	-34.1	175.4	-82.2	167.5	164.8	166.9	-2.2	112.1	D464 L476 E477 T482 H483 T484	D464-R480 IonicContact OD1-NE 3.29Å; L476-R480 HydrophobicContact CD1-CG 4.34Å; L476-R480 WeakPolarHBondContact O-CG 3.47Å; L476-R480 PolarHBondContact O-N 3.43Å; E477-R480 WeakPolarHBondContact O-CB 3.42Å; E477-R480 PolarHBondContact O-N 3.37Å; E477-R480 VanDerWaalsContact O-N 3.1Å; E477-R480 WeakPolarHBondContact OE2-CD 3.3Å; E477-R480 IonicContact OE2-CZ 3.87Å; E477-R480 IonicContact OE2-NE 3.17Å; E477-R480 IonicContact OE2-NH1 3.91Å; E477-R480 PolarHBondContact OE2-NH1 3.42Å; R480-T482 PolarHBondContact O-N 3.35Å; R480-H483 WeakPolarHBondContact O-CB 3.33Å; R480-H483 PolarHBondContact O-N 3.46Å; R480-T484 PolarHBondContact O-N 3.3Å
481	Q	69.8	Low	64.7	Low	116 Å²	116	75.5 Å²	75.5	54%	0.542	42%	0.415	S	S	.	.	H	α-helix	trans	-61.8	-21.9	171.6	-66	169.8	19.9	0	0	112.9	E477 H479 H483 T484 G485	E477-Q481 WeakPolarHBondContact O-CG 3.07Å; E477-Q481 PolarHBondContact O-N 3.36Å; E477-Q481 VanDerWaalsContact O-N 3.11Å; H479-Q481 PolarHBondContact O-N 2.9Å; Q481-H483 PolarHBondContact O-N 2.87Å; Q481-T484 WeakPolarHBondContact CA-OG1 3.34Å; Q481-T484 PolarHBondContact O-N 2.86Å; Q481-G485 PolarHBondContact O-N 3Å
482	T	61.5	Low	63.6	Low	51 Å²	51	70.6 Å²	70.6	31%	0.313	38%	0.381	S	S	.	.	H	α-helix	trans	-74.5	-7.4	170.3	74.9	0	0	0	0	114.2	H479 R480 A489 R498	H479-T482 WeakPolarHBondContact O-CA 3.47Å; H479-T482 VanDerWaalsContact O-CB 3.31Å; H479-T482 WeakPolarHBondContact O-CB 3.24Å; H479-T482 PolarHBondContact O-N 2.83Å; H479-T482 PolarHBondContact O-OG1 3.42Å; R480-T482 PolarHBondContact O-N 3.35Å; T482-A489 WeakPolarHBondContact O-CB 3.26Å; T482-R498 PolarHBondContact OG1-NH2 2.9Å
483	H	60	Low	62.3	Low	33 Å²	33	67.9 Å²	67.9	15%	0.153	37%	0.373	C	S	.	.	H	α-helix	trans	-104.7	-24.3	171.3	-53.2	-59.5	0	0	0	113.1	C463 H479 R480 Q481 F491 R498	C463-H483 PolarHBondContact SG-NE2 3.35Å; H479-H483 AromaticContact CD2-NE2 3.6Å; H479-H483 AromaticContact CE1-NE2 3.77Å; H479-H483 AromaticContact NE2-CE1 3.73Å; H479-H483 AromaticContact NE2-NE2 3.02Å; H479-H483 PolarHBondContact NE2-NE2 3.32Å; R480-H483 WeakPolarHBondContact O-CB 3.33Å; R480-H483 PolarHBondContact O-N 3.46Å; Q481-H483 PolarHBondContact O-N 2.87Å; H483-F491 AromaticContact CE1-CE1 3.95Å; H483-F491 AromaticContact ND1-CE1 3.88Å; H483-R498 PolarHBondContact CE1-NH2 2.95Å
484	T	57.1	Low	60.5	Low	113 Å²	113	66.6 Å²	66.6	69%	0.693	37%	0.369	S	S	*	.	H	α-helix	trans	-99.6	-14.8	-178.9	59.5	0	0	0	0	114.3	R480 Q481	R480-T484 PolarHBondContact O-N 3.3Å; Q481-T484 WeakPolarHBondContact CA-OG1 3.34Å; Q481-T484 PolarHBondContact O-N 2.86Å
485	G	49	Very low	58.8	Low	31 Å²	31	63.2 Å²	63.2	32%	0.32	35%	0.354	S	S	.	.	S	Bend	trans	-75.2	157.7	177	0	0	0	0	0	114.1	Q481 D487	Q481-G485 PolarHBondContact O-N 3Å; G485-D487 PolarHBondContact O-N 3.49Å; G485-D487 VanDerWaalsContact O-N 3.11Å
486	T	46.8	Very low	57.4	Low	154 Å²	154	63.8 Å²	63.8	95%	0.945	36%	0.363	S	S	*	.	S	Bend	trans	-64	-8.6	173.2	44.6	0	0	0	0	114.2	M488	T486-M488 VanDerWaalsContact C-N 3.31Å; T486-M488 PolarHBondContact O-N 2.66Å
487	D	41.3	Very low	56.2	Low	128 Å²	128	69.1 Å²	69.1	68%	0.684	39%	0.386	S	S	*	.	S	Bend	trans	-90.5	65.8	169.8	-167.5	25	0	0	0	108.9	G485 A489	G485-D487 PolarHBondContact O-N 3.49Å; G485-D487 VanDerWaalsContact O-N 3.11Å; D487-A489 PolarHBondContact O-N 2.95Å
488	M	38.5	Very low	55.5	Low	102 Å²	102	70.4 Å²	70.4	50%	0.502	39%	0.388	S	S	.	.			trans	-57	102.6	-173	-74.1	-167	-76.4	0	0	110.4	T486 V490	T486-M488 VanDerWaalsContact C-N 3.31Å; T486-M488 PolarHBondContact O-N 2.66Å; M488-V490 HydrophobicContact CB-CG2 3.68Å; M488-V490 WeakPolarHBondContact O-CG2 3.46Å; M488-V490 PolarHBondContact O-N 2.96Å
489	A	44.2	Very low	55	Low	23 Å²	23	68.6 Å²	68.6	19%	0.19	37%	0.372	C	S	.	.			trans	-76.1	61.6	174.7	0	0	0	0	0	110.1	T482 D487 F491 F499	T482-A489 WeakPolarHBondContact O-CB 3.26Å; D487-A489 PolarHBondContact O-N 2.95Å; A489-F491 PolarHBondContact O-N 3.49Å; A489-F499 CarbonylContact C-O 3.55Å
490	V	54.2	Low	54.6	Low	27 Å²	27	76.8 Å²	76.8	16%	0.164	41%	0.411	C	S	.	.			trans	-59.6	111	-172.4	-169.2	0	0	0	0	108.8	M488 F499 Q502 L505	M488-V490 HydrophobicContact CB-CG2 3.68Å; M488-V490 WeakPolarHBondContact O-CG2 3.46Å; M488-V490 PolarHBondContact O-N 2.96Å; V490-F499 PolarHBondContact N-O 3.37Å; V490-F499 WeakPolarHBondContact O-CA 3.44Å; V490-F499 VanDerWaalsContact O-CB 3.28Å; V490-F499 WeakPolarHBondContact O-CB 3.05Å; V490-F499 WeakPolarHBondContact O-CD2 3.37Å; V490-F499 PolarHBondContact O-N 3.39Å; V490-Q502 HydrophobicContact CG2-CB 4.02Å; V490-L505 HydrophobicContact CB-CB 4.02Å; V490-L505 HydrophobicContact CG1-CB 3.36Å; V490-L505 HydrophobicContact CG1-CD2 3.21Å; V490-L505 HydrophobicContact CG1-CG 3.74Å
491	F	53.9	Low	54.3	Low	32 Å²	32	74.8 Å²	74.8	14%	0.14	41%	0.411	C	S	.	.	B	Isolated β-bridge	trans	-109.6	149	-177	65.8	-83.8	0	0	0	111.3	Q465 C466 H483 A489 L493 K497 R498	Q465-F491 HydrophobicContact CB-CZ 4.26Å; Q465-F491 VanDerWaalsContact O-CE2 3.25Å; Q465-F491 WeakPolarHBondContact O-CE2 3.4Å; Q465-F491 WeakPolarHBondContact O-CZ 3.33Å; C466-F491 HydrophobicContact CB-CD1 4.08Å; C466-F491 HydrophobicContact CB-CD2 3.89Å; C466-F491 HydrophobicContact CB-CE1 3.93Å; C466-F491 HydrophobicContact CB-CE2 3.72Å; C466-F491 HydrophobicContact CB-CG 4.09Å; C466-F491 HydrophobicContact CB-CZ 3.78Å; H483-F491 AromaticContact CE1-CE1 3.95Å; H483-F491 AromaticContact ND1-CE1 3.88Å; A489-F491 PolarHBondContact O-N 3.49Å; F491-L493 HydrophobicContact CE2-CD2 3.77Å; F491-L493 HydrophobicContact CE2-CG 4.37Å; F491-L493 HydrophobicContact CZ-CD2 4.25Å; F491-L493 PolarHBondContact O-N 2.87Å; F491-K497 CarbonylContact C-O 3.44Å; F491-K497 WeakPolarHBondContact CA-O 3.31Å; F491-K497 WeakPolarHBondContact CB-O 3.4Å; F491-R498 HydrophobicContact CB-CB 4.26Å; F491-R498 HydrophobicContact CB-CG 3.98Å
492	C	55.7	Low	54.2	Low	0 Å²	0	74.6 Å²	74.6	0%	0	41%	0.41	C	S	.	.			trans	-73.8	118.9	174	-172	0	0	0	0	109.8	L494 G496 K497 F499 L505 H508 M509 H512	C492-L494 VanDerWaalsContact C-N 3.27Å; C492-L494 PolarHBondContact O-N 3.01Å; C492-L494 PolarHBondContact SG-N 3.1Å; C492-G496 VanDerWaalsContact O-CA 3.23Å; C492-G496 WeakPolarHBondContact O-CA 3.26Å; C492-G496 PolarHBondContact O-N 2.81Å; C492-K497 PolarHBondContact N-O 3.28Å; C492-F499 HydrophobicContact CB-CE2 4.26Å; C492-L505 HydrophobicContact CB-CD1 3.83Å; C492-H508 WeakPolarHBondContact CB-CD2 3.38Å; C492-H508 WeakPolarHBondContact CB-NE2 3.33Å; C492-H508 PolarHBondContact SG-NE2 2.88Å; C492-M509 VanDerWaalsContact SG-SD 3.66Å; C492-H512 PolarHBondContact SG-CD2 3.16Å; C492-H512 PolarHBondContact SG-NE2 3.02Å; C492-H512 VanDerWaalsContact SG-NE2 3.42Å
493	L	50.5	Low	54.7	Low	78 Å²	78	76.3 Å²	76.3	41%	0.408	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-45	169.8	-70.5	163.8	0	0	0	110.1	L445 M449 F491 C495	L445-L493 WeakPolarHBondContact CD1-O 3.44Å; L445-L493 HydrophobicContact CD2-CB 3.73Å; L445-L493 WeakPolarHBondContact CD2-O 3.42Å; M449-L493 HydrophobicContact CE-CD2 4.44Å; F491-L493 HydrophobicContact CE2-CD2 3.77Å; F491-L493 HydrophobicContact CE2-CG 4.37Å; F491-L493 HydrophobicContact CZ-CD2 4.25Å; F491-L493 PolarHBondContact O-N 2.87Å; L493-C495 PolarHBondContact O-N 3.16Å
494	L	44.7	Very low	55.2	Low	86 Å²	86	76.2 Å²	76.2	45%	0.45	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-18	-171.4	-66	161.5	0	0	0	115.6	L445 C492 M509 H512	L445-L494 HydrophobicContact CD2-CD2 4.04Å; L445-L494 HydrophobicContact CD2-CG 4.36Å; C492-L494 VanDerWaalsContact C-N 3.27Å; C492-L494 PolarHBondContact O-N 3.01Å; C492-L494 PolarHBondContact SG-N 3.1Å; L494-M509 HydrophobicContact CD1-CE 4.09Å; L494-H512 VanDerWaalsContact CB-CE1 3.47Å; L494-H512 WeakPolarHBondContact CB-CE1 3.5Å; L494-H512 WeakPolarHBondContact CB-ND1 3.42Å; L494-H512 HydrophobicContact CD1-CB 3.56Å
495	C	47.6	Very low	55.7	Low	53 Å²	53	72.2 Å²	72.2	36%	0.358	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.1	7.2	175.6	74.9	0	0	0	0	116.5	L493 K497 H508 H512	L493-C495 PolarHBondContact O-N 3.16Å; C495-K497 PolarHBondContact O-N 2.87Å; C495-K497 VanDerWaalsContact O-N 3.13Å; C495-K497 VanDerWaalsContact SG-CD 3.55Å; C495-K497 VanDerWaalsContact SG-CG 3.53Å; C495-H508 PolarHBondContact SG-CE1 2.81Å; C495-H508 PolarHBondContact SG-NE2 3.32Å; C495-H512 PolarHBondContact SG-NE2 2.73Å; C495-H512 VanDerWaalsContact SG-NE2 3.37Å
496	G	51.9	Low	56.6	Low	44 Å²	44	76.8 Å²	76.8	45%	0.454	42%	0.417	S	S	.	.			trans	70.7	-0.6	177.1	0	0	0	0	0	116.3	C492 R498	C492-G496 VanDerWaalsContact O-CA 3.23Å; C492-G496 WeakPolarHBondContact O-CA 3.26Å; C492-G496 PolarHBondContact O-N 2.81Å; G496-R498 PolarHBondContact O-N 2.9Å
497	K	53	Low	57.5	Low	121 Å²	121	72.9 Å²	72.9	53%	0.526	39%	0.388	S	S	.	.			trans	-66.5	129.4	178.8	-70.5	175.9	-169.1	168.3	0	110.7	F491 C492 C495 F499	F491-K497 CarbonylContact C-O 3.44Å; F491-K497 WeakPolarHBondContact CA-O 3.31Å; F491-K497 WeakPolarHBondContact CB-O 3.4Å; C492-K497 PolarHBondContact N-O 3.28Å; C495-K497 PolarHBondContact O-N 2.87Å; C495-K497 VanDerWaalsContact O-N 3.13Å; C495-K497 VanDerWaalsContact SG-CD 3.55Å; C495-K497 VanDerWaalsContact SG-CG 3.53Å; K497-F499 HydrophobicContact CB-CE2 3.66Å; K497-F499 HydrophobicContact CB-CZ 3.77Å; K497-F499 HydrophobicContact CD-CZ 4.39Å; K497-F499 WeakPolarHBondContact O-CD2 3.28Å; K497-F499 VanDerWaalsContact O-CE2 3.24Å; K497-F499 WeakPolarHBondContact O-CE2 3.47Å
498	R	61.2	Low	58.8	Low	109 Å²	109	67.5 Å²	67.5	41%	0.411	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-94.1	136.5	177.9	-47.4	-171.8	79.5	-174.1	2.3	110.2	H479 T482 H483 F491 G496	H479-R498 PolarHBondContact CE1-NH1 3.39Å; H479-R498 VanDerWaalsContact CE1-NH1 3.31Å; T482-R498 PolarHBondContact OG1-NH2 2.9Å; H483-R498 PolarHBondContact CE1-NH2 2.95Å; F491-R498 HydrophobicContact CB-CB 4.26Å; F491-R498 HydrophobicContact CB-CG 3.98Å; G496-R498 PolarHBondContact O-N 2.9Å
499	F	66.4	Low	59.8	Low	46 Å²	46	65.7 Å²	65.7	20%	0.202	35%	0.349	C	S	.	.			trans	-119.9	149.9	178.1	-58.6	-89.9	0	0	0	110	A489 V490 C492 K497 A501 A504 L505 H508	A489-F499 CarbonylContact C-O 3.55Å; V490-F499 PolarHBondContact N-O 3.37Å; V490-F499 WeakPolarHBondContact O-CA 3.44Å; V490-F499 VanDerWaalsContact O-CB 3.28Å; V490-F499 WeakPolarHBondContact O-CB 3.05Å; V490-F499 WeakPolarHBondContact O-CD2 3.37Å; V490-F499 PolarHBondContact O-N 3.39Å; C492-F499 HydrophobicContact CB-CE2 4.26Å; K497-F499 HydrophobicContact CB-CE2 3.66Å; K497-F499 HydrophobicContact CB-CZ 3.77Å; K497-F499 HydrophobicContact CD-CZ 4.39Å; K497-F499 WeakPolarHBondContact O-CD2 3.28Å; K497-F499 VanDerWaalsContact O-CE2 3.24Å; K497-F499 WeakPolarHBondContact O-CE2 3.47Å; F499-A501 VanDerWaalsContact C-N 3.3Å; F499-A504 HydrophobicContact CB-CB 4.03Å; F499-A504 HydrophobicContact CD1-CB 3.98Å; F499-A504 HydrophobicContact CG-CB 4.34Å; F499-L505 HydrophobicContact CD2-CB 4.25Å; F499-L505 HydrophobicContact CD2-CD1 3.94Å; F499-L505 HydrophobicContact CE2-CD1 4.08Å; F499-H508 HydrophobicContact CE1-CB 3.78Å; F499-H508 HydrophobicContact CE2-CB 3.87Å; F499-H508 AromaticContact CE2-CD2 3.25Å; F499-H508 WeakPolarHBondContact CE2-CD2 3.48Å; F499-H508 AromaticContact CE2-CG 3.58Å; F499-H508 HydrophobicContact CZ-CB 3.39Å; F499-H508 AromaticContact CZ-CD2 3.33Å; F499-H508 WeakPolarHBondContact CZ-CD2 3.22Å; F499-H508 AromaticContact CZ-CG 3.16Å; F499-H508 AromaticContact CZ-ND1 3.87Å
500	Q	63.8	Low	60.8	Low	185 Å²	185	67.5 Å²	67.5	86%	0.864	35%	0.354	S	S	*	.	S	Bend	trans	-84.7	-1.7	179.6	-67.1	178.1	-40.5	0	0	113.3
501	A	68.9	Low	61.1	Low	38 Å²	38	69.8 Å²	69.8	31%	0.314	37%	0.368	S	S	.	.	S	Bend	trans	-153.6	146.8	-178.8	0	0	0	0	0	110.8	F499 S503 A504 L505	F499-A501 VanDerWaalsContact C-N 3.3Å; A501-S503 VanDerWaalsContact C-N 3.3Å; A501-S503 PolarHBondContact O-N 3.44Å; A501-A504 HydrophobicContact CB-CB 4.35Å; A501-A504 WeakPolarHBondContact O-CB 3.23Å; A501-A504 PolarHBondContact O-N 3.48Å; A501-A504 VanDerWaalsContact O-N 3.09Å; A501-L505 PolarHBondContact O-N 3.41Å
502	Q	68.2	Low	61.1	Low	113 Å²	113	71.5 Å²	71.5	53%	0.528	38%	0.376	S	S	.	.	H	α-helix	trans	-61.7	-36	176.7	-175	173.2	-24.3	0	0	112.6	V490 A504 L505 Q506	V490-Q502 HydrophobicContact CG2-CB 4.02Å; Q502-A504 VanDerWaalsContact C-N 3.29Å; Q502-A504 PolarHBondContact O-N 3.16Å; Q502-L505 PolarHBondContact O-N 3.27Å; Q502-Q506 WeakPolarHBondContact O-CB 3.23Å; Q502-Q506 PolarHBondContact O-N 3.07Å
503	S	72.2	Confident	60.9	Low	86 Å²	86	74.9 Å²	74.9	60%	0.601	40%	0.404	S	S	*	.	H	α-helix	trans	-61	-37.4	173.7	52.5	0	0	0	0	112.5	A501 Q506 Q507	A501-S503 VanDerWaalsContact C-N 3.3Å; A501-S503 PolarHBondContact O-N 3.44Å; S503-Q506 PolarHBondContact O-N 3.3Å; S503-Q507 WeakPolarHBondContact O-CB 3.32Å; S503-Q507 PolarHBondContact O-N 3.34Å
504	A	70.6	Confident	60.7	Low	32 Å²	32	73.4 Å²	73.4	26%	0.264	41%	0.407	S	S	.	.	H	α-helix	trans	-73.7	-31.7	175.9	0	0	0	0	0	112.4	F499 A501 Q502 H508	F499-A504 HydrophobicContact CB-CB 4.03Å; F499-A504 HydrophobicContact CD1-CB 3.98Å; F499-A504 HydrophobicContact CG-CB 4.34Å; A501-A504 HydrophobicContact CB-CB 4.35Å; A501-A504 WeakPolarHBondContact O-CB 3.23Å; A501-A504 PolarHBondContact O-N 3.48Å; A501-A504 VanDerWaalsContact O-N 3.09Å; Q502-A504 VanDerWaalsContact C-N 3.29Å; Q502-A504 PolarHBondContact O-N 3.16Å; A504-H508 WeakPolarHBondContact O-CB 3.45Å; A504-H508 PolarHBondContact O-N 3.48Å
505	L	66.9	Low	60.7	Low	29 Å²	29	73.6 Å²	73.6	15%	0.152	41%	0.412	C	S	.	.	H	α-helix	trans	-64.3	-50.1	164.8	176.9	67.4	0	0	0	110.3	V490 C492 F499 A501 Q502 Q507 H508 M509	V490-L505 HydrophobicContact CB-CB 4.02Å; V490-L505 HydrophobicContact CG1-CB 3.36Å; V490-L505 HydrophobicContact CG1-CD2 3.21Å; V490-L505 HydrophobicContact CG1-CG 3.74Å; C492-L505 HydrophobicContact CB-CD1 3.83Å; F499-L505 HydrophobicContact CD2-CB 4.25Å; F499-L505 HydrophobicContact CD2-CD1 3.94Å; F499-L505 HydrophobicContact CE2-CD1 4.08Å; A501-L505 PolarHBondContact O-N 3.41Å; Q502-L505 PolarHBondContact O-N 3.27Å; L505-Q507 VanDerWaalsContact C-N 3.34Å; L505-Q507 PolarHBondContact O-N 2.75Å; L505-H508 CarbonylContact O-C 3.55Å; L505-H508 VanDerWaalsContact O-CA 3.29Å; L505-H508 WeakPolarHBondContact O-CA 3.42Å; L505-H508 WeakPolarHBondContact O-CB 3.49Å; L505-H508 PolarHBondContact O-N 2.96Å; L505-M509 HydrophobicContact CD1-CG 3.8Å; L505-M509 HydrophobicContact CD1-SD 3.97Å; L505-M509 HydrophobicContact CD2-CG 4.12Å; L505-M509 HydrophobicContact CG-CG 3.71Å; L505-M509 HydrophobicContact CG-SD 4.4Å; L505-M509 WeakPolarHBondContact O-CG 3.39Å; L505-M509 PolarHBondContact O-N 3.36Å
506	Q	67.3	Low	60.7	Low	127 Å²	127	77.9 Å²	77.9	59%	0.593	42%	0.421	S	S	*	.	H	α-helix	trans	-59.2	-46.4	-172.4	-173.3	167.8	-8.8	0	0	111.5	Q502 S503 H508 M509 E510	Q502-Q506 WeakPolarHBondContact O-CB 3.23Å; Q502-Q506 PolarHBondContact O-N 3.07Å; S503-Q506 PolarHBondContact O-N 3.3Å; Q506-H508 PolarHBondContact O-N 3.34Å; Q506-M509 WeakPolarHBondContact O-CB 3.25Å; Q506-M509 PolarHBondContact O-N 3.13Å; Q506-E510 PolarHBondContact O-N 3.22Å; Q506-E510 VanDerWaalsContact O-N 3.16Å
507	Q	67.3	Low	61.2	Low	71 Å²	71	76.3 Å²	76.3	33%	0.332	40%	0.403	S	S	.	.	H	α-helix	trans	-57.5	-34.1	170	172.4	163.3	83.5	0	0	113.2	S503 L505 E510 P528	S503-Q507 WeakPolarHBondContact O-CB 3.32Å; S503-Q507 PolarHBondContact O-N 3.34Å; L505-Q507 VanDerWaalsContact C-N 3.34Å; L505-Q507 PolarHBondContact O-N 2.75Å; Q507-E510 WeakPolarHBondContact O-CB 3.22Å; Q507-P528 WeakPolarHBondContact CG-O 3.46Å; Q507-P528 PolarHBondContact NE2-O 3.22Å
508	H	67.2	Low	61.7	Low	15 Å²	15	75.3 Å²	75.3	7%	0.069	40%	0.396	C	S	.	.	H	α-helix	trans	-78.2	-28.2	173.9	170.9	57.8	0	0	0	113.4	C492 C495 F499 A504 L505 Q506 E510 V511 H512	C492-H508 WeakPolarHBondContact CB-CD2 3.38Å; C492-H508 WeakPolarHBondContact CB-NE2 3.33Å; C492-H508 PolarHBondContact SG-NE2 2.88Å; C495-H508 PolarHBondContact SG-CE1 2.81Å; C495-H508 PolarHBondContact SG-NE2 3.32Å; F499-H508 HydrophobicContact CE1-CB 3.78Å; F499-H508 HydrophobicContact CE2-CB 3.87Å; F499-H508 AromaticContact CE2-CD2 3.25Å; F499-H508 WeakPolarHBondContact CE2-CD2 3.48Å; F499-H508 AromaticContact CE2-CG 3.58Å; F499-H508 HydrophobicContact CZ-CB 3.39Å; F499-H508 AromaticContact CZ-CD2 3.33Å; F499-H508 WeakPolarHBondContact CZ-CD2 3.22Å; F499-H508 AromaticContact CZ-CG 3.16Å; F499-H508 AromaticContact CZ-ND1 3.87Å; A504-H508 WeakPolarHBondContact O-CB 3.45Å; A504-H508 PolarHBondContact O-N 3.48Å; L505-H508 CarbonylContact O-C 3.55Å; L505-H508 VanDerWaalsContact O-CA 3.29Å; L505-H508 WeakPolarHBondContact O-CA 3.42Å; L505-H508 WeakPolarHBondContact O-CB 3.49Å; L505-H508 PolarHBondContact O-N 2.96Å; Q506-H508 PolarHBondContact O-N 3.34Å; H508-E510 VanDerWaalsContact C-N 3.28Å; H508-E510 PolarHBondContact O-N 2.97Å; H508-V511 VanDerWaalsContact O-CB 3.23Å; H508-V511 WeakPolarHBondContact O-CB 3.23Å; H508-V511 PolarHBondContact O-N 3.44Å; H508-V511 VanDerWaalsContact O-N 3.13Å; H508-H512 AromaticContact CE1-CD2 3.53Å; H508-H512 AromaticContact CE1-NE2 3.43Å; H508-H512 PolarHBondContact CE1-NE2 3.33Å; H508-H512 AromaticContact NE2-CD2 3.38Å; H508-H512 PolarHBondContact NE2-CD2 3.47Å; H508-H512 AromaticContact NE2-NE2 3.33Å; H508-H512 PolarHBondContact NE2-NE2 3.43Å
509	M	60.9	Low	61.9	Low	64 Å²	64	73.1 Å²	73.1	32%	0.315	39%	0.392	S	S	.	.	H	α-helix	trans	-69.8	-25.9	174.8	-67.9	-66.3	-69.4	0	0	111.6	C492 L494 L505 Q506 V511 H512 A513	C492-M509 VanDerWaalsContact SG-SD 3.66Å; L494-M509 HydrophobicContact CD1-CE 4.09Å; L505-M509 HydrophobicContact CD1-CG 3.8Å; L505-M509 HydrophobicContact CD1-SD 3.97Å; L505-M509 HydrophobicContact CD2-CG 4.12Å; L505-M509 HydrophobicContact CG-CG 3.71Å; L505-M509 HydrophobicContact CG-SD 4.4Å; L505-M509 WeakPolarHBondContact O-CG 3.39Å; L505-M509 PolarHBondContact O-N 3.36Å; Q506-M509 WeakPolarHBondContact O-CB 3.25Å; Q506-M509 PolarHBondContact O-N 3.13Å; M509-V511 PolarHBondContact O-N 3.27Å; M509-H512 CarbonylContact O-C 3.47Å; M509-H512 WeakPolarHBondContact O-CA 3.39Å; M509-H512 WeakPolarHBondContact O-CB 3.39Å; M509-H512 PolarHBondContact O-N 3.23Å; M509-A513 WeakPolarHBondContact O-CB 3.45Å; M509-A513 PolarHBondContact O-N 3.42Å
510	E	63.8	Low	62.5	Low	61 Å²	61	71 Å²	71	29%	0.285	38%	0.383	S	S	.	.	H	α-helix	trans	-55.3	-40.1	167.2	-65.5	163.7	-158.4	0	0	111.6	Q506 Q507 H508 H512 A513 G514 V515	Q506-E510 PolarHBondContact O-N 3.22Å; Q506-E510 VanDerWaalsContact O-N 3.16Å; Q507-E510 WeakPolarHBondContact O-CB 3.22Å; H508-E510 VanDerWaalsContact C-N 3.28Å; H508-E510 PolarHBondContact O-N 2.97Å; E510-H512 PolarHBondContact O-N 3.41Å; E510-A513 PolarHBondContact O-N 3.37Å; E510-G514 PolarHBondContact O-N 3.38Å; E510-V515 PolarHBondContact O-N 3.12Å
511	V	61	Low	63	Low	76 Å²	76	67.1 Å²	67.1	46%	0.461	38%	0.377	S	S	.	.	H	α-helix	trans	-62.1	-27.1	175.5	-171.2	0	0	0	0	112	H508 M509 P528	H508-V511 VanDerWaalsContact O-CB 3.23Å; H508-V511 WeakPolarHBondContact O-CB 3.23Å; H508-V511 PolarHBondContact O-N 3.44Å; H508-V511 VanDerWaalsContact O-N 3.13Å; M509-V511 PolarHBondContact O-N 3.27Å; V511-P528 HydrophobicContact CG2-CB 4.04Å
512	H	54.4	Low	63.4	Low	68 Å²	68	70.8 Å²	70.8	32%	0.315	39%	0.387	S	S	.	.	H	α-helix	trans	-93.5	-31	179.8	-83.4	-65.6	0	0	0	114.1	C492 L494 C495 H508 M509 E510 G514	C492-H512 PolarHBondContact SG-CD2 3.16Å; C492-H512 PolarHBondContact SG-NE2 3.02Å; C492-H512 VanDerWaalsContact SG-NE2 3.42Å; L494-H512 VanDerWaalsContact CB-CE1 3.47Å; L494-H512 WeakPolarHBondContact CB-CE1 3.5Å; L494-H512 WeakPolarHBondContact CB-ND1 3.42Å; L494-H512 HydrophobicContact CD1-CB 3.56Å; C495-H512 PolarHBondContact SG-NE2 2.73Å; C495-H512 VanDerWaalsContact SG-NE2 3.37Å; H508-H512 AromaticContact CE1-CD2 3.53Å; H508-H512 AromaticContact CE1-NE2 3.43Å; H508-H512 PolarHBondContact CE1-NE2 3.33Å; H508-H512 AromaticContact NE2-CD2 3.38Å; H508-H512 PolarHBondContact NE2-CD2 3.47Å; H508-H512 AromaticContact NE2-NE2 3.33Å; H508-H512 PolarHBondContact NE2-NE2 3.43Å; M509-H512 CarbonylContact O-C 3.47Å; M509-H512 WeakPolarHBondContact O-CA 3.39Å; M509-H512 WeakPolarHBondContact O-CB 3.39Å; M509-H512 PolarHBondContact O-N 3.23Å; E510-H512 PolarHBondContact O-N 3.41Å; H512-G514 PolarHBondContact O-N 3.35Å
513	A	50.5	Low	63.8	Low	71 Å²	71	67.8 Å²	67.8	59%	0.587	38%	0.378	S	S	*	.	H	α-helix	trans	-79.6	-3.8	179.9	0	0	0	0	0	113.1	M509 E510 V515	M509-A513 WeakPolarHBondContact O-CB 3.45Å; M509-A513 PolarHBondContact O-N 3.42Å; E510-A513 PolarHBondContact O-N 3.37Å; A513-V515 HydrophobicContact CB-CB 4.35Å; A513-V515 HydrophobicContact CB-CG2 3.76Å; A513-V515 PolarHBondContact O-N 3.48Å
514	G	47.8	Very low	63.7	Low	46 Å²	46	68.6 Å²	68.6	47%	0.474	38%	0.376	S	S	.	.			trans	68.4	-1.8	-171.1	0	0	0	0	0	113.7	E510 H512 R516	E510-G514 PolarHBondContact O-N 3.38Å; H512-G514 PolarHBondContact O-N 3.35Å; G514-R516 PolarHBondContact O-N 3.25Å; G514-R516 VanDerWaalsContact O-N 3.09Å
515	V	44.8	Very low	63.6	Low	91 Å²	91	75 Å²	75	55%	0.552	39%	0.393	S	S	*	.			trans	-65.1	113	178.8	178.5	0	0	0	0	107.9	E510 A513 S517	E510-V515 PolarHBondContact O-N 3.12Å; A513-V515 HydrophobicContact CB-CB 4.35Å; A513-V515 HydrophobicContact CB-CG2 3.76Å; A513-V515 PolarHBondContact O-N 3.48Å; V515-S517 PolarHBondContact O-N 3.43Å
516	R	46	Very low	63.6	Low	142 Å²	142	77.6 Å²	77.6	54%	0.536	41%	0.41	S	S	.	.			trans	-51.8	90.5	-167.1	-75.1	172.7	146.9	114.7	3.8	113.2	D101 G514 Y518 I519	D101-R516 VanDerWaalsContact CG-NH1 3.29Å; D101-R516 IonicContact OD1-CZ 3.6Å; D101-R516 IonicContact OD1-NH1 2.67Å; D101-R516 PolarHBondContact OD1-NH1 3.13Å; D101-R516 IonicContact OD1-NH2 2.63Å; D101-R516 PolarHBondContact OD1-NH2 2.78Å; D101-R516 IonicContact OD2-CZ 2.77Å; D101-R516 IonicContact OD2-NH1 3.39Å; D101-R516 PolarHBondContact OD2-NH1 3.31Å; D101-R516 IonicContact OD2-NH2 3.47Å; G514-R516 PolarHBondContact O-N 3.25Å; G514-R516 VanDerWaalsContact O-N 3.09Å; R516-Y518 PolarHBondContact O-N 3.29Å; R516-I519 HydrophobicContact CB-CD1 3.73Å; R516-I519 HydrophobicContact CB-CG1 4.28Å; R516-I519 HydrophobicContact CG-CD1 3.79Å
517	S	63.4	Low	63.7	Low	11 Å²	11	73.2 Å²	73.2	8%	0.077	39%	0.389	C	S	.	.			trans	-72	117.8	175.2	50.2	0	0	0	0	110.5	V515 I519 T526 F527	V515-S517 PolarHBondContact O-N 3.43Å; S517-I519 PolarHBondContact O-N 3.39Å; S517-T526 WeakPolarHBondContact O-CA 3.45Å; S517-T526 WeakPolarHBondContact O-CB 3.24Å; S517-F527 CarbonylContact C-O 3.54Å; S517-F527 VanDerWaalsContact CB-O 3.3Å; S517-F527 WeakPolarHBondContact CB-O 3.49Å; S517-F527 PolarHBondContact O-N 2.8Å
518	Y	62.3	Low	63.5	Low	100 Å²	100	73.1 Å²	73.1	39%	0.392	40%	0.395	S	S	.	.	S	Bend	trans	22.9	82	176.3	-64.4	-80.8	0	0	0	115.6	R516 F527 H530 L533	R516-Y518 PolarHBondContact O-N 3.29Å; Y518-F527 PolarHBondContact O-N 3.17Å; Y518-F527 VanDerWaalsContact O-N 3.13Å; Y518-H530 HydrophobicContact CD1-CB 3.92Å; Y518-H530 AromaticContact CD1-CD2 3.97Å; Y518-H530 HydrophobicContact CD2-CB 4.46Å; Y518-H530 VanDerWaalsContact CD2-N 3.25Å; Y518-H530 HydrophobicContact CE1-CB 3.57Å; Y518-H530 AromaticContact CE1-CD2 3.94Å; Y518-H530 HydrophobicContact CE2-CB 4.13Å; Y518-H530 HydrophobicContact CG-CB 4.35Å; Y518-L533 HydrophobicContact CD1-CD2 4.29Å
519	I	66.7	Low	63.7	Low	64 Å²	64	73.1 Å²	73.1	33%	0.328	40%	0.397	S	S	.	.			trans	-72.3	137.1	177.7	-63.5	167.3	0	0	0	110.9	R516 S517 R525 T526	R516-I519 HydrophobicContact CB-CD1 3.73Å; R516-I519 HydrophobicContact CB-CG1 4.28Å; R516-I519 HydrophobicContact CG-CD1 3.79Å; S517-I519 PolarHBondContact O-N 3.39Å; I519-R525 WeakPolarHBondContact CA-O 3.12Å; I519-T526 HydrophobicContact CG1-CG2 3.82Å
520	C	77.5	Confident	64.4	Low	0 Å²	0	75 Å²	75	0%	0	40%	0.404	C	S	.	.			trans	-76.4	117.4	164.8	-174.8	0	0	0	0	111.2	E522 C523 N524 R525 F527 L533 H536 H540	C520-E522 PolarHBondContact O-N 3.02Å; C520-C523 PolarHBondContact O-N 3.37Å; C520-N524 VanDerWaalsContact O-CA 3.31Å; C520-N524 WeakPolarHBondContact O-CA 3.37Å; C520-N524 PolarHBondContact O-N 3.14Å; C520-R525 PolarHBondContact N-O 3.14Å; C520-F527 HydrophobicContact CB-CE2 4.17Å; C520-L533 HydrophobicContact CB-CD1 3.77Å; C520-H536 WeakPolarHBondContact CB-NE2 3.41Å; C520-H536 VanDerWaalsContact SG-CD2 3.57Å; C520-H536 PolarHBondContact SG-NE2 2.6Å; C520-H540 PolarHBondContact SG-NE2 2.85Å
521	S	75.5	Confident	65.2	Low	105 Å²	105	77.3 Å²	77.3	73%	0.734	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-11.4	177.8	52.5	0	0	0	0	115
522	E	77.2	Confident	66.1	Low	115 Å²	115	74.2 Å²	74.2	54%	0.537	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-15	-178.6	-69.4	-172.7	-128.2	0	0	114.6	C520 H540	C520-E522 PolarHBondContact O-N 3.02Å; E522-H540 WeakPolarHBondContact CB-CE1 3.5Å; E522-H540 WeakPolarHBondContact CB-ND1 3.4Å; E522-H540 WeakPolarHBondContact OE1-CB 3.45Å; E522-H540 IonicContact OE1-CG 2.79Å; E522-H540 VanDerWaalsContact OE2-CB 3.28Å; E522-H540 WeakPolarHBondContact OE2-CB 3.33Å; E522-H540 IonicContact OE2-CE1 2.7Å; E522-H540 IonicContact OE2-CG 3.85Å; E522-H540 VanDerWaalsContact OE2-CG 3.29Å; E522-H540 IonicContact OE2-ND1 3.69Å; E522-H540 PolarHBondContact OE2-ND1 3.18Å
523	C	75.6	Confident	67.4	Low	49 Å²	49	71.9 Å²	71.9	33%	0.331	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.3	13.8	176.7	69.2	0	0	0	0	115.1	C520 R525 H536 H540	C520-C523 PolarHBondContact O-N 3.37Å; C523-R525 PolarHBondContact O-N 2.79Å; C523-H536 VanDerWaalsContact SG-CE1 3.55Å; C523-H536 PolarHBondContact SG-NE2 2.8Å; C523-H540 PolarHBondContact SG-NE2 2.92Å
524	N	71.3	Confident	68.9	Low	104 Å²	104	74.7 Å²	74.7	56%	0.556	39%	0.394	S	S	*	.			trans	53.7	14.5	177.4	-61.9	-4.4	0	0	0	115.8	C520	C520-N524 VanDerWaalsContact O-CA 3.31Å; C520-N524 WeakPolarHBondContact O-CA 3.37Å; C520-N524 PolarHBondContact O-N 3.14Å
525	R	69	Low	70.5	Confident	166 Å²	166	78.4 Å²	78.4	63%	0.626	39%	0.393	S	S	*	.			trans	-72.4	130.5	175.2	-70.1	-179.1	-177.3	-164.1	-0.2	110.6	I519 C520 C523 F527	I519-R525 WeakPolarHBondContact CA-O 3.12Å; C520-R525 PolarHBondContact N-O 3.14Å; C523-R525 PolarHBondContact O-N 2.79Å; R525-F527 HydrophobicContact CB-CE2 3.58Å; R525-F527 HydrophobicContact CB-CZ 3.9Å; R525-F527 VanDerWaalsContact O-CD2 3.29Å; R525-F527 WeakPolarHBondContact O-CD2 3.45Å; R525-F527 VanDerWaalsContact O-CE2 3.26Å; R525-F527 WeakPolarHBondContact O-CE2 3.49Å
526	T	65.5	Low	72.2	Confident	83 Å²	83	75 Å²	75	51%	0.509	37%	0.372	S	S	.	.			trans	-81.6	144	173.4	46.2	0	0	0	0	111.4	S517 I519	S517-T526 WeakPolarHBondContact O-CA 3.45Å; S517-T526 WeakPolarHBondContact O-CB 3.24Å; I519-T526 HydrophobicContact CG1-CG2 3.82Å
527	F	69.2	Low	74	Confident	36 Å²	36	70.8 Å²	70.8	16%	0.158	36%	0.359	C	S	.	.			trans	-131.4	134.9	179.2	-69.8	-85.4	0	0	0	110.8	S517 Y518 C520 R525 S529 A532 L533 H536	S517-F527 CarbonylContact C-O 3.54Å; S517-F527 VanDerWaalsContact CB-O 3.3Å; S517-F527 WeakPolarHBondContact CB-O 3.49Å; S517-F527 PolarHBondContact O-N 2.8Å; Y518-F527 PolarHBondContact O-N 3.17Å; Y518-F527 VanDerWaalsContact O-N 3.13Å; C520-F527 HydrophobicContact CB-CE2 4.17Å; R525-F527 HydrophobicContact CB-CE2 3.58Å; R525-F527 HydrophobicContact CB-CZ 3.9Å; R525-F527 VanDerWaalsContact O-CD2 3.29Å; R525-F527 WeakPolarHBondContact O-CD2 3.45Å; R525-F527 VanDerWaalsContact O-CE2 3.26Å; R525-F527 WeakPolarHBondContact O-CE2 3.49Å; F527-S529 PolarHBondContact O-N 2.83Å; F527-A532 HydrophobicContact CB-CB 4.1Å; F527-A532 HydrophobicContact CD1-CB 4.14Å; F527-L533 HydrophobicContact CB-CB 4.06Å; F527-L533 HydrophobicContact CD2-CB 4.28Å; F527-L533 HydrophobicContact CD2-CD1 3.89Å; F527-L533 HydrophobicContact CE2-CD1 4.35Å; F527-L533 HydrophobicContact CG-CB 4.3Å; F527-H536 HydrophobicContact CD1-CB 4.25Å; F527-H536 HydrophobicContact CD2-CB 4.5Å; F527-H536 HydrophobicContact CE1-CB 3.61Å; F527-H536 AromaticContact CE1-CG 3.8Å; F527-H536 HydrophobicContact CE2-CB 3.92Å; F527-H536 AromaticContact CE2-CD2 3.05Å; F527-H536 WeakPolarHBondContact CE2-CD2 3.41Å; F527-H536 AromaticContact CE2-CG 3.48Å; F527-H536 VanDerWaalsContact CE2-CG 3.48Å; F527-H536 AromaticContact CE2-NE2 3.64Å; F527-H536 HydrophobicContact CZ-CB 3.44Å; F527-H536 VanDerWaalsContact CZ-CB 3.44Å; F527-H536 AromaticContact CZ-CD2 3.21Å; F527-H536 WeakPolarHBondContact CZ-CD2 3.25Å; F527-H536 AromaticContact CZ-CE1 3.98Å; F527-H536 AromaticContact CZ-CG 3.09Å; F527-H536 AromaticContact CZ-ND1 3.63Å; F527-H536 AromaticContact CZ-NE2 3.74Å
528	P	63.2	Low	74.9	Confident	68 Å²	68	73.3 Å²	73.3	44%	0.442	37%	0.367	S	S	.	.	S	Bend	trans	-69.8	0.9	-175.8	31.6	-38.2	0	0	0	113.7	Q507 V511	Q507-P528 WeakPolarHBondContact CG-O 3.46Å; Q507-P528 PolarHBondContact NE2-O 3.22Å; V511-P528 HydrophobicContact CG2-CB 4.04Å
529	S	71.6	Confident	75.7	Confident	16 Å²	16	70.3 Å²	70.3	11%	0.112	36%	0.361	C	S	.	.	S	Bend	trans	-160.6	154.6	174.4	73.8	0	0	0	0	112	F527 T531 A532 L533	F527-S529 PolarHBondContact O-N 2.83Å; S529-T531 PolarHBondContact O-N 3.26Å; S529-T531 PolarHBondContact OG-OG1 3.42Å; S529-A532 WeakPolarHBondContact O-CB 3.42Å; S529-A532 PolarHBondContact O-N 2.81Å; S529-A532 VanDerWaalsContact O-N 3.07Å; S529-A532 WeakPolarHBondContact OG-CB 3.3Å; S529-A532 PolarHBondContact OG-N 3.34Å; S529-L533 PolarHBondContact O-N 2.77Å
530	H	76.5	Confident	76.3	Confident	103 Å²	103	70 Å²	70	48%	0.477	36%	0.358	S	S	.	.	H	α-helix	trans	-57.1	-35.3	172.3	-175.1	-124.6	0	0	0	112.5	Y518 L533 K534	Y518-H530 HydrophobicContact CD1-CB 3.92Å; Y518-H530 AromaticContact CD1-CD2 3.97Å; Y518-H530 HydrophobicContact CD2-CB 4.46Å; Y518-H530 VanDerWaalsContact CD2-N 3.25Å; Y518-H530 HydrophobicContact CE1-CB 3.57Å; Y518-H530 AromaticContact CE1-CD2 3.94Å; Y518-H530 HydrophobicContact CE2-CB 4.13Å; Y518-H530 HydrophobicContact CG-CB 4.35Å; H530-L533 PolarHBondContact O-N 3.02Å; H530-K534 VanDerWaalsContact O-CB 3.31Å; H530-K534 WeakPolarHBondContact O-CB 3.3Å; H530-K534 PolarHBondContact O-N 3.19Å
531	T	80.6	Confident	76.2	Confident	110 Å²	110	74.7 Å²	74.7	68%	0.675	39%	0.387	S	S	*	.	H	α-helix	trans	-68.5	-36	176.8	51.6	0	0	0	0	112.1	S529 R535	S529-T531 PolarHBondContact O-N 3.26Å; S529-T531 PolarHBondContact OG-OG1 3.42Å; T531-R535 WeakPolarHBondContact O-CB 3.43Å; T531-R535 PolarHBondContact O-N 2.91Å; T531-R535 VanDerWaalsContact O-N 3.08Å
532	A	79	Confident	76.2	Confident	11 Å²	11	71.6 Å²	71.6	9%	0.091	37%	0.371	C	S	.	.	H	α-helix	trans	-69.5	-42.2	173.2	0	0	0	0	0	111.7	F527 S529 R535 H536	F527-A532 HydrophobicContact CB-CB 4.1Å; F527-A532 HydrophobicContact CD1-CB 4.14Å; S529-A532 WeakPolarHBondContact O-CB 3.42Å; S529-A532 PolarHBondContact O-N 2.81Å; S529-A532 VanDerWaalsContact O-N 3.07Å; S529-A532 WeakPolarHBondContact OG-CB 3.3Å; S529-A532 PolarHBondContact OG-N 3.34Å; A532-R535 PolarHBondContact O-N 3.28Å; A532-H536 WeakPolarHBondContact O-CB 3.35Å; A532-H536 PolarHBondContact O-N 2.81Å
533	L	81.7	Confident	76.2	Confident	18 Å²	18	69.7 Å²	69.7	9%	0.094	37%	0.365	C	S	.	.	H	α-helix	trans	-60.8	-51.9	172.6	173.3	60.7	0	0	0	111.4	Y518 C520 F527 S529 H530 R535 H536 L537	Y518-L533 HydrophobicContact CD1-CD2 4.29Å; C520-L533 HydrophobicContact CB-CD1 3.77Å; F527-L533 HydrophobicContact CB-CB 4.06Å; F527-L533 HydrophobicContact CD2-CB 4.28Å; F527-L533 HydrophobicContact CD2-CD1 3.89Å; F527-L533 HydrophobicContact CE2-CD1 4.35Å; F527-L533 HydrophobicContact CG-CB 4.3Å; S529-L533 PolarHBondContact O-N 2.77Å; H530-L533 PolarHBondContact O-N 3.02Å; L533-R535 VanDerWaalsContact C-N 3.27Å; L533-R535 PolarHBondContact O-N 3.5Å; L533-H536 CarbonylContact O-C 3.55Å; L533-H536 WeakPolarHBondContact O-CA 3.5Å; L533-H536 WeakPolarHBondContact O-CB 3.21Å; L533-H536 PolarHBondContact O-N 3.38Å; L533-L537 HydrophobicContact CD1-CD1 4.26Å; L533-L537 HydrophobicContact CD1-CD2 4.38Å; L533-L537 HydrophobicContact CD1-CG 4.02Å; L533-L537 HydrophobicContact CG-CD1 4.09Å; L533-L537 HydrophobicContact CG-CG 4.31Å; L533-L537 WeakPolarHBondContact O-CG 3.26Å; L533-L537 PolarHBondContact O-N 2.88Å
534	K	82.2	Confident	76.4	Confident	130 Å²	130	69.3 Å²	69.3	57%	0.565	36%	0.358	S	S	*	.	H	α-helix	trans	-58.7	-38.6	-179.5	-173.7	171.3	-176.4	172.9	0	112.3	H530 L537 R538	H530-K534 VanDerWaalsContact O-CB 3.31Å; H530-K534 WeakPolarHBondContact O-CB 3.3Å; H530-K534 PolarHBondContact O-N 3.19Å; K534-L537 PolarHBondContact O-N 2.78Å; K534-R538 PolarHBondContact O-N 3.28Å
535	R	80.8	Confident	76.9	Confident	124 Å²	124	67.6 Å²	67.6	47%	0.468	35%	0.353	S	S	.	.	H	α-helix	trans	-64.1	-40.5	170.4	169.9	173.1	60	174.8	-2.8	112.3	T531 A532 L533 R538 D557	T531-R535 WeakPolarHBondContact O-CB 3.43Å; T531-R535 PolarHBondContact O-N 2.91Å; T531-R535 VanDerWaalsContact O-N 3.08Å; A532-R535 PolarHBondContact O-N 3.28Å; L533-R535 VanDerWaalsContact C-N 3.27Å; L533-R535 PolarHBondContact O-N 3.5Å; R535-R538 WeakPolarHBondContact O-CB 3.05Å; R535-R538 PolarHBondContact O-N 2.98Å; R535-D557 WeakPolarHBondContact CD-OD1 3.43Å; R535-D557 WeakPolarHBondContact CD-OD2 3.28Å; R535-D557 WeakPolarHBondContact CG-OD1 3.43Å; R535-D557 IonicContact CZ-OD2 3.59Å; R535-D557 IonicContact NE-OD2 3.5Å; R535-D557 IonicContact NH1-OD2 2.67Å; R535-D557 PolarHBondContact NH1-OD2 2.86Å
536	H	82.1	Confident	77.6	Confident	21 Å²	21	63.2 Å²	63.2	10%	0.097	34%	0.337	C	S	.	.	H	α-helix	trans	-69.8	-32.8	176.9	165	64.4	0	0	0	112.7	C520 C523 F527 A532 L533 R538 S539 H540	C520-H536 WeakPolarHBondContact CB-NE2 3.41Å; C520-H536 VanDerWaalsContact SG-CD2 3.57Å; C520-H536 PolarHBondContact SG-NE2 2.6Å; C523-H536 VanDerWaalsContact SG-CE1 3.55Å; C523-H536 PolarHBondContact SG-NE2 2.8Å; F527-H536 HydrophobicContact CD1-CB 4.25Å; F527-H536 HydrophobicContact CD2-CB 4.5Å; F527-H536 HydrophobicContact CE1-CB 3.61Å; F527-H536 AromaticContact CE1-CG 3.8Å; F527-H536 HydrophobicContact CE2-CB 3.92Å; F527-H536 AromaticContact CE2-CD2 3.05Å; F527-H536 WeakPolarHBondContact CE2-CD2 3.41Å; F527-H536 AromaticContact CE2-CG 3.48Å; F527-H536 VanDerWaalsContact CE2-CG 3.48Å; F527-H536 AromaticContact CE2-NE2 3.64Å; F527-H536 HydrophobicContact CZ-CB 3.44Å; F527-H536 VanDerWaalsContact CZ-CB 3.44Å; F527-H536 AromaticContact CZ-CD2 3.21Å; F527-H536 WeakPolarHBondContact CZ-CD2 3.25Å; F527-H536 AromaticContact CZ-CE1 3.98Å; F527-H536 AromaticContact CZ-CG 3.09Å; F527-H536 AromaticContact CZ-ND1 3.63Å; F527-H536 AromaticContact CZ-NE2 3.74Å; A532-H536 WeakPolarHBondContact O-CB 3.35Å; A532-H536 PolarHBondContact O-N 2.81Å; L533-H536 CarbonylContact O-C 3.55Å; L533-H536 WeakPolarHBondContact O-CA 3.5Å; L533-H536 WeakPolarHBondContact O-CB 3.21Å; L533-H536 PolarHBondContact O-N 3.38Å; H536-R538 PolarHBondContact O-N 3.23Å; H536-S539 PolarHBondContact CE1-OG 3.14Å; H536-S539 PolarHBondContact ND1-OG 3.49Å; H536-S539 WeakPolarHBondContact O-CA 3.48Å; H536-S539 WeakPolarHBondContact O-CB 3.21Å; H536-S539 PolarHBondContact O-N 3.25Å; H536-S539 PolarHBondContact O-OG 3.45Å; H536-H540 AromaticContact CE1-CD2 3.61Å; H536-H540 AromaticContact CE1-NE2 3.33Å; H536-H540 PolarHBondContact CE1-NE2 2.91Å; H536-H540 VanDerWaalsContact CE1-NE2 3.33Å; H536-H540 AromaticContact NE2-CD2 3.58Å; H536-H540 AromaticContact NE2-NE2 3.28Å; H536-H540 PolarHBondContact NE2-NE2 2.98Å
537	L	82.6	Confident	78.6	Confident	52 Å²	52	65 Å²	65	27%	0.272	34%	0.34	S	S	.	.	H	α-helix	trans	-61	-28.9	173.1	-69.6	170.1	0	0	0	112.2	L533 K534 S539 H540 T541	L533-L537 HydrophobicContact CD1-CD1 4.26Å; L533-L537 HydrophobicContact CD1-CD2 4.38Å; L533-L537 HydrophobicContact CD1-CG 4.02Å; L533-L537 HydrophobicContact CG-CD1 4.09Å; L533-L537 HydrophobicContact CG-CG 4.31Å; L533-L537 WeakPolarHBondContact O-CG 3.26Å; L533-L537 PolarHBondContact O-N 2.88Å; K534-L537 PolarHBondContact O-N 2.78Å; L537-S539 PolarHBondContact O-N 3.49Å; L537-S539 VanDerWaalsContact O-N 3.12Å; L537-H540 WeakPolarHBondContact O-CB 3.36Å; L537-H540 PolarHBondContact O-N 3.24Å; L537-T541 PolarHBondContact O-N 3.29Å; L537-T541 PolarHBondContact O-OG1 3.11Å
538	R	82.4	Confident	79.5	Confident	64 Å²	64	63.3 Å²	63.3	24%	0.242	33%	0.332	C	S	.	.	H	α-helix	trans	-61.1	-16.4	167.1	-62.5	-174	177.2	146.4	3.7	114.5	K534 R535 H536 D543 R556	K534-R538 PolarHBondContact O-N 3.28Å; R535-R538 WeakPolarHBondContact O-CB 3.05Å; R535-R538 PolarHBondContact O-N 2.98Å; H536-R538 PolarHBondContact O-N 3.23Å; R538-D543 HydrophobicContact CB-CB 4.35Å; R538-D543 WeakPolarHBondContact CB-O 3.29Å; R538-D543 HydrophobicContact CG-CB 4.22Å; R538-D543 IonicContact NE-OD2 2.65Å; R538-D543 PolarHBondContact O-N 3.08Å; R538-R556 HydrophobicContact CB-CG 4.38Å; R538-R556 PolarHBondContact NH1-O 3.31Å
539	S	78.5	Confident	80.7	Confident	38 Å²	38	67.1 Å²	67.1	27%	0.266	34%	0.344	S	S	.	.	H	α-helix	trans	-81	-21.6	172.3	74.6	0	0	0	0	114	H536 L537 R556	H536-S539 PolarHBondContact CE1-OG 3.14Å; H536-S539 PolarHBondContact ND1-OG 3.49Å; H536-S539 WeakPolarHBondContact O-CA 3.48Å; H536-S539 WeakPolarHBondContact O-CB 3.21Å; H536-S539 PolarHBondContact O-N 3.25Å; H536-S539 PolarHBondContact O-OG 3.45Å; L537-S539 PolarHBondContact O-N 3.49Å; L537-S539 VanDerWaalsContact O-N 3.12Å; S539-R556 VanDerWaalsContact CA-CZ 3.42Å; S539-R556 VanDerWaalsContact CB-NH1 3.28Å
540	H	79.6	Confident	81.2	Confident	58 Å²	58	72 Å²	72	27%	0.269	36%	0.363	S	S	.	.	H	α-helix	trans	-87.8	-53.1	175.3	-78.3	-84.7	0	0	0	111.6	C520 E522 C523 H536 L537 G542	C520-H540 PolarHBondContact SG-NE2 2.85Å; E522-H540 WeakPolarHBondContact CB-CE1 3.5Å; E522-H540 WeakPolarHBondContact CB-ND1 3.4Å; E522-H540 WeakPolarHBondContact OE1-CB 3.45Å; E522-H540 IonicContact OE1-CG 2.79Å; E522-H540 VanDerWaalsContact OE2-CB 3.28Å; E522-H540 WeakPolarHBondContact OE2-CB 3.33Å; E522-H540 IonicContact OE2-CE1 2.7Å; E522-H540 IonicContact OE2-CG 3.85Å; E522-H540 VanDerWaalsContact OE2-CG 3.29Å; E522-H540 IonicContact OE2-ND1 3.69Å; E522-H540 PolarHBondContact OE2-ND1 3.18Å; C523-H540 PolarHBondContact SG-NE2 2.92Å; H536-H540 AromaticContact CE1-CD2 3.61Å; H536-H540 AromaticContact CE1-NE2 3.33Å; H536-H540 PolarHBondContact CE1-NE2 2.91Å; H536-H540 VanDerWaalsContact CE1-NE2 3.33Å; H536-H540 AromaticContact NE2-CD2 3.58Å; H536-H540 AromaticContact NE2-NE2 3.28Å; H536-H540 PolarHBondContact NE2-NE2 2.98Å; L537-H540 WeakPolarHBondContact O-CB 3.36Å; L537-H540 PolarHBondContact O-N 3.24Å; H540-G542 PolarHBondContact O-N 3.09Å; H540-G542 VanDerWaalsContact O-N 3.13Å
541	T	76.7	Confident	81.6	Confident	98 Å²	98	69.7 Å²	69.7	60%	0.601	36%	0.358	S	S	*	.	S	Bend	trans	-69.2	-11.3	-179.1	61.5	0	0	0	0	114.6	L537 D543	L537-T541 PolarHBondContact O-N 3.29Å; L537-T541 PolarHBondContact O-OG1 3.11Å; T541-D543 PolarHBondContact O-N 2.89Å; T541-D543 VanDerWaalsContact OG1-CB 3.3Å; T541-D543 WeakPolarHBondContact OG1-CB 3.3Å; T541-D543 PolarHBondContact OG1-N 3.47Å
542	G	74.8	Confident	81.7	Confident	40 Å²	40	66.3 Å²	66.3	41%	0.412	35%	0.345	S	S	.	.			trans	69	9.7	-170.6	0	0	0	0	0	114.2	H540 H544	H540-G542 PolarHBondContact O-N 3.09Å; H540-G542 VanDerWaalsContact O-N 3.13Å; G542-H544 PolarHBondContact O-CE1 3.06Å; G542-H544 PolarHBondContact O-N 2.85Å; G542-H544 PolarHBondContact O-ND1 3.33Å
543	D	76.8	Confident	81.9	Confident	75 Å²	75	67.1 Å²	67.1	40%	0.401	35%	0.35	S	S	.	.			trans	-66	119	-180	176.1	30.3	0	0	0	111.4	R538 T541	R538-D543 HydrophobicContact CB-CB 4.35Å; R538-D543 WeakPolarHBondContact CB-O 3.29Å; R538-D543 HydrophobicContact CG-CB 4.22Å; R538-D543 IonicContact NE-OD2 2.65Å; R538-D543 PolarHBondContact O-N 3.08Å; T541-D543 PolarHBondContact O-N 2.89Å; T541-D543 VanDerWaalsContact OG1-CB 3.3Å; T541-D543 WeakPolarHBondContact OG1-CB 3.3Å; T541-D543 PolarHBondContact OG1-N 3.47Å
544	H	79.9	Confident	82	Confident	40 Å²	40	68.4 Å²	68.4	19%	0.185	36%	0.36	C	S	.	.			trans	-133.6	74.4	-173.7	-64.7	-4.9	0	0	0	109.7	G542 Y546 C554 F555 R556	G542-H544 PolarHBondContact O-CE1 3.06Å; G542-H544 PolarHBondContact O-N 2.85Å; G542-H544 PolarHBondContact O-ND1 3.33Å; H544-Y546 PolarHBondContact O-N 3.3Å; H544-Y546 VanDerWaalsContact O-N 3.1Å; H544-C554 HydrophobicContact CB-CB 3.38Å; H544-F555 CarbonylContact C-O 3.47Å; H544-F555 VanDerWaalsContact C-O 3.25Å; H544-F555 VanDerWaalsContact CA-O 3.31Å; H544-F555 WeakPolarHBondContact CA-O 3.37Å; H544-R556 PolarHBondContact CE1-NE 3.15Å; H544-R556 WeakPolarHBondContact ND1-CG 3.24Å
545	P	82.4	Confident	82	Confident	69 Å²	69	63 Å²	63	45%	0.448	34%	0.336	S	S	.	.			trans	-72.3	-4.2	-169.2	28	-34.8	0	0	0	114.8
546	Y	84.7	Confident	81.9	Confident	73 Å²	73	61.7 Å²	61.7	29%	0.286	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	98.5	-176.6	-60.7	-77.1	0	0	0	111.2	H544 C554 F555 D557 E558	H544-Y546 PolarHBondContact O-N 3.3Å; H544-Y546 VanDerWaalsContact O-N 3.1Å; Y546-C554 CarbonylContact O-C 3.2Å; Y546-C554 WeakPolarHBondContact O-CA 3.48Å; Y546-F555 PolarHBondContact N-O 3.18Å; Y546-F555 WeakPolarHBondContact O-CB 3.43Å; Y546-F555 PolarHBondContact O-N 3.39Å; Y546-D557 VanDerWaalsContact CD2-C 3.46Å; Y546-E558 HydrophobicContact CD1-CB 3.92Å; Y546-E558 HydrophobicContact CD1-CG 4.19Å; Y546-E558 HydrophobicContact CE1-CB 3.62Å; Y546-E558 HydrophobicContact CE1-CG 4.06Å; Y546-E558 HydrophobicContact CE2-CB 4.42Å; Y546-E558 HydrophobicContact CG-CB 4.44Å
547	E	86.1	Confident	81.9	Confident	122 Å²	122	61.9 Å²	61.9	57%	0.57	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	146.7	178.9	-170.1	174.4	171.2	0	0	112.7	G552 L561	E547-G552 WeakPolarHBondContact OE1-CA 3.49Å; E547-L561 WeakPolarHBondContact O-CD2 3.43Å
548	C	87.9	Confident	82.1	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.346	C	S	.	.			trans	-92.1	108.5	171.9	-174.2	0	0	0	0	112	F550 C551 G552 S553 F555 L561 H564 H568	C548-F550 PolarHBondContact O-N 3.34Å; C548-C551 PolarHBondContact O-N 3.13Å; C548-G552 PolarHBondContact O-N 2.94Å; C548-S553 WeakPolarHBondContact CB-O 2.91Å; C548-S553 PolarHBondContact N-O 3.12Å; C548-F555 HydrophobicContact CB-CE2 4.18Å; C548-L561 HydrophobicContact CB-CD1 3.63Å; C548-H564 PolarHBondContact SG-CD2 2.84Å; C548-H564 PolarHBondContact SG-NE2 3.42Å; C548-H568 PolarHBondContact SG-NE2 3.21Å; C548-H568 VanDerWaalsContact SG-NE2 3.35Å
549	E	87.6	Confident	82.2	Confident	148 Å²	148	65.3 Å²	65.3	69%	0.692	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44	-29.2	174.2	-68.7	137	-135.3	0	0	115.2	K565	E549-K565 IonicContact OE1-NZ 2.83Å; E549-K565 PolarHBondContact OE1-NZ 2.89Å; E549-K565 IonicContact OE2-NZ 2.82Å; E549-K565 PolarHBondContact OE2-NZ 2.92Å
550	F	83.4	Confident	82.5	Confident	119 Å²	119	66.3 Å²	66.3	52%	0.522	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-17.6	-177.3	-61.4	-70.9	0	0	0	114.9	C548 H568	C548-F550 PolarHBondContact O-N 3.34Å; F550-H568 HydrophobicContact CB-CB 4.09Å; F550-H568 HydrophobicContact CD1-CB 4.46Å; F550-H568 HydrophobicContact CD2-CB 3.67Å; F550-H568 AromaticContact CD2-CD2 3.92Å; F550-H568 AromaticContact CD2-CG 3.85Å; F550-H568 HydrophobicContact CE2-CB 4.19Å; F550-H568 HydrophobicContact CG-CB 3.83Å; F550-H568 AromaticContact CG-CG 3.81Å
551	C	84.2	Confident	82.9	Confident	54 Å²	54	64.3 Å²	64.3	37%	0.365	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.2	7.1	-172.2	66.5	0	0	0	0	116.3	C548 S553 H564 H568	C548-C551 PolarHBondContact O-N 3.13Å; C551-S553 PolarHBondContact O-N 2.85Å; C551-S553 PolarHBondContact SG-OG 3.38Å; C551-H564 PolarHBondContact SG-NE2 3.31Å; C551-H568 WeakPolarHBondContact CB-CE1 3.31Å; C551-H568 WeakPolarHBondContact CB-NE2 3.15Å; C551-H568 VanDerWaalsContact SG-CE1 3.59Å; C551-H568 PolarHBondContact SG-NE2 3.31Å
552	G	83.4	Confident	83.4	Confident	39 Å²	39	66.1 Å²	66.1	40%	0.402	35%	0.354	S	S	.	.			trans	62.5	11.5	-179.2	0	0	0	0	0	115.1	E547 C548 C554	E547-G552 WeakPolarHBondContact OE1-CA 3.49Å; C548-G552 PolarHBondContact O-N 2.94Å; G552-C554 PolarHBondContact O-N 2.95Å
553	S	81.8	Confident	84	Confident	27 Å²	27	66.4 Å²	66.4	19%	0.189	35%	0.349	C	S	.	.			trans	-74.3	123	177.4	-69.5	0	0	0	0	110	C548 C551 F555	C548-S553 WeakPolarHBondContact CB-O 2.91Å; C548-S553 PolarHBondContact N-O 3.12Å; C551-S553 PolarHBondContact O-N 2.85Å; C551-S553 PolarHBondContact SG-OG 3.38Å; S553-F555 WeakPolarHBondContact O-CD2 3.47Å; S553-F555 WeakPolarHBondContact O-CE2 3.35Å
554	C	84.2	Confident	84.6	Confident	45 Å²	45	63.4 Å²	63.4	30%	0.304	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	143.9	-179.4	-47.1	0	0	0	0	112.1	H544 Y546 G552	H544-C554 HydrophobicContact CB-CB 3.38Å; Y546-C554 CarbonylContact O-C 3.2Å; Y546-C554 WeakPolarHBondContact O-CA 3.48Å; G552-C554 PolarHBondContact O-N 2.95Å
555	F	82.2	Confident	84.9	Confident	16 Å²	16	64 Å²	64	7%	0.07	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	150.9	-173.7	-67	-92	0	0	0	112	V288 H544 Y546 C548 S553 L561 H564	V288-F555 HydrophobicContact CG2-CE1 3.73Å; V288-F555 HydrophobicContact CG2-CZ 3.69Å; H544-F555 CarbonylContact C-O 3.47Å; H544-F555 VanDerWaalsContact C-O 3.25Å; H544-F555 VanDerWaalsContact CA-O 3.31Å; H544-F555 WeakPolarHBondContact CA-O 3.37Å; Y546-F555 PolarHBondContact N-O 3.18Å; Y546-F555 WeakPolarHBondContact O-CB 3.43Å; Y546-F555 PolarHBondContact O-N 3.39Å; C548-F555 HydrophobicContact CB-CE2 4.18Å; S553-F555 WeakPolarHBondContact O-CD2 3.47Å; S553-F555 WeakPolarHBondContact O-CE2 3.35Å; F555-L561 HydrophobicContact CB-CB 4.15Å; F555-L561 HydrophobicContact CD2-CB 4.08Å; F555-L561 HydrophobicContact CD2-CD1 3.77Å; F555-L561 HydrophobicContact CE2-CD1 4.05Å; F555-L561 HydrophobicContact CG-CB 4.14Å; F555-H564 HydrophobicContact CE1-CB 3.72Å; F555-H564 AromaticContact CE1-CG 3.96Å; F555-H564 HydrophobicContact CE2-CB 4.07Å; F555-H564 AromaticContact CE2-CD2 3.45Å; F555-H564 VanDerWaalsContact CE2-CD2 3.45Å; F555-H564 WeakPolarHBondContact CE2-CD2 3.29Å; F555-H564 AromaticContact CE2-CG 3.69Å; F555-H564 AromaticContact CE2-NE2 3.96Å; F555-H564 HydrophobicContact CZ-CB 3.43Å; F555-H564 VanDerWaalsContact CZ-CB 3.43Å; F555-H564 AromaticContact CZ-CD2 3.44Å; F555-H564 VanDerWaalsContact CZ-CD2 3.44Å; F555-H564 WeakPolarHBondContact CZ-CD2 3.32Å; F555-H564 AromaticContact CZ-CE1 3.95Å; F555-H564 AromaticContact CZ-CG 3.16Å; F555-H564 AromaticContact CZ-ND1 3.52Å; F555-H564 AromaticContact CZ-NE2 3.94Å
556	R	78.8	Confident	85.3	Confident	98 Å²	98	63 Å²	63	37%	0.37	32%	0.322	S	S	.	.	S	Bend	trans	-76.2	-29.6	179.1	-64.3	173.1	-175.8	155.6	-1	113.4	R538 S539 H544	R538-R556 HydrophobicContact CB-CG 4.38Å; R538-R556 PolarHBondContact NH1-O 3.31Å; S539-R556 VanDerWaalsContact CA-CZ 3.42Å; S539-R556 VanDerWaalsContact CB-NH1 3.28Å; H544-R556 PolarHBondContact CE1-NE 3.15Å; H544-R556 WeakPolarHBondContact ND1-CG 3.24Å
557	D	82.4	Confident	85.4	Confident	24 Å²	24	64 Å²	64	13%	0.128	33%	0.332	C	S	.	.	S	Bend	trans	-136	139.6	-174.5	-79.3	12.6	0	0	0	111.5	R535 Y546 S559 T560 L561	R535-D557 WeakPolarHBondContact CD-OD1 3.43Å; R535-D557 WeakPolarHBondContact CD-OD2 3.28Å; R535-D557 WeakPolarHBondContact CG-OD1 3.43Å; R535-D557 IonicContact CZ-OD2 3.59Å; R535-D557 IonicContact NE-OD2 3.5Å; R535-D557 IonicContact NH1-OD2 2.67Å; R535-D557 PolarHBondContact NH1-OD2 2.86Å; Y546-D557 VanDerWaalsContact CD2-C 3.46Å; D557-S559 VanDerWaalsContact C-N 3.26Å; D557-S559 PolarHBondContact O-N 2.92Å; D557-T560 HydrophobicContact CB-CG2 4.16Å; D557-T560 PolarHBondContact O-N 3.29Å; D557-T560 PolarHBondContact O-OG1 3.34Å; D557-L561 PolarHBondContact O-N 2.83Å; D557-L561 VanDerWaalsContact O-N 3.12Å
558	E	86.1	Confident	85.4	Confident	118 Å²	118	62.4 Å²	62.4	55%	0.551	32%	0.324	S	S	*	.	H	α-helix	trans	-56.3	-37.8	174.8	-163.1	-165.1	149.3	0	0	112.9	Y546 T560 L561 K562	Y546-E558 HydrophobicContact CD1-CB 3.92Å; Y546-E558 HydrophobicContact CD1-CG 4.19Å; Y546-E558 HydrophobicContact CE1-CB 3.62Å; Y546-E558 HydrophobicContact CE1-CG 4.06Å; Y546-E558 HydrophobicContact CE2-CB 4.42Å; Y546-E558 HydrophobicContact CG-CB 4.44Å; E558-T560 PolarHBondContact O-N 3.38Å; E558-L561 PolarHBondContact O-N 3.41Å; E558-K562 WeakPolarHBondContact O-CB 3.43Å; E558-K562 PolarHBondContact O-N 3.22Å
559	S	84.6	Confident	85.4	Confident	71 Å²	71	65.7 Å²	65.7	50%	0.497	34%	0.344	S	S	.	.	H	α-helix	trans	-61.7	-33.4	177.8	63.2	0	0	0	0	112.4	D557 S563	D557-S559 VanDerWaalsContact C-N 3.26Å; D557-S559 PolarHBondContact O-N 2.92Å; S559-S563 WeakPolarHBondContact O-CB 3.49Å; S559-S563 PolarHBondContact O-N 3.06Å; S559-S563 VanDerWaalsContact O-N 3.09Å; S559-S563 PolarHBondContact O-OG 2.84Å
560	T	84.8	Confident	85.2	Confident	59 Å²	59	60.9 Å²	60.9	36%	0.362	33%	0.334	S	S	.	.	H	α-helix	trans	-77.2	-38.3	175.5	64.5	0	0	0	0	111.6	D557 E558 S563 H564	D557-T560 HydrophobicContact CB-CG2 4.16Å; D557-T560 PolarHBondContact O-N 3.29Å; D557-T560 PolarHBondContact O-OG1 3.34Å; E558-T560 PolarHBondContact O-N 3.38Å; T560-S563 PolarHBondContact O-N 3Å; T560-H564 WeakPolarHBondContact O-CB 3.36Å; T560-H564 PolarHBondContact O-N 3.04Å
561	L	88.8	Confident	85.5	Confident	15 Å²	15	60.3 Å²	60.3	8%	0.079	33%	0.333	C	S	.	.	H	α-helix	trans	-60.7	-49	170.6	172.3	61.3	0	0	0	111.3	E547 C548 F555 D557 E558 S563 H564 K565	E547-L561 WeakPolarHBondContact O-CD2 3.43Å; C548-L561 HydrophobicContact CB-CD1 3.63Å; F555-L561 HydrophobicContact CB-CB 4.15Å; F555-L561 HydrophobicContact CD2-CB 4.08Å; F555-L561 HydrophobicContact CD2-CD1 3.77Å; F555-L561 HydrophobicContact CE2-CD1 4.05Å; F555-L561 HydrophobicContact CG-CB 4.14Å; D557-L561 PolarHBondContact O-N 2.83Å; D557-L561 VanDerWaalsContact O-N 3.12Å; E558-L561 PolarHBondContact O-N 3.41Å; L561-S563 VanDerWaalsContact C-N 3.29Å; L561-S563 PolarHBondContact O-N 3.2Å; L561-H564 CarbonylContact O-C 3.51Å; L561-H564 WeakPolarHBondContact O-CA 3.36Å; L561-H564 WeakPolarHBondContact O-CB 3.49Å; L561-H564 PolarHBondContact O-N 2.78Å; L561-K565 HydrophobicContact CD1-CG 4.1Å; L561-K565 HydrophobicContact CG-CG 4.43Å; L561-K565 PolarHBondContact O-N 2.89Å
562	K	87.4	Confident	85.7	Confident	136 Å²	136	63.2 Å²	63.2	59%	0.591	34%	0.34	S	S	*	.	H	α-helix	trans	-60.4	-39.3	178.3	-172.3	170.5	-172.6	166.8	0	112	E558 H564	E558-K562 WeakPolarHBondContact O-CB 3.43Å; E558-K562 PolarHBondContact O-N 3.22Å; K562-H564 VanDerWaalsContact C-N 3.34Å
563	S	86.6	Confident	86	Confident	46 Å²	46	64.8 Å²	64.8	32%	0.322	34%	0.343	S	S	.	.	H	α-helix	trans	-65.7	-35.9	173.3	-63.1	0	0	0	0	112.5	S559 T560 L561	S559-S563 WeakPolarHBondContact O-CB 3.49Å; S559-S563 PolarHBondContact O-N 3.06Å; S559-S563 VanDerWaalsContact O-N 3.09Å; S559-S563 PolarHBondContact O-OG 2.84Å; T560-S563 PolarHBondContact O-N 3Å; L561-S563 VanDerWaalsContact C-N 3.29Å; L561-S563 PolarHBondContact O-N 3.2Å
564	H	88.5	Confident	86.5	Confident	12 Å²	12	67 Å²	67	6%	0.056	35%	0.348	C	S	.	.	H	α-helix	trans	-74.9	-38.2	175.9	166.6	83	0	0	0	113.1	C548 C551 F555 T560 L561 K562 R566 I567 H568	C548-H564 PolarHBondContact SG-CD2 2.84Å; C548-H564 PolarHBondContact SG-NE2 3.42Å; C551-H564 PolarHBondContact SG-NE2 3.31Å; F555-H564 HydrophobicContact CE1-CB 3.72Å; F555-H564 AromaticContact CE1-CG 3.96Å; F555-H564 HydrophobicContact CE2-CB 4.07Å; F555-H564 AromaticContact CE2-CD2 3.45Å; F555-H564 VanDerWaalsContact CE2-CD2 3.45Å; F555-H564 WeakPolarHBondContact CE2-CD2 3.29Å; F555-H564 AromaticContact CE2-CG 3.69Å; F555-H564 AromaticContact CE2-NE2 3.96Å; F555-H564 HydrophobicContact CZ-CB 3.43Å; F555-H564 VanDerWaalsContact CZ-CB 3.43Å; F555-H564 AromaticContact CZ-CD2 3.44Å; F555-H564 VanDerWaalsContact CZ-CD2 3.44Å; F555-H564 WeakPolarHBondContact CZ-CD2 3.32Å; F555-H564 AromaticContact CZ-CE1 3.95Å; F555-H564 AromaticContact CZ-CG 3.16Å; F555-H564 AromaticContact CZ-ND1 3.52Å; F555-H564 AromaticContact CZ-NE2 3.94Å; T560-H564 WeakPolarHBondContact O-CB 3.36Å; T560-H564 PolarHBondContact O-N 3.04Å; L561-H564 CarbonylContact O-C 3.51Å; L561-H564 WeakPolarHBondContact O-CA 3.36Å; L561-H564 WeakPolarHBondContact O-CB 3.49Å; L561-H564 PolarHBondContact O-N 2.78Å; K562-H564 VanDerWaalsContact C-N 3.34Å; H564-R566 PolarHBondContact O-N 3.21Å; H564-R566 VanDerWaalsContact O-N 3.1Å; H564-I567 VanDerWaalsContact O-CB 3.23Å; H564-I567 WeakPolarHBondContact O-CB 3.46Å; H564-I567 WeakPolarHBondContact O-CG1 3.31Å; H564-I567 PolarHBondContact O-N 2.99Å; H564-H568 AromaticContact CD2-NE2 3.52Å; H564-H568 AromaticContact CE1-NE2 2.89Å; H564-H568 PolarHBondContact CE1-NE2 2.88Å; H564-H568 AromaticContact NE2-CD2 3.72Å; H564-H568 AromaticContact NE2-NE2 2.4Å; H564-H568 PolarHBondContact NE2-NE2 3.37Å
565	K	88.2	Confident	86.8	Confident	52 Å²	52	68.8 Å²	68.8	23%	0.226	35%	0.352	C	S	.	.	H	α-helix	trans	-55.4	-30	176.6	-76.4	-165.8	177.4	-165.8	0	112.2	E549 L561 I567 H568 T569	E549-K565 IonicContact OE1-NZ 2.83Å; E549-K565 PolarHBondContact OE1-NZ 2.89Å; E549-K565 IonicContact OE2-NZ 2.82Å; E549-K565 PolarHBondContact OE2-NZ 2.92Å; L561-K565 HydrophobicContact CD1-CG 4.1Å; L561-K565 HydrophobicContact CG-CG 4.43Å; L561-K565 PolarHBondContact O-N 2.89Å; K565-I567 PolarHBondContact O-N 3.49Å; K565-H568 PolarHBondContact O-N 3.25Å; K565-T569 PolarHBondContact O-N 2.6Å
566	R	89.3	Confident	87.3	Confident	48 Å²	48	68 Å²	68	18%	0.181	35%	0.348	C	S	.	.	H	α-helix	trans	-59.8	-20.7	172.2	-65.1	-177.9	177.6	165	2.8	114.9	H564 T569 G570 E571 S584	H564-R566 PolarHBondContact O-N 3.21Å; H564-R566 VanDerWaalsContact O-N 3.1Å; R566-T569 WeakPolarHBondContact CA-OG1 3.31Å; R566-G570 WeakPolarHBondContact O-CA 3.49Å; R566-G570 PolarHBondContact O-N 2.75Å; R566-G570 VanDerWaalsContact O-N 3.13Å; R566-E571 HydrophobicContact CB-CB 4.45Å; R566-E571 HydrophobicContact CG-CB 4.23Å; R566-E571 PolarHBondContact O-N 3.37Å; R566-S584 WeakPolarHBondContact CD-O 3.31Å; R566-S584 PolarHBondContact NH1-O 3.34Å
567	I	86.6	Confident	87.8	Confident	96 Å²	96	70.5 Å²	70.5	49%	0.492	37%	0.369	S	S	.	.	H	α-helix	trans	-71.6	-35.4	174	-57.4	174.8	0	0	0	110.1	H564 K565	H564-I567 VanDerWaalsContact O-CB 3.23Å; H564-I567 WeakPolarHBondContact O-CB 3.46Å; H564-I567 WeakPolarHBondContact O-CG1 3.31Å; H564-I567 PolarHBondContact O-N 2.99Å; K565-I567 PolarHBondContact O-N 3.49Å
568	H	86.3	Confident	87.9	Confident	88 Å²	88	71.9 Å²	71.9	41%	0.407	39%	0.389	S	S	.	.	H	α-helix	trans	-81.8	-42	178.4	-64	-70.7	0	0	0	112.5	C548 F550 C551 H564 K565 G570	C548-H568 PolarHBondContact SG-NE2 3.21Å; C548-H568 VanDerWaalsContact SG-NE2 3.35Å; F550-H568 HydrophobicContact CB-CB 4.09Å; F550-H568 HydrophobicContact CD1-CB 4.46Å; F550-H568 HydrophobicContact CD2-CB 3.67Å; F550-H568 AromaticContact CD2-CD2 3.92Å; F550-H568 AromaticContact CD2-CG 3.85Å; F550-H568 HydrophobicContact CE2-CB 4.19Å; F550-H568 HydrophobicContact CG-CB 3.83Å; F550-H568 AromaticContact CG-CG 3.81Å; C551-H568 WeakPolarHBondContact CB-CE1 3.31Å; C551-H568 WeakPolarHBondContact CB-NE2 3.15Å; C551-H568 VanDerWaalsContact SG-CE1 3.59Å; C551-H568 PolarHBondContact SG-NE2 3.31Å; H564-H568 AromaticContact CD2-NE2 3.52Å; H564-H568 AromaticContact CE1-NE2 2.89Å; H564-H568 PolarHBondContact CE1-NE2 2.88Å; H564-H568 AromaticContact NE2-CD2 3.72Å; H564-H568 AromaticContact NE2-NE2 2.4Å; H564-H568 PolarHBondContact NE2-NE2 3.37Å; K565-H568 PolarHBondContact O-N 3.25Å; H568-G570 VanDerWaalsContact C-N 3.27Å; H568-G570 PolarHBondContact O-N 3.35Å
569	T	87.3	Confident	88.1	Confident	69 Å²	69	68.7 Å²	68.7	42%	0.423	38%	0.379	S	S	.	.	H	α-helix	trans	-76.5	-13.7	178.1	62.5	0	0	0	0	113.5	K565 R566 E571	K565-T569 PolarHBondContact O-N 2.6Å; R566-T569 WeakPolarHBondContact CA-OG1 3.31Å; T569-E571 PolarHBondContact O-N 3.11Å; T569-E571 WeakPolarHBondContact OG1-CB 3.37Å; T569-E571 WeakPolarHBondContact OG1-CG 3.15Å; T569-E571 PolarHBondContact OG1-N 3.1Å
570	G	85.4	Confident	88.3	Confident	47 Å²	47	67.1 Å²	67.1	49%	0.485	37%	0.373	S	S	.	.			trans	69.7	4.1	-173.8	0	0	0	0	0	114.3	R566 H568 K572	R566-G570 WeakPolarHBondContact O-CA 3.49Å; R566-G570 PolarHBondContact O-N 2.75Å; R566-G570 VanDerWaalsContact O-N 3.13Å; H568-G570 VanDerWaalsContact C-N 3.27Å; H568-G570 PolarHBondContact O-N 3.35Å; G570-K572 PolarHBondContact O-N 3.25Å
571	E	88.1	Confident	88.6	Confident	106 Å²	106	70.1 Å²	70.1	50%	0.495	38%	0.381	S	S	.	.			trans	-59.2	125.5	-177.2	-80.7	175.5	-163.7	0	0	112.4	R566 T569 S584	R566-E571 HydrophobicContact CB-CB 4.45Å; R566-E571 HydrophobicContact CG-CB 4.23Å; R566-E571 PolarHBondContact O-N 3.37Å; T569-E571 PolarHBondContact O-N 3.11Å; T569-E571 WeakPolarHBondContact OG1-CB 3.37Å; T569-E571 WeakPolarHBondContact OG1-CG 3.15Å; T569-E571 PolarHBondContact OG1-N 3.1Å; E571-S584 WeakPolarHBondContact O-CB 3.49Å
572	K	89.5	Confident	88.8	Confident	115 Å²	115	74.4 Å²	74.4	50%	0.5	40%	0.4	S	S	.	.			trans	-127.7	78.1	178.1	-72.9	166.9	171.1	-175.9	0	110.4	G570 Y574 K582 F583	G570-K572 PolarHBondContact O-N 3.25Å; K572-Y574 PolarHBondContact O-N 3.23Å; K572-K582 HydrophobicContact CB-CB 3.55Å; K572-K582 HydrophobicContact CD-CB 4.27Å; K572-K582 WeakPolarHBondContact CD-O 3.48Å; K572-K582 HydrophobicContact CG-CB 4.49Å; K572-F583 CarbonylContact C-O 3.31Å; K572-F583 VanDerWaalsContact CA-O 3.23Å; K572-F583 WeakPolarHBondContact CA-O 3.4Å
573	P	89.7	Confident	88.9	Confident	73 Å²	73	69.8 Å²	69.8	47%	0.474	38%	0.379	S	S	.	.			trans	-70.2	-15	-172.8	-19.4	33.7	0	0	0	114.6
574	Y	91.2	Very high	89	Confident	74 Å²	74	68.6 Å²	68.6	29%	0.29	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	104.2	-172.4	-57.1	-72.6	0	0	0	110.5	K572 K582 F583 S584 L585 K586	K572-Y574 PolarHBondContact O-N 3.23Å; Y574-K582 CarbonylContact O-C 3.53Å; Y574-K582 WeakPolarHBondContact O-CA 3.5Å; Y574-F583 PolarHBondContact N-O 3.39Å; Y574-F583 VanDerWaalsContact N-O 3.11Å; Y574-F583 PolarHBondContact O-N 3.4Å; Y574-S584 WeakPolarHBondContact CE2-O 3.41Å; Y574-L585 VanDerWaalsContact CD2-C 3.43Å; Y574-K586 HydrophobicContact CD1-CB 4.3Å; Y574-K586 HydrophobicContact CD1-CG 4.45Å; Y574-K586 HydrophobicContact CE1-CB 3.98Å; Y574-K586 HydrophobicContact CE1-CG 4.29Å; Y574-K586 HydrophobicContact CE2-CB 4.36Å
575	E	91.2	Very high	89	Confident	82 Å²	82	69.5 Å²	69.5	38%	0.383	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	143.8	-179	-173.7	156.3	-171.6	0	0	112.3	K582 L589	E575-K582 HydrophobicContact CB-CG 4.29Å; E575-K582 VanDerWaalsContact CD-CE 3.43Å; E575-K582 HydrophobicContact CG-CD 4.5Å; E575-K582 HydrophobicContact CG-CG 4.1Å; E575-K582 WeakPolarHBondContact OE1-CE 3.41Å; E575-K582 IonicContact OE1-NZ 2.62Å; E575-K582 WeakPolarHBondContact OE2-CE 3.46Å; E575-K582 IonicContact OE2-NZ 2.97Å; E575-K582 PolarHBondContact OE2-NZ 2.98Å; E575-L589 WeakPolarHBondContact O-CD2 3.23Å
576	C	92.4	Very high	89.1	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	39%	0.391	C	S	.	.			trans	-91.8	109.7	175.1	179.9	0	0	0	0	111.3	G578 C579 G580 K581 F583 L589 H592 Y593 H596	C576-G578 PolarHBondContact O-N 3.46Å; C576-C579 PolarHBondContact O-N 2.75Å; C576-G580 PolarHBondContact O-N 3.45Å; C576-K581 HydrophobicContact CB-CB 4.49Å; C576-K581 WeakPolarHBondContact CB-O 3.49Å; C576-K581 PolarHBondContact N-O 3.04Å; C576-F583 HydrophobicContact CB-CE2 4.33Å; C576-L589 HydrophobicContact CB-CD1 3.61Å; C576-H592 VanDerWaalsContact SG-CD2 3.52Å; C576-Y593 VanDerWaalsContact SG-CE1 3.59Å; C576-H596 PolarHBondContact SG-NE2 3.31Å
577	N	88.8	Confident	88.9	Confident	150 Å²	150	75.1 Å²	75.1	80%	0.802	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-25.6	-179.7	-62.2	3.7	0	0	0	113.2	Y593	N577-Y593 PolarHBondContact N-OH 3.46Å; N577-Y593 VanDerWaalsContact N-OH 3.11Å
578	G	84.6	Confident	89	Confident	53 Å²	53	71.8 Å²	71.8	55%	0.546	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-12.5	177.8	0	0	0	0	0	116.4	C576	C576-G578 PolarHBondContact O-N 3.46Å
579	C	90.7	Very high	89.2	Confident	51 Å²	51	68.5 Å²	68.5	35%	0.345	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160.3	11.6	-179.9	66.8	0	0	0	0	116.8	C576 K581 H592 H596	C576-C579 PolarHBondContact O-N 2.75Å; C579-K581 PolarHBondContact O-N 2.93Å; C579-H592 PolarHBondContact SG-NE2 3.25Å; C579-H596 WeakPolarHBondContact CB-CE1 3.46Å; C579-H596 PolarHBondContact SG-CE1 3.49Å; C579-H596 PolarHBondContact SG-NE2 3.26Å
580	G	89.7	Confident	89.3	Confident	37 Å²	37	69.3 Å²	69.3	38%	0.381	37%	0.37	S	S	.	.			trans	67.7	1.6	179.8	0	0	0	0	0	115.8	C576 K582	C576-G580 PolarHBondContact O-N 3.45Å; G580-K582 WeakPolarHBondContact O-CG 3.43Å; G580-K582 PolarHBondContact O-N 3.18Å
581	K	90.6	Very high	89.4	Confident	122 Å²	122	69.5 Å²	69.5	53%	0.53	36%	0.362	S	S	.	.			trans	-68.4	126.2	179.7	-72.9	179	-176.1	172.5	0	110.6	C576 C579 F583	C576-K581 HydrophobicContact CB-CB 4.49Å; C576-K581 WeakPolarHBondContact CB-O 3.49Å; C576-K581 PolarHBondContact N-O 3.04Å; C579-K581 PolarHBondContact O-N 2.93Å; K581-F583 HydrophobicContact CB-CE2 3.86Å; K581-F583 HydrophobicContact CB-CZ 4Å; K581-F583 WeakPolarHBondContact O-CD2 3.34Å; K581-F583 VanDerWaalsContact O-CE2 3.28Å; K581-F583 WeakPolarHBondContact O-CE2 3.38Å
582	K	92.2	Very high	89.5	Confident	106 Å²	106	65.5 Å²	65.5	46%	0.461	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	141.3	-178	-43.3	-161.6	-170.4	-144.9	0	111.9	K572 Y574 E575 G580	K572-K582 HydrophobicContact CB-CB 3.55Å; K572-K582 HydrophobicContact CD-CB 4.27Å; K572-K582 WeakPolarHBondContact CD-O 3.48Å; K572-K582 HydrophobicContact CG-CB 4.49Å; Y574-K582 CarbonylContact O-C 3.53Å; Y574-K582 WeakPolarHBondContact O-CA 3.5Å; E575-K582 HydrophobicContact CB-CG 4.29Å; E575-K582 VanDerWaalsContact CD-CE 3.43Å; E575-K582 HydrophobicContact CG-CD 4.5Å; E575-K582 HydrophobicContact CG-CG 4.1Å; E575-K582 WeakPolarHBondContact OE1-CE 3.41Å; E575-K582 IonicContact OE1-NZ 2.62Å; E575-K582 WeakPolarHBondContact OE2-CE 3.46Å; E575-K582 IonicContact OE2-NZ 2.97Å; E575-K582 PolarHBondContact OE2-NZ 2.98Å; G580-K582 WeakPolarHBondContact O-CG 3.43Å; G580-K582 PolarHBondContact O-N 3.18Å
583	F	90.3	Very high	89.5	Confident	38 Å²	38	63.8 Å²	63.8	17%	0.167	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	150	-175.9	-59	-87.3	0	0	0	111.3	K572 Y574 C576 K581 Q588 L589 H592	K572-F583 CarbonylContact C-O 3.31Å; K572-F583 VanDerWaalsContact CA-O 3.23Å; K572-F583 WeakPolarHBondContact CA-O 3.4Å; Y574-F583 PolarHBondContact N-O 3.39Å; Y574-F583 VanDerWaalsContact N-O 3.11Å; Y574-F583 PolarHBondContact O-N 3.4Å; C576-F583 HydrophobicContact CB-CE2 4.33Å; K581-F583 HydrophobicContact CB-CE2 3.86Å; K581-F583 HydrophobicContact CB-CZ 4Å; K581-F583 WeakPolarHBondContact O-CD2 3.34Å; K581-F583 VanDerWaalsContact O-CE2 3.28Å; K581-F583 WeakPolarHBondContact O-CE2 3.38Å; F583-Q588 HydrophobicContact CB-CB 4.07Å; F583-Q588 HydrophobicContact CD1-CB 3.77Å; F583-Q588 HydrophobicContact CG-CB 4.16Å; F583-L589 HydrophobicContact CB-CB 4.42Å; F583-L589 HydrophobicContact CD2-CB 4Å; F583-L589 HydrophobicContact CD2-CD1 3.86Å; F583-L589 HydrophobicContact CE2-CD1 4.04Å; F583-L589 HydrophobicContact CG-CB 4.38Å; F583-H592 HydrophobicContact CE1-CB 4.05Å; F583-H592 HydrophobicContact CE2-CB 3.87Å; F583-H592 AromaticContact CE2-CD2 3.42Å; F583-H592 VanDerWaalsContact CE2-CD2 3.42Å; F583-H592 WeakPolarHBondContact CE2-CD2 3.48Å; F583-H592 AromaticContact CE2-CG 3.65Å; F583-H592 HydrophobicContact CZ-CB 3.48Å; F583-H592 VanDerWaalsContact CZ-CB 3.48Å; F583-H592 AromaticContact CZ-CD2 3.48Å; F583-H592 VanDerWaalsContact CZ-CD2 3.48Å; F583-H592 WeakPolarHBondContact CZ-CD2 3.39Å; F583-H592 AromaticContact CZ-CG 3.25Å; F583-H592 AromaticContact CZ-ND1 3.81Å
584	S	88.9	Confident	89.5	Confident	22 Å²	22	63.5 Å²	63.5	15%	0.154	32%	0.323	C	S	.	.	S	Bend	trans	-84.4	-18.6	179.7	55.9	0	0	0	0	113.4	R566 E571 Y574	R566-S584 WeakPolarHBondContact CD-O 3.31Å; R566-S584 PolarHBondContact NH1-O 3.34Å; E571-S584 WeakPolarHBondContact O-CB 3.49Å; Y574-S584 WeakPolarHBondContact CE2-O 3.41Å
585	L	88.5	Confident	89.4	Confident	31 Å²	31	63.1 Å²	63.1	16%	0.162	33%	0.329	C	S	.	.	S	Bend	trans	-133.5	139.7	-177.1	-58.1	174.4	0	0	0	112	Y574 H587 Q588 L589	Y574-L585 VanDerWaalsContact CD2-C 3.43Å; L585-H587 PolarHBondContact O-N 3.03Å; L585-Q588 HydrophobicContact CB-CG 4.15Å; L585-Q588 WeakPolarHBondContact O-CB 3.28Å; L585-Q588 PolarHBondContact O-N 3.18Å; L585-L589 PolarHBondContact O-N 2.81Å
586	K	89	Confident	89.3	Confident	121 Å²	121	63.8 Å²	63.8	53%	0.526	33%	0.332	S	S	.	.	H	α-helix	trans	-56.6	-43.4	-176.1	-167	-172	-176.4	-121.3	0	113.2	Y574 Q588 L589 E590	Y574-K586 HydrophobicContact CD1-CB 4.3Å; Y574-K586 HydrophobicContact CD1-CG 4.45Å; Y574-K586 HydrophobicContact CE1-CB 3.98Å; Y574-K586 HydrophobicContact CE1-CG 4.29Å; Y574-K586 HydrophobicContact CE2-CB 4.36Å; K586-Q588 PolarHBondContact O-N 3.14Å; K586-L589 WeakPolarHBondContact O-CB 3.36Å; K586-L589 PolarHBondContact O-N 3.23Å; K586-E590 VanDerWaalsContact CE-OE1 3.23Å; K586-E590 WeakPolarHBondContact CE-OE1 3.36Å; K586-E590 IonicContact NZ-OE1 3.77Å; K586-E590 PolarHBondContact NZ-OE1 3.16Å; K586-E590 PolarHBondContact O-N 3.32Å
587	H	85.6	Confident	89.1	Confident	96 Å²	96	67.9 Å²	67.9	44%	0.444	36%	0.357	S	S	.	.	H	α-helix	trans	-64.4	-25.1	-180	71.3	-105.4	0	0	0	113.1	L585 T591	L585-H587 PolarHBondContact O-N 3.03Å; H587-T591 WeakPolarHBondContact O-CB 3.49Å; H587-T591 WeakPolarHBondContact O-CG2 3.37Å; H587-T591 PolarHBondContact O-N 3.49Å; H587-T591 PolarHBondContact O-OG1 3.22Å
588	Q	88.7	Confident	88.9	Confident	26 Å²	26	63.1 Å²	63.1	12%	0.121	34%	0.343	C	S	.	.	H	α-helix	trans	-73	-37.5	175	-63.2	179	-12.8	0	0	110.5	F583 L585 K586 T591 H592	F583-Q588 HydrophobicContact CB-CB 4.07Å; F583-Q588 HydrophobicContact CD1-CB 3.77Å; F583-Q588 HydrophobicContact CG-CB 4.16Å; L585-Q588 HydrophobicContact CB-CG 4.15Å; L585-Q588 WeakPolarHBondContact O-CB 3.28Å; L585-Q588 PolarHBondContact O-N 3.18Å; K586-Q588 PolarHBondContact O-N 3.14Å; Q588-T591 WeakPolarHBondContact CA-OG1 3.21Å; Q588-T591 PolarHBondContact O-OG1 3.28Å; Q588-H592 WeakPolarHBondContact O-CB 3.38Å; Q588-H592 PolarHBondContact O-N 3.45Å
589	L	91.5	Very high	89	Confident	19 Å²	19	65.9 Å²	65.9	10%	0.099	34%	0.342	C	S	.	.	H	α-helix	trans	-66.9	-44.2	171.8	176.2	61.2	0	0	0	111.4	E575 C576 F583 L585 K586 H592 Y593	E575-L589 WeakPolarHBondContact O-CD2 3.23Å; C576-L589 HydrophobicContact CB-CD1 3.61Å; F583-L589 HydrophobicContact CB-CB 4.42Å; F583-L589 HydrophobicContact CD2-CB 4Å; F583-L589 HydrophobicContact CD2-CD1 3.86Å; F583-L589 HydrophobicContact CE2-CD1 4.04Å; F583-L589 HydrophobicContact CG-CB 4.38Å; L585-L589 PolarHBondContact O-N 2.81Å; K586-L589 WeakPolarHBondContact O-CB 3.36Å; K586-L589 PolarHBondContact O-N 3.23Å; L589-H592 CarbonylContact O-C 3.57Å; L589-H592 WeakPolarHBondContact O-CB 3.42Å; L589-H592 PolarHBondContact O-N 3.33Å; L589-H592 VanDerWaalsContact O-N 3.16Å; L589-Y593 HydrophobicContact CD1-CD2 3.85Å; L589-Y593 HydrophobicContact CD1-CE2 3.45Å; L589-Y593 VanDerWaalsContact CD1-CE2 3.45Å; L589-Y593 HydrophobicContact CD2-CE2 3.84Å; L589-Y593 HydrophobicContact CG-CD2 3.81Å; L589-Y593 HydrophobicContact CG-CE2 3.47Å; L589-Y593 VanDerWaalsContact CG-CE2 3.47Å; L589-Y593 VanDerWaalsContact O-CD2 3.32Å; L589-Y593 WeakPolarHBondContact O-CD2 3.29Å; L589-Y593 PolarHBondContact O-N 3.41Å
590	E	88.4	Confident	88.9	Confident	87 Å²	87	68.1 Å²	68.1	41%	0.407	35%	0.345	S	S	.	.	H	α-helix	trans	-61.9	-44.2	177.1	-69.7	168.1	177.3	0	0	112.4	K586 H592 Y593	K586-E590 VanDerWaalsContact CE-OE1 3.23Å; K586-E590 WeakPolarHBondContact CE-OE1 3.36Å; K586-E590 IonicContact NZ-OE1 3.77Å; K586-E590 PolarHBondContact NZ-OE1 3.16Å; K586-E590 PolarHBondContact O-N 3.32Å; E590-H592 VanDerWaalsContact C-N 3.3Å; E590-H592 PolarHBondContact O-N 3.43Å; E590-Y593 PolarHBondContact O-N 2.79Å
591	T	87.7	Confident	88.7	Confident	51 Å²	51	69.5 Å²	69.5	31%	0.313	35%	0.348	S	S	.	.	H	α-helix	trans	-70.4	-26.7	174.3	49.1	0	0	0	0	112.6	H587 Q588 D613	H587-T591 WeakPolarHBondContact O-CB 3.49Å; H587-T591 WeakPolarHBondContact O-CG2 3.37Å; H587-T591 PolarHBondContact O-N 3.49Å; H587-T591 PolarHBondContact O-OG1 3.22Å; Q588-T591 WeakPolarHBondContact CA-OG1 3.21Å; Q588-T591 PolarHBondContact O-OG1 3.28Å; T591-D613 HydrophobicContact CG2-CB 4.36Å
592	H	90.8	Very high	88.5	Confident	21 Å²	21	66.8 Å²	66.8	10%	0.097	34%	0.336	C	S	.	.	H	α-helix	trans	-73.1	-36.6	171.6	176.4	61.5	0	0	0	113.1	C576 C579 F583 Q588 L589 E590 R594 V595 H596	C576-H592 VanDerWaalsContact SG-CD2 3.52Å; C579-H592 PolarHBondContact SG-NE2 3.25Å; F583-H592 HydrophobicContact CE1-CB 4.05Å; F583-H592 HydrophobicContact CE2-CB 3.87Å; F583-H592 AromaticContact CE2-CD2 3.42Å; F583-H592 VanDerWaalsContact CE2-CD2 3.42Å; F583-H592 WeakPolarHBondContact CE2-CD2 3.48Å; F583-H592 AromaticContact CE2-CG 3.65Å; F583-H592 HydrophobicContact CZ-CB 3.48Å; F583-H592 VanDerWaalsContact CZ-CB 3.48Å; F583-H592 AromaticContact CZ-CD2 3.48Å; F583-H592 VanDerWaalsContact CZ-CD2 3.48Å; F583-H592 WeakPolarHBondContact CZ-CD2 3.39Å; F583-H592 AromaticContact CZ-CG 3.25Å; F583-H592 AromaticContact CZ-ND1 3.81Å; Q588-H592 WeakPolarHBondContact O-CB 3.38Å; Q588-H592 PolarHBondContact O-N 3.45Å; L589-H592 CarbonylContact O-C 3.57Å; L589-H592 WeakPolarHBondContact O-CB 3.42Å; L589-H592 PolarHBondContact O-N 3.33Å; L589-H592 VanDerWaalsContact O-N 3.16Å; E590-H592 VanDerWaalsContact C-N 3.3Å; E590-H592 PolarHBondContact O-N 3.43Å; H592-R594 PolarHBondContact O-N 2.89Å; H592-V595 WeakPolarHBondContact O-CA 3.36Å; H592-V595 WeakPolarHBondContact O-CB 3.49Å; H592-V595 VanDerWaalsContact O-CG2 3.31Å; H592-V595 WeakPolarHBondContact O-CG2 3.35Å; H592-V595 PolarHBondContact O-N 3.27Å; H592-H596 AromaticContact CD2-NE2 3.26Å; H592-H596 PolarHBondContact CD2-NE2 3.05Å; H592-H596 VanDerWaalsContact CD2-NE2 3.26Å; H592-H596 AromaticContact CE1-NE2 3.07Å; H592-H596 PolarHBondContact CE1-NE2 2.78Å; H592-H596 AromaticContact NE2-CD2 3.92Å; H592-H596 AromaticContact NE2-NE2 2.34Å; H592-H596 PolarHBondContact NE2-NE2 2.93Å
593	Y	89.1	Confident	88.2	Confident	79 Å²	79	65.7 Å²	65.7	31%	0.31	33%	0.333	S	S	.	.	H	α-helix	trans	-57.9	-31.6	176.3	-87.2	-61.1	0	0	0	112.5	C576 N577 L589 E590 V595 H596 T597	C576-Y593 VanDerWaalsContact SG-CE1 3.59Å; N577-Y593 PolarHBondContact N-OH 3.46Å; N577-Y593 VanDerWaalsContact N-OH 3.11Å; L589-Y593 HydrophobicContact CD1-CD2 3.85Å; L589-Y593 HydrophobicContact CD1-CE2 3.45Å; L589-Y593 VanDerWaalsContact CD1-CE2 3.45Å; L589-Y593 HydrophobicContact CD2-CE2 3.84Å; L589-Y593 HydrophobicContact CG-CD2 3.81Å; L589-Y593 HydrophobicContact CG-CE2 3.47Å; L589-Y593 VanDerWaalsContact CG-CE2 3.47Å; L589-Y593 VanDerWaalsContact O-CD2 3.32Å; L589-Y593 WeakPolarHBondContact O-CD2 3.29Å; L589-Y593 PolarHBondContact O-N 3.41Å; E590-Y593 PolarHBondContact O-N 2.79Å; Y593-V595 PolarHBondContact O-N 2.95Å; Y593-V595 VanDerWaalsContact O-N 3.12Å; Y593-H596 WeakPolarHBondContact O-CB 3.43Å; Y593-H596 PolarHBondContact O-N 2.59Å; Y593-T597 PolarHBondContact O-N 2.79Å; Y593-T597 VanDerWaalsContact O-N 3.15Å
594	R	90	Very high	87.7	Confident	67 Å²	67	64 Å²	64	25%	0.253	33%	0.325	S	S	.	.	H	α-helix	trans	-62.4	-13.7	171.7	-61.3	179.6	-174.5	167.1	2	114.8	H592 T597 G598 E599 R612	H592-R594 PolarHBondContact O-N 2.89Å; R594-T597 WeakPolarHBondContact CA-OG1 3.13Å; R594-G598 PolarHBondContact O-N 3.07Å; R594-E599 HydrophobicContact CB-CB 4.42Å; R594-E599 HydrophobicContact CG-CB 4.31Å; R594-E599 PolarHBondContact O-N 3.42Å; R594-R612 HydrophobicContact CB-CB 4.36Å; R594-R612 VanDerWaalsContact CD-O 3.28Å; R594-R612 WeakPolarHBondContact CD-O 3.31Å; R594-R612 PolarHBondContact NH1-O 2.66Å
595	V	88.9	Confident	87.3	Confident	66 Å²	66	72.3 Å²	72.3	40%	0.4	36%	0.359	S	S	.	.	H	α-helix	trans	-74.4	-33.9	170.3	-176.9	0	0	0	0	110.9	H592 Y593	H592-V595 WeakPolarHBondContact O-CA 3.36Å; H592-V595 WeakPolarHBondContact O-CB 3.49Å; H592-V595 VanDerWaalsContact O-CG2 3.31Å; H592-V595 WeakPolarHBondContact O-CG2 3.35Å; H592-V595 PolarHBondContact O-N 3.27Å; Y593-V595 PolarHBondContact O-N 2.95Å; Y593-V595 VanDerWaalsContact O-N 3.12Å
596	H	88.8	Confident	86.7	Confident	97 Å²	97	76.1 Å²	76.1	45%	0.449	38%	0.379	S	S	.	.	H	α-helix	trans	-81.9	-40.5	178.7	-63.7	-67.4	0	0	0	112.3	C576 C579 H592 Y593 G598	C576-H596 PolarHBondContact SG-NE2 3.31Å; C579-H596 WeakPolarHBondContact CB-CE1 3.46Å; C579-H596 PolarHBondContact SG-CE1 3.49Å; C579-H596 PolarHBondContact SG-NE2 3.26Å; H592-H596 AromaticContact CD2-NE2 3.26Å; H592-H596 PolarHBondContact CD2-NE2 3.05Å; H592-H596 VanDerWaalsContact CD2-NE2 3.26Å; H592-H596 AromaticContact CE1-NE2 3.07Å; H592-H596 PolarHBondContact CE1-NE2 2.78Å; H592-H596 AromaticContact NE2-CD2 3.92Å; H592-H596 AromaticContact NE2-NE2 2.34Å; H592-H596 PolarHBondContact NE2-NE2 2.93Å; Y593-H596 WeakPolarHBondContact O-CB 3.43Å; Y593-H596 PolarHBondContact O-N 2.59Å; H596-G598 VanDerWaalsContact C-N 3.31Å
597	T	87.8	Confident	86.4	Confident	86 Å²	86	72.9 Å²	72.9	53%	0.528	37%	0.37	S	S	.	.	H	α-helix	trans	-77.9	-15.3	177.4	62.1	0	0	0	0	113.5	Y593 R594 E599	Y593-T597 PolarHBondContact O-N 2.79Å; Y593-T597 VanDerWaalsContact O-N 3.15Å; R594-T597 WeakPolarHBondContact CA-OG1 3.13Å; T597-E599 PolarHBondContact O-N 3.01Å; T597-E599 WeakPolarHBondContact OG1-CB 3.47Å; T597-E599 WeakPolarHBondContact OG1-CG 3.23Å; T597-E599 PolarHBondContact OG1-N 3.21Å
598	G	85.8	Confident	86.3	Confident	49 Å²	49	74.2 Å²	74.2	51%	0.505	38%	0.377	S	S	.	.			trans	73.6	-0.3	-173.4	0	0	0	0	0	114.6	R594 H596 K600	R594-G598 PolarHBondContact O-N 3.07Å; H596-G598 VanDerWaalsContact C-N 3.31Å; G598-K600 PolarHBondContact O-N 2.72Å
599	E	86.3	Confident	86	Confident	112 Å²	112	78.6 Å²	78.6	52%	0.523	40%	0.397	S	S	.	.			trans	-60.1	123.9	-175.6	-76	174.9	175.3	0	0	113	R594 T597 P601	R594-E599 HydrophobicContact CB-CB 4.42Å; R594-E599 HydrophobicContact CG-CB 4.31Å; R594-E599 PolarHBondContact O-N 3.42Å; T597-E599 PolarHBondContact O-N 3.01Å; T597-E599 WeakPolarHBondContact OG1-CB 3.47Å; T597-E599 WeakPolarHBondContact OG1-CG 3.23Å; T597-E599 PolarHBondContact OG1-N 3.21Å; E599-P601 WeakPolarHBondContact O-CD 3.32Å
600	K	87.6	Confident	85.9	Confident	97 Å²	97	83.2 Å²	83.2	42%	0.422	41%	0.413	S	S	.	.			trans	-120.2	82.3	173.8	-66.8	167.9	171.1	-171.3	0	109.1	G598 F602 R610 S611 R612	G598-K600 PolarHBondContact O-N 2.72Å; K600-F602 VanDerWaalsContact C-N 3.34Å; K600-F602 PolarHBondContact O-N 3.43Å; K600-R610 HydrophobicContact CB-CB 3.48Å; K600-R610 VanDerWaalsContact CB-CB 3.48Å; K600-R610 HydrophobicContact CD-CB 3.99Å; K600-R610 WeakPolarHBondContact CD-O 3.46Å; K600-R610 HydrophobicContact CG-CB 4.35Å; K600-R610 PolarHBondContact O-NE 2.95Å; K600-R610 PolarHBondContact O-NH2 2.8Å; K600-S611 CarbonylContact C-O 3.22Å; K600-S611 VanDerWaalsContact C-O 3.31Å; K600-S611 VanDerWaalsContact CA-O 3.23Å; K600-S611 WeakPolarHBondContact CA-O 3.33Å; K600-R612 HydrophobicContact CG-CG 3.86Å
601	P	86.1	Confident	85.7	Confident	66 Å²	66	79.7 Å²	79.7	43%	0.429	40%	0.398	S	S	.	.			trans	-73.3	-24.5	-171.3	27.5	-34	0	0	0	113.3	E599 S611	E599-P601 WeakPolarHBondContact O-CD 3.32Å; P601-S611 WeakPolarHBondContact CD-O 3.45Å
602	F	86	Confident	85.7	Confident	66 Å²	66	82.7 Å²	82.7	29%	0.289	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	125.5	177.4	-53	-79.3	0	0	0	109.3	K600 R610 S611 D613 Y614 M617	K600-F602 VanDerWaalsContact C-N 3.34Å; K600-F602 PolarHBondContact O-N 3.43Å; F602-R610 CarbonylContact O-C 3.52Å; F602-R610 WeakPolarHBondContact O-CA 3.3Å; F602-S611 PolarHBondContact N-O 3.06Å; F602-S611 PolarHBondContact O-N 2.34Å; F602-D613 VanDerWaalsContact CD2-C 3.42Å; F602-D613 VanDerWaalsContact CE2-C 3.47Å; F602-Y614 HydrophobicContact CD1-CD2 4.21Å; F602-Y614 HydrophobicContact CE1-CD2 4.02Å; F602-Y614 VanDerWaalsContact CE2-N 3.34Å; F602-M617 VanDerWaalsContact C-CE 3.41Å; F602-M617 HydrophobicContact CB-CB 4.15Å; F602-M617 HydrophobicContact CB-CE 3.71Å; F602-M617 HydrophobicContact CB-CG 4.34Å; F602-M617 VanDerWaalsContact O-CE 3.26Å; F602-M617 WeakPolarHBondContact O-CE 3.28Å
603	E	86.3	Confident	85.4	Confident	83 Å²	83	84.1 Å²	84.1	39%	0.388	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.1	174.9	-178.9	174.6	150.3	0	0	110.7	H608 R610	E603-H608 IonicContact OE1-CE1 3.86Å; E603-H608 IonicContact OE1-CG 3.68Å; E603-H608 IonicContact OE1-ND1 3.97Å; E603-H608 PolarHBondContact OE1-ND1 2.93Å; E603-R610 HydrophobicContact CB-CG 4.22Å; E603-R610 HydrophobicContact CG-CG 4.14Å; E603-R610 IonicContact OE2-CZ 3.85Å; E603-R610 IonicContact OE2-NH1 3.81Å; E603-R610 PolarHBondContact OE2-NH1 3.26Å
604	C	80.5	Confident	84.8	Confident	1 Å²	1	87.2 Å²	87.2	1%	0.007	42%	0.424	C	S	.	.			trans	-80	118.8	173	-176	0	0	0	0	110.3	L606 C607 H608 Q609 M617 H620 H624	C604-L606 PolarHBondContact O-N 3.16Å; C604-L606 VanDerWaalsContact O-N 3.13Å; C604-C607 PolarHBondContact O-N 3.49Å; C604-H608 WeakPolarHBondContact O-CA 2.99Å; C604-H608 PolarHBondContact O-N 3.04Å; C604-Q609 WeakPolarHBondContact CB-O 3.43Å; C604-Q609 PolarHBondContact N-O 2.91Å; C604-M617 HydrophobicContact CB-CE 4.21Å; C604-M617 HydrophobicContact CB-SD 3.88Å; C604-H620 VanDerWaalsContact CB-NE2 3.33Å; C604-H620 WeakPolarHBondContact CB-NE2 3.37Å; C604-H620 PolarHBondContact SG-NE2 3.22Å; C604-H620 VanDerWaalsContact SG-NE2 3.43Å; C604-H624 PolarHBondContact SG-CD2 2.82Å; C604-H624 PolarHBondContact SG-NE2 2.79Å
605	K	80.8	Confident	84.3	Confident	197 Å²	197	87.4 Å²	87.4	86%	0.857	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.6	177.4	-65.6	-171.3	175.4	-172.4	0	114.6
606	L	76	Confident	84.1	Confident	112 Å²	112	85.9 Å²	85.9	59%	0.586	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-26.9	-175.1	-60.2	175.5	0	0	0	113.7	C604 H624	C604-L606 PolarHBondContact O-N 3.16Å; C604-L606 VanDerWaalsContact O-N 3.13Å; L606-H624 HydrophobicContact CD1-CB 3.53Å
607	C	82	Confident	83.8	Confident	52 Å²	52	81.9 Å²	81.9	35%	0.351	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.7	16.6	179.5	77.9	0	0	0	0	114.5	C604 Q609 H620 H624	C604-C607 PolarHBondContact O-N 3.49Å; C607-Q609 PolarHBondContact O-N 2.83Å; C607-Q609 WeakPolarHBondContact SG-CG 3.39Å; C607-H620 PolarHBondContact SG-CE1 3.07Å; C607-H620 PolarHBondContact SG-NE2 2.87Å; C607-H620 VanDerWaalsContact SG-NE2 3.35Å; C607-H624 PolarHBondContact SG-CE1 3.08Å; C607-H624 PolarHBondContact SG-NE2 3.31Å
608	H	83	Confident	83.2	Confident	125 Å²	125	80.2 Å²	80.2	58%	0.579	40%	0.4	S	S	*	.			trans	56.5	13	177.1	-54	-72.7	0	0	0	116	E603 C604 R610	E603-H608 IonicContact OE1-CE1 3.86Å; E603-H608 IonicContact OE1-CG 3.68Å; E603-H608 IonicContact OE1-ND1 3.97Å; E603-H608 PolarHBondContact OE1-ND1 2.93Å; C604-H608 WeakPolarHBondContact O-CA 2.99Å; C604-H608 PolarHBondContact O-N 3.04Å; H608-R610 WeakPolarHBondContact O-CG 3.47Å; H608-R610 PolarHBondContact O-N 2.7Å
609	Q	83.4	Confident	82.5	Confident	117 Å²	117	83.3 Å²	83.3	55%	0.547	40%	0.399	S	S	.	.			trans	-68.3	131.4	174	-78.6	-69.3	-7.5	0	0	110.1	C604 C607	C604-Q609 WeakPolarHBondContact CB-O 3.43Å; C604-Q609 PolarHBondContact N-O 2.91Å; C607-Q609 PolarHBondContact O-N 2.83Å; C607-Q609 WeakPolarHBondContact SG-CG 3.39Å
610	R	88.1	Confident	82.1	Confident	116 Å²	116	79.9 Å²	79.9	44%	0.438	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	138.4	-174.2	-48.9	-173.1	65.8	116.3	-1.1	111.9	K600 F602 E603 H608	K600-R610 HydrophobicContact CB-CB 3.48Å; K600-R610 VanDerWaalsContact CB-CB 3.48Å; K600-R610 HydrophobicContact CD-CB 3.99Å; K600-R610 WeakPolarHBondContact CD-O 3.46Å; K600-R610 HydrophobicContact CG-CB 4.35Å; K600-R610 PolarHBondContact O-NE 2.95Å; K600-R610 PolarHBondContact O-NH2 2.8Å; F602-R610 CarbonylContact O-C 3.52Å; F602-R610 WeakPolarHBondContact O-CA 3.3Å; E603-R610 HydrophobicContact CB-CG 4.22Å; E603-R610 HydrophobicContact CG-CG 4.14Å; E603-R610 IonicContact OE2-CZ 3.85Å; E603-R610 IonicContact OE2-NH1 3.81Å; E603-R610 PolarHBondContact OE2-NH1 3.26Å; H608-R610 WeakPolarHBondContact O-CG 3.47Å; H608-R610 PolarHBondContact O-N 2.7Å
611	S	84.7	Confident	81.3	Confident	13 Å²	13	77.9 Å²	77.9	9%	0.091	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	154.8	176.8	77.3	0	0	0	0	113.1	K600 P601 F602 D613 M617	K600-S611 CarbonylContact C-O 3.22Å; K600-S611 VanDerWaalsContact C-O 3.31Å; K600-S611 VanDerWaalsContact CA-O 3.23Å; K600-S611 WeakPolarHBondContact CA-O 3.33Å; P601-S611 WeakPolarHBondContact CD-O 3.45Å; F602-S611 PolarHBondContact N-O 3.06Å; F602-S611 PolarHBondContact O-N 2.34Å; S611-D613 PolarHBondContact OG-O 3.2Å; S611-M617 WeakPolarHBondContact OG-CB 3.48Å; S611-M617 PolarHBondContact OG-N 3.17Å
612	R	87.1	Confident	80.6	Confident	114 Å²	114	77.9 Å²	77.9	43%	0.43	37%	0.368	S	S	.	.	S	Bend	trans	-78.5	-33.4	-179.9	-65.1	179.9	-72.3	-150	-2.7	112.3	R594 K600	R594-R612 HydrophobicContact CB-CB 4.36Å; R594-R612 VanDerWaalsContact CD-O 3.28Å; R594-R612 WeakPolarHBondContact CD-O 3.31Å; R594-R612 PolarHBondContact NH1-O 2.66Å; K600-R612 HydrophobicContact CG-CG 3.86Å
613	D	84.5	Confident	79.9	Confident	51 Å²	51	78.8 Å²	78.8	27%	0.273	38%	0.379	S	S	.	.	S	Bend	trans	-128.5	158.6	-179.6	73.1	-49.4	0	0	0	111.7	T591 F602 S611 S615 A616 M617	T591-D613 HydrophobicContact CG2-CB 4.36Å; F602-D613 VanDerWaalsContact CD2-C 3.42Å; F602-D613 VanDerWaalsContact CE2-C 3.47Å; S611-D613 PolarHBondContact OG-O 3.2Å; D613-S615 VanDerWaalsContact C-N 3.32Å; D613-S615 PolarHBondContact O-N 3.24Å; D613-S615 WeakPolarHBondContact OD2-CB 3.36Å; D613-S615 PolarHBondContact OD2-N 3.09Å; D613-A616 PolarHBondContact O-N 3.38Å; D613-A616 WeakPolarHBondContact OD1-CB 2.96Å; D613-A616 PolarHBondContact OD1-N 3.18Å; D613-A616 PolarHBondContact OD2-N 3.31Å; D613-M617 PolarHBondContact O-N 3.01Å
614	Y	77.9	Confident	79	Confident	144 Å²	144	78 Å²	78	57%	0.565	38%	0.375	S	S	*	.	H	α-helix	trans	-66.5	-33.3	179	-174.4	-101.8	0	0	0	111.9	F602 A616 M617 I618	F602-Y614 HydrophobicContact CD1-CD2 4.21Å; F602-Y614 HydrophobicContact CE1-CD2 4.02Å; F602-Y614 VanDerWaalsContact CE2-N 3.34Å; Y614-A616 VanDerWaalsContact C-N 3.35Å; Y614-A616 PolarHBondContact O-N 3.11Å; Y614-M617 WeakPolarHBondContact O-CA 3.37Å; Y614-M617 WeakPolarHBondContact O-CB 3.37Å; Y614-M617 PolarHBondContact O-N 3.11Å; Y614-M617 VanDerWaalsContact O-N 3.07Å; Y614-I618 HydrophobicContact CD1-CG1 3.85Å; Y614-I618 HydrophobicContact CE1-CD1 3.83Å; Y614-I618 HydrophobicContact CE1-CG1 3.49Å; Y614-I618 VanDerWaalsContact CE1-CG1 3.49Å; Y614-I618 HydrophobicContact CE2-CD1 4.26Å; Y614-I618 HydrophobicContact CE2-CG1 4.49Å; Y614-I618 HydrophobicContact CG-CG1 4.5Å; Y614-I618 PolarHBondContact O-N 3.13Å
615	S	79.7	Confident	78.1	Confident	71 Å²	71	83.5 Å²	83.5	50%	0.497	41%	0.405	S	S	.	.	H	α-helix	trans	-67.1	-34.4	-179.4	-47.5	0	0	0	0	112.5	D613 K619	D613-S615 VanDerWaalsContact C-N 3.32Å; D613-S615 PolarHBondContact O-N 3.24Å; D613-S615 WeakPolarHBondContact OD2-CB 3.36Å; D613-S615 PolarHBondContact OD2-N 3.09Å; S615-K619 VanDerWaalsContact O-CG 3.26Å; S615-K619 WeakPolarHBondContact O-CG 2.97Å; S615-K619 PolarHBondContact O-N 3.34Å; S615-K619 VanDerWaalsContact O-N 3.16Å
616	A	83.1	Confident	76.9	Confident	35 Å²	35	77 Å²	77	29%	0.289	39%	0.393	S	S	.	.	H	α-helix	trans	-70.9	-35.2	169.6	0	0	0	0	0	112.4	D613 Y614 K619 H620	D613-A616 PolarHBondContact O-N 3.38Å; D613-A616 WeakPolarHBondContact OD1-CB 2.96Å; D613-A616 PolarHBondContact OD1-N 3.18Å; D613-A616 PolarHBondContact OD2-N 3.31Å; Y614-A616 VanDerWaalsContact C-N 3.35Å; Y614-A616 PolarHBondContact O-N 3.11Å; A616-K619 PolarHBondContact O-N 3.28Å; A616-H620 WeakPolarHBondContact O-CB 3.42Å; A616-H620 PolarHBondContact O-N 2.96Å
617	M	82.2	Confident	75.9	Confident	12 Å²	12	74.3 Å²	74.3	6%	0.059	39%	0.387	C	S	.	.	H	α-helix	trans	-60.5	-49.3	173.6	-175.8	51.5	65.8	0	0	111	F602 C604 S611 D613 Y614 K619 H620 L621	F602-M617 VanDerWaalsContact C-CE 3.41Å; F602-M617 HydrophobicContact CB-CB 4.15Å; F602-M617 HydrophobicContact CB-CE 3.71Å; F602-M617 HydrophobicContact CB-CG 4.34Å; F602-M617 VanDerWaalsContact O-CE 3.26Å; F602-M617 WeakPolarHBondContact O-CE 3.28Å; C604-M617 HydrophobicContact CB-CE 4.21Å; C604-M617 HydrophobicContact CB-SD 3.88Å; S611-M617 WeakPolarHBondContact OG-CB 3.48Å; S611-M617 PolarHBondContact OG-N 3.17Å; D613-M617 PolarHBondContact O-N 3.01Å; Y614-M617 WeakPolarHBondContact O-CA 3.37Å; Y614-M617 WeakPolarHBondContact O-CB 3.37Å; Y614-M617 PolarHBondContact O-N 3.11Å; Y614-M617 VanDerWaalsContact O-N 3.07Å; M617-K619 VanDerWaalsContact C-N 3.35Å; M617-K619 PolarHBondContact O-N 2.91Å; M617-H620 CarbonylContact O-C 3.48Å; M617-H620 WeakPolarHBondContact O-CB 3.47Å; M617-H620 PolarHBondContact O-N 2.71Å; M617-H620 VanDerWaalsContact O-N 3.09Å; M617-L621 HydrophobicContact CG-CD1 3.92Å; M617-L621 HydrophobicContact CG-CG 4.27Å; M617-L621 WeakPolarHBondContact O-CG 3.41Å; M617-L621 PolarHBondContact O-N 3.12Å; M617-L621 HydrophobicContact SD-CD1 4.29Å; M617-L621 HydrophobicContact SD-CD2 4.46Å; M617-L621 HydrophobicContact SD-CG 4.06Å
618	I	75	Confident	74.7	Confident	52 Å²	52	72.4 Å²	72.4	27%	0.267	38%	0.375	S	S	.	.	H	α-helix	trans	-61	-41.8	177.7	-64.9	-55	0	0	0	111.9	Y614 H620 L621 R622	Y614-I618 HydrophobicContact CD1-CG1 3.85Å; Y614-I618 HydrophobicContact CE1-CD1 3.83Å; Y614-I618 HydrophobicContact CE1-CG1 3.49Å; Y614-I618 VanDerWaalsContact CE1-CG1 3.49Å; Y614-I618 HydrophobicContact CE2-CD1 4.26Å; Y614-I618 HydrophobicContact CE2-CG1 4.49Å; Y614-I618 HydrophobicContact CG-CG1 4.5Å; Y614-I618 PolarHBondContact O-N 3.13Å; I618-H620 VanDerWaalsContact C-N 3.27Å; I618-H620 PolarHBondContact O-N 3Å; I618-L621 HydrophobicContact CD1-CD1 4.16Å; I618-L621 PolarHBondContact O-N 3.46Å; I618-R622 WeakPolarHBondContact O-CG 3.31Å; I618-R622 PolarHBondContact O-N 3.49Å
619	K	72.7	Confident	73.6	Confident	113 Å²	113	69.6 Å²	69.6	49%	0.491	37%	0.367	S	S	.	.	H	α-helix	trans	-61.7	-35.7	174.7	-73.8	169.5	-174.3	175.5	0	112.4	S615 A616 M617	S615-K619 VanDerWaalsContact O-CG 3.26Å; S615-K619 WeakPolarHBondContact O-CG 2.97Å; S615-K619 PolarHBondContact O-N 3.34Å; S615-K619 VanDerWaalsContact O-N 3.16Å; A616-K619 PolarHBondContact O-N 3.28Å; M617-K619 VanDerWaalsContact C-N 3.35Å; M617-K619 PolarHBondContact O-N 2.91Å
620	H	78.2	Confident	72.6	Confident	41 Å²	41	66 Å²	66	19%	0.19	35%	0.349	C	S	.	.	H	α-helix	trans	-75	-39.3	176.2	170.6	55.3	0	0	0	112.5	C604 C607 A616 M617 I618 R622 T623 H624	C604-H620 VanDerWaalsContact CB-NE2 3.33Å; C604-H620 WeakPolarHBondContact CB-NE2 3.37Å; C604-H620 PolarHBondContact SG-NE2 3.22Å; C604-H620 VanDerWaalsContact SG-NE2 3.43Å; C607-H620 PolarHBondContact SG-CE1 3.07Å; C607-H620 PolarHBondContact SG-NE2 2.87Å; C607-H620 VanDerWaalsContact SG-NE2 3.35Å; A616-H620 WeakPolarHBondContact O-CB 3.42Å; A616-H620 PolarHBondContact O-N 2.96Å; M617-H620 CarbonylContact O-C 3.48Å; M617-H620 WeakPolarHBondContact O-CB 3.47Å; M617-H620 PolarHBondContact O-N 2.71Å; M617-H620 VanDerWaalsContact O-N 3.09Å; I618-H620 VanDerWaalsContact C-N 3.27Å; I618-H620 PolarHBondContact O-N 3Å; H620-R622 PolarHBondContact O-N 3.49Å; H620-T623 PolarHBondContact O-N 3.01Å; H620-T623 PolarHBondContact O-OG1 3.3Å; H620-H624 AromaticContact CE1-CD2 3.91Å; H620-H624 AromaticContact CE1-CE1 3.89Å; H620-H624 AromaticContact CE1-NE2 3.14Å; H620-H624 PolarHBondContact CE1-NE2 2.88Å; H620-H624 AromaticContact NE2-CD2 3.78Å; H620-H624 AromaticContact NE2-NE2 3.06Å; H620-H624 PolarHBondContact NE2-NE2 3.05Å
621	L	70.8	Confident	71.7	Confident	55 Å²	55	65.1 Å²	65.1	29%	0.288	35%	0.35	S	S	.	.	H	α-helix	trans	-60.4	-30.2	175.7	-71.5	168.8	0	0	0	112.4	M617 I618 T623 H624 N625	M617-L621 HydrophobicContact CG-CD1 3.92Å; M617-L621 HydrophobicContact CG-CG 4.27Å; M617-L621 WeakPolarHBondContact O-CG 3.41Å; M617-L621 PolarHBondContact O-N 3.12Å; M617-L621 HydrophobicContact SD-CD1 4.29Å; M617-L621 HydrophobicContact SD-CD2 4.46Å; M617-L621 HydrophobicContact SD-CG 4.06Å; I618-L621 HydrophobicContact CD1-CD1 4.16Å; I618-L621 PolarHBondContact O-N 3.46Å; L621-T623 PolarHBondContact O-N 3.36Å; L621-H624 PolarHBondContact O-N 3.43Å; L621-N625 PolarHBondContact O-N 2.81Å
622	R	70.8	Confident	71.1	Confident	66 Å²	66	64.6 Å²	64.6	25%	0.249	35%	0.346	C	S	.	.	H	α-helix	trans	-63.9	-22.8	171.1	-66.4	178	-167.8	151.4	2.8	114.3	I618 H620 A627	I618-R622 WeakPolarHBondContact O-CG 3.31Å; I618-R622 PolarHBondContact O-N 3.49Å; H620-R622 PolarHBondContact O-N 3.49Å; R622-A627 WeakPolarHBondContact CG-O 3.14Å
623	T	71.6	Confident	70.2	Confident	85 Å²	85	64.7 Å²	64.7	52%	0.521	36%	0.36	S	S	.	.	H	α-helix	trans	-79.6	-19.1	176.1	69.1	0	0	0	0	112.7	H620 L621 P640	H620-T623 PolarHBondContact O-N 3.01Å; H620-T623 PolarHBondContact O-OG1 3.3Å; L621-T623 PolarHBondContact O-N 3.36Å; T623-P640 HydrophobicContact CG2-CB 4.28Å
624	H	66.5	Low	69.7	Low	66 Å²	66	64.7 Å²	64.7	31%	0.306	36%	0.359	S	S	.	.	H	α-helix	trans	-82.4	-48.9	173	-69.2	-58.4	0	0	0	111.9	C604 L606 C607 H620 L621 G626	C604-H624 PolarHBondContact SG-CD2 2.82Å; C604-H624 PolarHBondContact SG-NE2 2.79Å; L606-H624 HydrophobicContact CD1-CB 3.53Å; C607-H624 PolarHBondContact SG-CE1 3.08Å; C607-H624 PolarHBondContact SG-NE2 3.31Å; H620-H624 AromaticContact CE1-CD2 3.91Å; H620-H624 AromaticContact CE1-CE1 3.89Å; H620-H624 AromaticContact CE1-NE2 3.14Å; H620-H624 PolarHBondContact CE1-NE2 2.88Å; H620-H624 AromaticContact NE2-CD2 3.78Å; H620-H624 AromaticContact NE2-NE2 3.06Å; H620-H624 PolarHBondContact NE2-NE2 3.05Å; L621-H624 PolarHBondContact O-N 3.43Å; H624-G626 PolarHBondContact O-N 3.04Å
625	N	61.3	Low	69.7	Low	117 Å²	117	60.1 Å²	60.1	63%	0.626	35%	0.348	S	S	*	.	S	Bend	trans	-80.4	-1	-170.2	-64.2	15.9	0	0	0	113.5	L621 A627	L621-N625 PolarHBondContact O-N 2.81Å; N625-A627 HydrophobicContact CB-CB 3.87Å; N625-A627 PolarHBondContact O-N 3.02Å
626	G	56.3	Low	69.3	Low	59 Å²	59	61 Å²	61	61%	0.608	35%	0.35	S	S	*	.			trans	61	1.3	-166	0	0	0	0	0	114.3	H624 S628	H624-G626 PolarHBondContact O-N 3.04Å; G626-S628 PolarHBondContact O-N 3.27Å
627	A	54.2	Low	68.8	Low	56 Å²	56	64.9 Å²	64.9	46%	0.463	36%	0.362	S	S	.	.			trans	-75.3	64.8	-172.7	0	0	0	0	0	111.6	R622 N625 P629	R622-A627 WeakPolarHBondContact CG-O 3.14Å; N625-A627 HydrophobicContact CB-CB 3.87Å; N625-A627 PolarHBondContact O-N 3.02Å; A627-P629 WeakPolarHBondContact O-CD 3.45Å
628	S	57	Low	68.2	Low	13 Å²	13	70.7 Å²	70.7	9%	0.091	38%	0.384	C	S	.	.			trans	-87.4	107.3	168.3	167.8	0	0	0	0	108.7	G626 Y630 Y638 C639	G626-S628 PolarHBondContact O-N 3.27Å; S628-Y630 PolarHBondContact O-N 3.28Å; S628-Y630 VanDerWaalsContact O-N 3.1Å; S628-Y630 PolarHBondContact OG-O 3.38Å; S628-Y638 WeakPolarHBondContact O-CD1 3.32Å; S628-C639 PolarHBondContact OG-N 3.02Å; S628-C639 PolarHBondContact OG-O 2.91Å
629	P	60.8	Low	67.8	Low	66 Å²	66	68.7 Å²	68.7	43%	0.429	38%	0.375	S	S	.	.	S	Bend	trans	-78.2	10.6	178.1	35.8	-37.7	0	0	0	112.5	A627 L668	A627-P629 WeakPolarHBondContact O-CD 3.45Å; P629-L668 HydrophobicContact CB-CD2 3.8Å; P629-L668 HydrophobicContact CG-CD2 4.11Å
630	Y	62.7	Low	67.4	Low	40 Å²	40	65.5 Å²	65.5	16%	0.157	37%	0.366	C	S	.	.			trans	-118.9	98.7	179.4	-45.5	-75.5	0	0	0	108.7	S628 C639 L642 M645 L668	S628-Y630 PolarHBondContact O-N 3.28Å; S628-Y630 VanDerWaalsContact O-N 3.1Å; S628-Y630 PolarHBondContact OG-O 3.38Å; Y630-C639 WeakPolarHBondContact CB-O 3.21Å; Y630-C639 VanDerWaalsContact CD2-O 3.26Å; Y630-C639 WeakPolarHBondContact CD2-O 3.4Å; Y630-C639 PolarHBondContact O-N 3.25Å; Y630-L642 HydrophobicContact CD1-CD2 3.32Å; Y630-L642 HydrophobicContact CD1-CG 3.94Å; Y630-L642 HydrophobicContact CE1-CD1 4.22Å; Y630-L642 HydrophobicContact CE1-CD2 3.18Å; Y630-L642 HydrophobicContact CE1-CG 3.35Å; Y630-L642 HydrophobicContact CE2-CG 4.45Å; Y630-L642 HydrophobicContact CG-CD2 4.2Å; Y630-M645 VanDerWaalsContact C-CE 3.45Å; Y630-M645 VanDerWaalsContact O-CE 3.24Å; Y630-M645 WeakPolarHBondContact O-CE 3.44Å; Y630-L668 HydrophobicContact CD1-CD1 4.19Å; Y630-L668 HydrophobicContact CD1-CD2 4Å; Y630-L668 HydrophobicContact CE1-CD1 3.6Å; Y630-L668 HydrophobicContact CE1-CD2 3.48Å; Y630-L668 VanDerWaalsContact CE1-CD2 3.48Å; Y630-L668 HydrophobicContact CE1-CG 4.19Å
631	Q	68.4	Low	67	Low	98 Å²	98	64.7 Å²	64.7	46%	0.458	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-94.9	137.2	171.1	-166.6	-179	11.3	0	0	109.5	T636 Y638 M645	Q631-T636 VanDerWaalsContact CG-O 3.3Å; Q631-T636 WeakPolarHBondContact CG-O 3.44Å; Q631-T636 PolarHBondContact NE2-O 3.23Å; Q631-Y638 HydrophobicContact CB-CD1 4.06Å; Q631-Y638 HydrophobicContact CB-CE1 3.79Å; Q631-Y638 HydrophobicContact CG-CD1 4.2Å; Q631-Y638 HydrophobicContact CG-CE1 3.82Å; Q631-Y638 HydrophobicContact CG-CE2 4.24Å; Q631-Y638 PolarHBondContact NE2-OH 2.67Å; Q631-M645 WeakPolarHBondContact O-CE 3.35Å
632	C	71.3	Confident	67	Low	2 Å²	2	63.2 Å²	63.2	1%	0.014	36%	0.357	C	S	.	.			trans	-72.8	128.6	174.6	170.8	0	0	0	0	109.6	I634 C635 T636 E637 M645 H648 M649 H652	C632-I634 VanDerWaalsContact C-N 3.27Å; C632-I634 PolarHBondContact O-N 3.22Å; C632-I634 PolarHBondContact SG-N 2.78Å; C632-C635 PolarHBondContact SG-N 3.35Å; C632-T636 WeakPolarHBondContact O-CA 3.4Å; C632-T636 PolarHBondContact O-N 3.12Å; C632-E637 HydrophobicContact CB-CB 4.27Å; C632-E637 WeakPolarHBondContact CB-O 3.45Å; C632-E637 PolarHBondContact N-O 3.29Å; C632-M645 HydrophobicContact CB-CE 4.1Å; C632-M645 HydrophobicContact CB-SD 4.2Å; C632-M645 VanDerWaalsContact N-CE 3.28Å; C632-H648 WeakPolarHBondContact CB-NE2 3.36Å; C632-H648 PolarHBondContact SG-NE2 3.26Å; C632-M649 HydrophobicContact CB-CE 4.12Å; C632-M649 WeakPolarHBondContact SG-CE 3.45Å; C632-H652 PolarHBondContact SG-NE2 2.51Å
633	T	68.7	Low	67.3	Low	116 Å²	116	63.7 Å²	63.7	71%	0.712	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-15.7	178.3	50.3	0	0	0	0	113.8
634	I	73.5	Confident	67.6	Low	51 Å²	51	61.7 Å²	61.7	26%	0.262	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-52.2	-176	-55.1	169.6	0	0	0	111	C632 M649 H652 E656 I657	C632-I634 VanDerWaalsContact C-N 3.27Å; C632-I634 PolarHBondContact O-N 3.22Å; C632-I634 PolarHBondContact SG-N 2.78Å; I634-M649 HydrophobicContact CD1-CE 4.19Å; I634-M649 HydrophobicContact CD1-SD 4.37Å; I634-H652 HydrophobicContact CD1-CB 3.75Å; I634-H652 WeakPolarHBondContact CG2-ND1 3.23Å; I634-E656 WeakPolarHBondContact CD1-O 3.48Å; I634-E656 HydrophobicContact CG2-CB 4.24Å; I634-I657 HydrophobicContact CD1-CG1 4.08Å
635	C	78.7	Confident	68	Low	48 Å²	48	59.1 Å²	59.1	32%	0.324	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	12.5	-178.1	71.8	0	0	0	0	114.3	C632 E637 H648 H652	C632-C635 PolarHBondContact SG-N 3.35Å; C635-E637 PolarHBondContact O-N 3.18Å; C635-E637 VanDerWaalsContact SG-CG 3.53Å; C635-H648 PolarHBondContact SG-CE1 2.91Å; C635-H648 PolarHBondContact SG-NE2 3.11Å; C635-H652 PolarHBondContact SG-CE1 2.88Å
636	T	72.4	Confident	68.8	Low	89 Å²	89	57.9 Å²	57.9	55%	0.546	34%	0.339	S	S	.	.			trans	61.7	3.2	176.7	66.7	0	0	0	0	117.3	Q631 C632	Q631-T636 VanDerWaalsContact CG-O 3.3Å; Q631-T636 WeakPolarHBondContact CG-O 3.44Å; Q631-T636 PolarHBondContact NE2-O 3.23Å; C632-T636 WeakPolarHBondContact O-CA 3.4Å; C632-T636 PolarHBondContact O-N 3.12Å
637	E	72.4	Confident	69.9	Low	117 Å²	117	63 Å²	63	55%	0.547	34%	0.344	S	S	.	.			trans	-62.6	139.1	178	-77.5	-65	163.9	0	0	114	C632 C635	C632-E637 HydrophobicContact CB-CB 4.27Å; C632-E637 WeakPolarHBondContact CB-O 3.45Å; C632-E637 PolarHBondContact N-O 3.29Å; C635-E637 PolarHBondContact O-N 3.18Å; C635-E637 VanDerWaalsContact SG-CG 3.53Å
638	Y	68.6	Low	71.2	Confident	134 Å²	134	62.7 Å²	62.7	53%	0.525	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-97.2	115.6	-175.5	-75.7	-84.7	0	0	0	111.8	S628 Q631	S628-Y638 WeakPolarHBondContact O-CD1 3.32Å; Q631-Y638 HydrophobicContact CB-CD1 4.06Å; Q631-Y638 HydrophobicContact CB-CE1 3.79Å; Q631-Y638 HydrophobicContact CG-CD1 4.2Å; Q631-Y638 HydrophobicContact CG-CE1 3.82Å; Q631-Y638 HydrophobicContact CG-CE2 4.24Å; Q631-Y638 PolarHBondContact NE2-OH 2.67Å
639	C	67.8	Low	72.1	Confident	11 Å²	11	62.5 Å²	62.5	7%	0.074	33%	0.331	C	S	.	.			trans	-104.7	117.3	-177.4	-71.4	0	0	0	0	113.2	S628 Y630 S641 M645	S628-C639 PolarHBondContact OG-N 3.02Å; S628-C639 PolarHBondContact OG-O 2.91Å; Y630-C639 WeakPolarHBondContact CB-O 3.21Å; Y630-C639 VanDerWaalsContact CD2-O 3.26Å; Y630-C639 WeakPolarHBondContact CD2-O 3.4Å; Y630-C639 PolarHBondContact O-N 3.25Å; C639-S641 PolarHBondContact O-N 3.03Å; C639-M645 HydrophobicContact CB-CB 3.95Å; C639-M645 HydrophobicContact CB-CE 3.8Å; C639-M645 HydrophobicContact CB-SD 4.43Å
640	P	64.6	Low	73.1	Confident	46 Å²	46	68.1 Å²	68.1	30%	0.299	35%	0.348	S	S	.	.	S	Bend	trans	-63.4	-6.8	-171.5	24.4	-35.4	0	0	0	116.4	T623	T623-P640 HydrophobicContact CG2-CB 4.28Å
641	S	68	Low	73.8	Confident	23 Å²	23	69.5 Å²	69.5	16%	0.161	38%	0.375	C	S	.	.	S	Bend	trans	-151.2	156.4	173.9	81.3	0	0	0	0	112.6	C639 S643 S644 M645	C639-S641 PolarHBondContact O-N 3.03Å; S641-S643 PolarHBondContact O-N 3.4Å; S641-S643 PolarHBondContact OG-N 2.74Å; S641-S644 WeakPolarHBondContact O-CA 3.48Å; S641-S644 VanDerWaalsContact O-CB 3.3Å; S641-S644 WeakPolarHBondContact O-CB 3.48Å; S641-S644 PolarHBondContact O-N 3.3Å; S641-S644 PolarHBondContact OG-N 3.09Å; S641-S644 VanDerWaalsContact OG-N 3.09Å; S641-S644 PolarHBondContact OG-OG 2.78Å; S641-M645 PolarHBondContact O-N 2.79Å
642	L	71.3	Confident	74.4	Confident	25 Å²	25	66.2 Å²	66.2	13%	0.131	36%	0.36	C	S	.	.	H	α-helix	trans	-54.4	-36.7	170.7	-76.8	-179.1	0	0	0	113.4	Y630 S644 M645 Q646 I663	Y630-L642 HydrophobicContact CD1-CD2 3.32Å; Y630-L642 HydrophobicContact CD1-CG 3.94Å; Y630-L642 HydrophobicContact CE1-CD1 4.22Å; Y630-L642 HydrophobicContact CE1-CD2 3.18Å; Y630-L642 HydrophobicContact CE1-CG 3.35Å; Y630-L642 HydrophobicContact CE2-CG 4.45Å; Y630-L642 HydrophobicContact CG-CD2 4.2Å; L642-S644 VanDerWaalsContact C-N 3.29Å; L642-S644 PolarHBondContact O-N 2.84Å; L642-M645 PolarHBondContact O-N 3.34Å; L642-Q646 WeakPolarHBondContact O-CB 3.23Å; L642-Q646 VanDerWaalsContact O-CG 3.31Å; L642-Q646 WeakPolarHBondContact O-CG 3.44Å; L642-Q646 PolarHBondContact O-N 3.39Å; L642-I663 HydrophobicContact CD1-CG2 4.31Å; L642-I663 HydrophobicContact CD2-CD1 3.92Å; L642-I663 HydrophobicContact CD2-CG1 4.16Å; L642-I663 HydrophobicContact CD2-CG2 3.62Å
643	S	77.7	Confident	74.5	Confident	75 Å²	75	72 Å²	72	52%	0.524	39%	0.385	S	S	.	.	H	α-helix	trans	-69.8	-29.1	178	-54.6	0	0	0	0	112.2	S641 K647	S641-S643 PolarHBondContact O-N 3.4Å; S641-S643 PolarHBondContact OG-N 2.74Å; S643-K647 WeakPolarHBondContact O-CG 3.38Å; S643-K647 PolarHBondContact O-N 3.41Å
644	S	78.2	Confident	74.3	Confident	43 Å²	43	71.9 Å²	71.9	30%	0.301	39%	0.386	S	S	.	.	H	α-helix	trans	-70.4	-46.8	170	-50	0	0	0	0	110.1	S641 L642 Q646 K647 H648	S641-S644 WeakPolarHBondContact O-CA 3.48Å; S641-S644 VanDerWaalsContact O-CB 3.3Å; S641-S644 WeakPolarHBondContact O-CB 3.48Å; S641-S644 PolarHBondContact O-N 3.3Å; S641-S644 PolarHBondContact OG-N 3.09Å; S641-S644 VanDerWaalsContact OG-N 3.09Å; S641-S644 PolarHBondContact OG-OG 2.78Å; L642-S644 VanDerWaalsContact C-N 3.29Å; L642-S644 PolarHBondContact O-N 2.84Å; S644-Q646 PolarHBondContact O-N 2.91Å; S644-K647 WeakPolarHBondContact O-CB 3.15Å; S644-K647 PolarHBondContact O-N 3.11Å; S644-K647 VanDerWaalsContact O-N 3.11Å; S644-H648 WeakPolarHBondContact O-CB 3.15Å; S644-H648 PolarHBondContact O-N 3.41Å
645	M	75	Confident	73.8	Confident	12 Å²	12	78.1 Å²	78.1	6%	0.059	41%	0.414	C	S	.	.	H	α-helix	trans	-58.9	-46.2	176.5	-175.4	56.3	77.5	0	0	111.9	Y630 Q631 C632 C639 S641 L642 K647 H648 M649	Y630-M645 VanDerWaalsContact C-CE 3.45Å; Y630-M645 VanDerWaalsContact O-CE 3.24Å; Y630-M645 WeakPolarHBondContact O-CE 3.44Å; Q631-M645 WeakPolarHBondContact O-CE 3.35Å; C632-M645 HydrophobicContact CB-CE 4.1Å; C632-M645 HydrophobicContact CB-SD 4.2Å; C632-M645 VanDerWaalsContact N-CE 3.28Å; C639-M645 HydrophobicContact CB-CB 3.95Å; C639-M645 HydrophobicContact CB-CE 3.8Å; C639-M645 HydrophobicContact CB-SD 4.43Å; S641-M645 PolarHBondContact O-N 2.79Å; L642-M645 PolarHBondContact O-N 3.34Å; M645-K647 VanDerWaalsContact C-N 3.26Å; M645-K647 PolarHBondContact O-N 3.25Å; M645-H648 WeakPolarHBondContact O-CB 3.47Å; M645-H648 PolarHBondContact O-N 3.42Å; M645-H648 VanDerWaalsContact O-N 3.14Å; M645-M649 HydrophobicContact CG-CG 4.24Å; M645-M649 WeakPolarHBondContact O-CB 3.42Å; M645-M649 VanDerWaalsContact O-CG 3.25Å; M645-M649 WeakPolarHBondContact O-CG 3.4Å; M645-M649 PolarHBondContact O-N 2.67Å; M645-M649 HydrophobicContact SD-CE 3.96Å; M645-M649 HydrophobicContact SD-CG 4.15Å
646	Q	76.5	Confident	72.9	Confident	92 Å²	92	79.8 Å²	79.8	43%	0.43	42%	0.417	S	S	.	.	H	α-helix	trans	-63.5	-27.3	176.7	-74.7	179.1	-40.2	0	0	113.7	L642 S644 K650 W661 I663	L642-Q646 WeakPolarHBondContact O-CB 3.23Å; L642-Q646 VanDerWaalsContact O-CG 3.31Å; L642-Q646 WeakPolarHBondContact O-CG 3.44Å; L642-Q646 PolarHBondContact O-N 3.39Å; S644-Q646 PolarHBondContact O-N 2.91Å; Q646-K650 WeakPolarHBondContact O-CG 3.46Å; Q646-W661 HydrophobicContact CG-CH2 4.39Å; Q646-I663 HydrophobicContact CG-CD1 4.44Å
647	K	80.7	Confident	72.3	Confident	165 Å²	165	77.5 Å²	77.5	72%	0.717	40%	0.401	S	S	*	.	H	α-helix	trans	-77.5	-41.4	171.7	-75	178	177.7	-170.5	0	111.3	S643 S644 M645 K650	S643-K647 WeakPolarHBondContact O-CG 3.38Å; S643-K647 PolarHBondContact O-N 3.41Å; S644-K647 WeakPolarHBondContact O-CB 3.15Å; S644-K647 PolarHBondContact O-N 3.11Å; S644-K647 VanDerWaalsContact O-N 3.11Å; M645-K647 VanDerWaalsContact C-N 3.26Å; M645-K647 PolarHBondContact O-N 3.25Å; K647-K650 WeakPolarHBondContact O-CB 3.49Å; K647-K650 PolarHBondContact O-N 2.89Å
648	H	81.5	Confident	71.7	Confident	51 Å²	51	74.7 Å²	74.7	24%	0.236	39%	0.393	C	S	.	.	H	α-helix	trans	-62.9	-44	176.6	174.6	77.7	0	0	0	111.9	C632 C635 S644 M645 K650 G651 H652	C632-H648 WeakPolarHBondContact CB-NE2 3.36Å; C632-H648 PolarHBondContact SG-NE2 3.26Å; C635-H648 PolarHBondContact SG-CE1 2.91Å; C635-H648 PolarHBondContact SG-NE2 3.11Å; S644-H648 WeakPolarHBondContact O-CB 3.15Å; S644-H648 PolarHBondContact O-N 3.41Å; M645-H648 WeakPolarHBondContact O-CB 3.47Å; M645-H648 PolarHBondContact O-N 3.42Å; M645-H648 VanDerWaalsContact O-N 3.14Å; H648-K650 PolarHBondContact O-N 3.04Å; H648-G651 WeakPolarHBondContact O-CA 3.47Å; H648-G651 PolarHBondContact O-N 3.1Å; H648-H652 AromaticContact CD2-NE2 3.66Å; H648-H652 AromaticContact CE1-NE2 3.51Å; H648-H652 AromaticContact NE2-CD2 3.91Å; H648-H652 AromaticContact NE2-NE2 3.02Å; H648-H652 PolarHBondContact NE2-NE2 3.35Å; H648-H652 PolarHBondContact O-CD2 3.42Å
649	M	76.3	Confident	71	Confident	9 Å²	9	74.4 Å²	74.4	4%	0.044	41%	0.408	C	S	.	.	H	α-helix	trans	-56.2	-32.3	172.3	-71.2	-68.7	97.4	0	0	113.5	C632 I634 M645 G651 H652 I657 W661	C632-M649 HydrophobicContact CB-CE 4.12Å; C632-M649 WeakPolarHBondContact SG-CE 3.45Å; I634-M649 HydrophobicContact CD1-CE 4.19Å; I634-M649 HydrophobicContact CD1-SD 4.37Å; M645-M649 HydrophobicContact CG-CG 4.24Å; M645-M649 WeakPolarHBondContact O-CB 3.42Å; M645-M649 VanDerWaalsContact O-CG 3.25Å; M645-M649 WeakPolarHBondContact O-CG 3.4Å; M645-M649 PolarHBondContact O-N 2.67Å; M645-M649 HydrophobicContact SD-CE 3.96Å; M645-M649 HydrophobicContact SD-CG 4.15Å; M649-G651 PolarHBondContact O-N 3.31Å; M649-H652 PolarHBondContact O-N 2.4Å; M649-I657 WeakPolarHBondContact O-CD1 3.33Å; M649-W661 HydrophobicContact CB-CH2 4.27Å; M649-W661 HydrophobicContact CB-CZ3 4.32Å; M649-W661 HydrophobicContact CG-CE3 4.17Å; M649-W661 HydrophobicContact CG-CH2 4.34Å; M649-W661 HydrophobicContact CG-CZ3 3.88Å; M649-W661 HydrophobicContact SD-CE3 4.37Å
650	K	80	Confident	70.3	Confident	183 Å²	183	80.1 Å²	80.1	80%	0.796	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-10.4	174.7	-70.3	177.1	179.1	-165	0	114.2	Q646 K647 H648	Q646-K650 WeakPolarHBondContact O-CG 3.46Å; K647-K650 WeakPolarHBondContact O-CB 3.49Å; K647-K650 PolarHBondContact O-N 2.89Å; H648-K650 PolarHBondContact O-N 3.04Å
651	G	79.2	Confident	69.7	Low	70 Å²	70	83 Å²	83	72%	0.722	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-16.4	173.7	0	0	0	0	0	113.8	H648 M649	H648-G651 WeakPolarHBondContact O-CA 3.47Å; H648-G651 PolarHBondContact O-N 3.1Å; M649-G651 PolarHBondContact O-N 3.31Å
652	H	79.6	Confident	68.5	Low	29 Å²	29	91.7 Å²	91.7	13%	0.134	47%	0.472	C	S	.	.	S	Bend	trans	-75.9	151.9	174.1	-72.2	-73.1	0	0	0	111	C632 I634 C635 H648 M649 I657	C632-H652 PolarHBondContact SG-NE2 2.51Å; I634-H652 HydrophobicContact CD1-CB 3.75Å; I634-H652 WeakPolarHBondContact CG2-ND1 3.23Å; C635-H652 PolarHBondContact SG-CE1 2.88Å; H648-H652 AromaticContact CD2-NE2 3.66Å; H648-H652 AromaticContact CE1-NE2 3.51Å; H648-H652 AromaticContact NE2-CD2 3.91Å; H648-H652 AromaticContact NE2-NE2 3.02Å; H648-H652 PolarHBondContact NE2-NE2 3.35Å; H648-H652 PolarHBondContact O-CD2 3.42Å; M649-H652 PolarHBondContact O-N 2.4Å; H652-I657 HydrophobicContact CB-CD1 4.39Å; H652-I657 HydrophobicContact CB-CG1 4.03Å
653	K	73.9	Confident	67.4	Low	122 Å²	122	93.5 Å²	93.5	53%	0.53	48%	0.481	S	S	.	.			trans	-64.9	141.6	176.6	-62.1	-168.4	-154.8	116.6	0	109.5	E655 E656 I657	K653-E655 PolarHBondContact O-N 2.78Å; K653-E656 HydrophobicContact CB-CG 4.27Å; K653-E656 IonicContact NZ-OE1 2.79Å; K653-E656 PolarHBondContact NZ-OE1 2.99Å; K653-E656 PolarHBondContact O-N 3.37Å; K653-I657 PolarHBondContact O-N 3.17Å
654	P	64.3	Low	65.5	Low	114 Å²	114	95.7 Å²	95.7	74%	0.74	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-28.9	178	-27.7	35.5	0	0	0	114.5
655	E	62.3	Low	63.6	Low	182 Å²	182	98.9 Å²	98.9	85%	0.85	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-24.5	178.1	-61.2	173.9	172	0	0	113.7	K653	K653-E655 PolarHBondContact O-N 2.78Å
656	E	60.6	Low	61.8	Low	84 Å²	84	101.9 Å²	101.9	39%	0.393	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-9.6	-178.2	-65.5	167.9	-156.2	0	0	112	I634 K653 P658	I634-E656 WeakPolarHBondContact CD1-O 3.48Å; I634-E656 HydrophobicContact CG2-CB 4.24Å; K653-E656 HydrophobicContact CB-CG 4.27Å; K653-E656 IonicContact NZ-OE1 2.79Å; K653-E656 PolarHBondContact NZ-OE1 2.99Å; K653-E656 PolarHBondContact O-N 3.37Å; E656-P658 WeakPolarHBondContact O-CD 3.2Å
657	I	59.4	Low	60	Low	40 Å²	40	105.7 Å²	105.7	21%	0.205	52%	0.522	C	S	.	.	S	Bend	trans	-85.5	116.8	179	-62	170.8	0	0	0	108.9	I634 M649 H652 K653 W661	I634-I657 HydrophobicContact CD1-CG1 4.08Å; M649-I657 WeakPolarHBondContact O-CD1 3.33Å; H652-I657 HydrophobicContact CB-CD1 4.39Å; H652-I657 HydrophobicContact CB-CG1 4.03Å; K653-I657 PolarHBondContact O-N 3.17Å; I657-W661 HydrophobicContact CG2-CB 4.49Å; I657-W661 HydrophobicContact CG2-CD2 4.48Å; I657-W661 HydrophobicContact CG2-CG 3.85Å
658	P	59.3	Low	58.3	Low	58 Å²	58	100 Å²	100	38%	0.377	50%	0.499	S	S	.	.			trans	-57.8	134.4	177	-24.2	34.4	0	0	0	110.8	E656 D660 W661	E656-P658 WeakPolarHBondContact O-CD 3.2Å; P658-D660 PolarHBondContact O-N 3.1Å; P658-W661 HydrophobicContact CB-CB 4.49Å; P658-W661 WeakPolarHBondContact O-CB 3.45Å; P658-W661 VanDerWaalsContact O-CD1 3.29Å; P658-W661 PolarHBondContact O-N 2.86Å
659	P	55.3	Low	56.4	Low	129 Å²	129	104.1 Å²	104.1	84%	0.838	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-31.5	-178.9	22.3	-32.7	0	0	0	112.2
660	D	52.8	Low	54.5	Low	130 Å²	130	110.2 Å²	110.2	70%	0.695	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	30.4	175.6	-70.9	-54.7	0	0	0	113.8	P658 R662	P658-D660 PolarHBondContact O-N 3.1Å; D660-R662 PolarHBondContact O-N 3.05Å
661	W	51.4	Low	52.6	Low	106 Å²	106	106 Å²	106	40%	0.402	54%	0.538	S	S	.	.			trans	-67.1	80.5	173.2	85.8	-78.6	0	0	0	111.5	Q646 M649 I657 P658 I663	Q646-W661 HydrophobicContact CG-CH2 4.39Å; M649-W661 HydrophobicContact CB-CH2 4.27Å; M649-W661 HydrophobicContact CB-CZ3 4.32Å; M649-W661 HydrophobicContact CG-CE3 4.17Å; M649-W661 HydrophobicContact CG-CH2 4.34Å; M649-W661 HydrophobicContact CG-CZ3 3.88Å; M649-W661 HydrophobicContact SD-CE3 4.37Å; I657-W661 HydrophobicContact CG2-CB 4.49Å; I657-W661 HydrophobicContact CG2-CD2 4.48Å; I657-W661 HydrophobicContact CG2-CG 3.85Å; P658-W661 HydrophobicContact CB-CB 4.49Å; P658-W661 WeakPolarHBondContact O-CB 3.45Å; P658-W661 VanDerWaalsContact O-CD1 3.29Å; P658-W661 PolarHBondContact O-N 2.86Å; W661-I663 HydrophobicContact CZ3-CD1 4.07Å; W661-I663 HydrophobicContact CZ3-CG1 4.45Å
662	R	43.3	Very low	50.6	Low	206 Å²	206	111.8 Å²	111.8	78%	0.777	54%	0.54	S	S	*	.			trans	-101.1	125.3	169.3	-77.4	-177.5	179.1	149.1	4.7	109.3	D660 E664	D660-R662 PolarHBondContact O-N 3.05Å; R662-E664 VanDerWaalsContact C-N 3.3Å; R662-E664 PolarHBondContact O-N 3.13Å
663	I	48.8	Very low	48.6	Very low	63 Å²	63	117.3 Å²	117.3	32%	0.323	58%	0.575	S	S	.	*			trans	-66.7	94.4	164.9	-63.4	146.6	0	0	0	107.1	L642 Q646 W661 K665 L668	L642-I663 HydrophobicContact CD1-CG2 4.31Å; L642-I663 HydrophobicContact CD2-CD1 3.92Å; L642-I663 HydrophobicContact CD2-CG1 4.16Å; L642-I663 HydrophobicContact CD2-CG2 3.62Å; Q646-I663 HydrophobicContact CG-CD1 4.44Å; W661-I663 HydrophobicContact CZ3-CD1 4.07Å; W661-I663 HydrophobicContact CZ3-CG1 4.45Å; I663-K665 PolarHBondContact O-N 3.43Å; I663-K665 VanDerWaalsContact O-N 3.14Å; I663-L668 HydrophobicContact CG2-CD1 4.08Å
664	E	37.3	Very low	47.3	Very low	122 Å²	122	117.1 Å²	117.1	57%	0.57	58%	0.577	S	S	*	*			trans	-62.7	112.9	171.3	-79.1	-155.2	174.5	0	0	110.2	R662 T666	R662-E664 VanDerWaalsContact C-N 3.3Å; R662-E664 PolarHBondContact O-N 3.13Å; E664-T666 PolarHBondContact O-N 3.45Å; E664-T666 PolarHBondContact OE2-OG1 3.43Å
665	K	38.3	Very low	46.4	Very low	109 Å²	109	117.2 Å²	117.2	47%	0.474	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.5	-26	172.1	-82.8	179.4	172.6	-179.5	0	112	I663 Y669	I663-K665 PolarHBondContact O-N 3.43Å; I663-K665 VanDerWaalsContact O-N 3.14Å; K665-Y669 PolarHBondContact O-N 2.92Å
666	T	37.2	Very low	45.6	Very low	75 Å²	75	113.6 Å²	113.6	46%	0.46	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.3	-48.5	-176.3	21.8	0	0	0	0	112.8	E664 L668 Y669 L670	E664-T666 PolarHBondContact O-N 3.45Å; E664-T666 PolarHBondContact OE2-OG1 3.43Å; T666-L668 PolarHBondContact O-N 2.99Å; T666-Y669 WeakPolarHBondContact O-CB 3.42Å; T666-Y669 PolarHBondContact O-N 3.32Å; T666-L670 PolarHBondContact O-N 2.65Å
667	Y	38.8	Very low	44.7	Very low	172 Å²	172	115.4 Å²	115.4	68%	0.675	56%	0.562	S	S	*	*	H	α-helix	trans	-63.1	-31.9	-179.4	-147	-87.9	0	0	0	112.6	Y669 C671	Y667-Y669 VanDerWaalsContact C-N 3.32Å; Y667-Y669 PolarHBondContact O-N 2.97Å; Y667-C671 PolarHBondContact O-N 2.84Å
668	L	45.9	Very low	43.7	Very low	46 Å²	46	120.1 Å²	120.1	24%	0.241	59%	0.585	C	S	.	*	H	α-helix	trans	-76.3	-14.7	176.4	-78.2	151.4	0	0	0	114.4	P629 Y630 I663 T666 Y672	P629-L668 HydrophobicContact CB-CD2 3.8Å; P629-L668 HydrophobicContact CG-CD2 4.11Å; Y630-L668 HydrophobicContact CD1-CD1 4.19Å; Y630-L668 HydrophobicContact CD1-CD2 4Å; Y630-L668 HydrophobicContact CE1-CD1 3.6Å; Y630-L668 HydrophobicContact CE1-CD2 3.48Å; Y630-L668 VanDerWaalsContact CE1-CD2 3.48Å; Y630-L668 HydrophobicContact CE1-CG 4.19Å; I663-L668 HydrophobicContact CG2-CD1 4.08Å; T666-L668 PolarHBondContact O-N 2.99Å; L668-Y672 VanDerWaalsContact O-CB 3.3Å; L668-Y672 WeakPolarHBondContact O-CB 3.34Å
669	Y	40.2	Very low	42.7	Very low	138 Å²	138	124.2 Å²	124.2	54%	0.541	60%	0.598	S	S	.	*	H	α-helix	trans	-85	-42.5	174.9	-174	-112.8	0	0	0	110.6	K665 T666 Y667 C671 Y672 V673	K665-Y669 PolarHBondContact O-N 2.92Å; T666-Y669 WeakPolarHBondContact O-CB 3.42Å; T666-Y669 PolarHBondContact O-N 3.32Å; Y667-Y669 VanDerWaalsContact C-N 3.32Å; Y667-Y669 PolarHBondContact O-N 2.97Å; Y669-C671 VanDerWaalsContact C-N 3.26Å; Y669-C671 PolarHBondContact O-N 2.62Å; Y669-Y672 PolarHBondContact O-N 2.83Å; Y669-Y672 VanDerWaalsContact O-N 3.08Å; Y669-V673 HydrophobicContact CD1-CG2 4.32Å; Y669-V673 HydrophobicContact CD2-CG2 4.27Å; Y669-V673 HydrophobicContact CE1-CG2 3.97Å; Y669-V673 HydrophobicContact CE2-CG2 3.88Å; Y669-V673 HydrophobicContact CG-CG2 4.47Å; Y669-V673 PolarHBondContact O-N 3.2Å
670	L	36.2	Very low	41.8	Very low	137 Å²	137	123.9 Å²	123.9	72%	0.717	58%	0.581	S	S	*	*	H	α-helix	trans	-67.3	-19.2	177.3	-76.7	162.5	0	0	0	114.6	T666	T666-L670 PolarHBondContact O-N 2.65Å
671	C	40.2	Very low	41	Very low	95 Å²	95	123.4 Å²	123.4	64%	0.642	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	9.7	172.2	-61.1	0	0	0	0	113.6	Y667 Y669	Y667-C671 PolarHBondContact O-N 2.84Å; Y669-C671 VanDerWaalsContact C-N 3.26Å; Y669-C671 PolarHBondContact O-N 2.62Å
672	Y	38.3	Very low	40.1	Very low	191 Å²	191	124.8 Å²	124.8	75%	0.749	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.2	-26.9	-179	178	-94.3	0	0	0	113.3	L668 Y669	L668-Y672 VanDerWaalsContact O-CB 3.3Å; L668-Y672 WeakPolarHBondContact O-CB 3.34Å; Y669-Y672 PolarHBondContact O-N 2.83Å; Y669-Y672 VanDerWaalsContact O-N 3.08Å
673	V	36.9	Very low	39.8	Very low	144 Å²	144	117.5 Å²	117.5	87%	0.873	57%	0.57	S	S	*	*			trans	-68.5	0	155.8	179	0	0	0	0	108.7	Y669	Y669-V673 HydrophobicContact CD1-CG2 4.32Å; Y669-V673 HydrophobicContact CD2-CG2 4.27Å; Y669-V673 HydrophobicContact CE1-CG2 3.97Å; Y669-V673 HydrophobicContact CE2-CG2 3.88Å; Y669-V673 HydrophobicContact CG-CG2 4.47Å; Y669-V673 PolarHBondContact O-N 3.2Å

Retrieved 673 of 673 residues in 766 ms (Link to these results)

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