A0A096LWN6_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A096LWN6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 634 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38	Very low	51	Low	247 Å²	247	114.9 Å²	114.9	100%	1.217	63%	0.631	S	S	*	*				0	113.5	0	-64.7	170.8	-179.8	0	0	107.1
2	T	38.8	Very low	52.4	Low	130 Å²	130	118.4 Å²	118.4	80%	0.798	63%	0.627	S	S	*	*			trans	-77.4	145.5	171.7	22.7	0	0	0	0	109.6
3	S	41.1	Very low	53.3	Low	75 Å²	75	120.7 Å²	120.7	52%	0.524	63%	0.629	S	S	.	*			trans	-72	139.9	-173	-166.9	0	0	0	0	112.2	T5	S3-T5 PolarHBondContact O-N 3.37Å; S3-T5 VanDerWaalsContact O-N 3.13Å; S3-T5 PolarHBondContact OG-N 2.71Å; S3-T5 PolarHBondContact OG-OG1 3.45Å
4	I	47.1	Very low	54.1	Low	168 Å²	168	115.9 Å²	115.9	86%	0.862	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	4.5	176.6	-64.8	166.6	0	0	0	111.5
5	T	53.3	Low	55.1	Low	114 Å²	114	113.2 Å²	113.2	70%	0.699	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	13.3	-172.7	63.3	0	0	0	0	114.7	S3 P7	S3-T5 PolarHBondContact O-N 3.37Å; S3-T5 VanDerWaalsContact O-N 3.13Å; S3-T5 PolarHBondContact OG-N 2.71Å; S3-T5 PolarHBondContact OG-OG1 3.45Å; T5-P7 WeakPolarHBondContact O-CD 3.49Å
6	D	51.4	Low	55.9	Low	68 Å²	68	109.8 Å²	109.8	36%	0.364	59%	0.589	S	S	.	*			trans	-79.6	115.2	174.7	178.8	-7.4	0	0	0	110.3	S8 M9 K10	D6-S8 PolarHBondContact O-N 2.74Å; D6-S8 VanDerWaalsContact OD1-CB 3.3Å; D6-S8 WeakPolarHBondContact OD1-CB 3.28Å; D6-S8 PolarHBondContact OD1-N 2.71Å; D6-S8 PolarHBondContact OD1-OG 3.43Å; D6-S8 PolarHBondContact OD2-OG 3.48Å; D6-S8 VanDerWaalsContact OD2-OG 3.07Å; D6-M9 HydrophobicContact CB-CB 4.14Å; D6-M9 HydrophobicContact CB-CE 4.41Å; D6-M9 WeakPolarHBondContact O-CB 3.31Å; D6-M9 PolarHBondContact O-N 3.34Å; D6-M9 VanDerWaalsContact O-N 3.09Å; D6-K10 PolarHBondContact O-N 3.4Å
7	P	57.3	Low	56.4	Low	92 Å²	92	108.9 Å²	108.9	60%	0.597	58%	0.584	S	S	*	*	H	α-helix	trans	-57.4	-38.4	178.8	-23.3	34.4	0	0	0	112.5	T5 M9 K10 D11	T5-P7 WeakPolarHBondContact O-CD 3.49Å; P7-M9 PolarHBondContact O-N 3.16Å; P7-M9 VanDerWaalsContact O-N 3.16Å; P7-K10 WeakPolarHBondContact O-CB 3.47Å; P7-K10 PolarHBondContact O-N 2.85Å; P7-D11 PolarHBondContact O-N 2.77Å
8	S	58.3	Low	57.1	Low	48 Å²	48	108 Å²	108	34%	0.336	58%	0.575	S	S	.	*	H	α-helix	trans	-66.1	-20.6	-178.7	79.5	0	0	0	0	112.9	D6 R12	D6-S8 PolarHBondContact O-N 2.74Å; D6-S8 VanDerWaalsContact OD1-CB 3.3Å; D6-S8 WeakPolarHBondContact OD1-CB 3.28Å; D6-S8 PolarHBondContact OD1-N 2.71Å; D6-S8 PolarHBondContact OD1-OG 3.43Å; D6-S8 PolarHBondContact OD2-OG 3.48Å; D6-S8 VanDerWaalsContact OD2-OG 3.07Å; S8-R12 WeakPolarHBondContact O-CB 3.2Å; S8-R12 WeakPolarHBondContact O-CG 3.29Å; S8-R12 PolarHBondContact O-N 3.05Å; S8-R12 PolarHBondContact O-NE 3.08Å; S8-R12 PolarHBondContact OG-NH2 3.29Å
9	M	57.5	Low	58	Low	90 Å²	90	108.8 Å²	108.8	44%	0.443	58%	0.575	S	S	.	*	H	α-helix	trans	-78.4	-39.2	174.1	-164	-173.7	-54.5	0	0	110.9	D6 P7 F13	D6-M9 HydrophobicContact CB-CB 4.14Å; D6-M9 HydrophobicContact CB-CE 4.41Å; D6-M9 WeakPolarHBondContact O-CB 3.31Å; D6-M9 PolarHBondContact O-N 3.34Å; D6-M9 VanDerWaalsContact O-N 3.09Å; P7-M9 PolarHBondContact O-N 3.16Å; P7-M9 VanDerWaalsContact O-N 3.16Å; M9-F13 WeakPolarHBondContact O-CB 3.41Å; M9-F13 PolarHBondContact O-N 3.39Å; M9-F13 VanDerWaalsContact O-N 3.11Å
10	K	57.9	Low	58.7	Low	144 Å²	144	108.1 Å²	108.1	63%	0.626	57%	0.571	S	S	*	*	H	α-helix	trans	-63.7	-50.1	175.1	-172.1	-163.1	173	-158.6	0	110.9	D6 P7 R12 F13 T14	D6-K10 PolarHBondContact O-N 3.4Å; P7-K10 WeakPolarHBondContact O-CB 3.47Å; P7-K10 PolarHBondContact O-N 2.85Å; K10-R12 VanDerWaalsContact C-N 3.34Å; K10-R12 PolarHBondContact O-N 2.98Å; K10-F13 WeakPolarHBondContact O-CA 3.16Å; K10-F13 WeakPolarHBondContact O-CB 3.49Å; K10-F13 PolarHBondContact O-N 3.49Å; K10-T14 PolarHBondContact O-N 3.47Å; K10-T14 PolarHBondContact O-OG1 2.77Å
11	D	60.8	Low	59.2	Low	88 Å²	88	107.1 Å²	107.1	47%	0.471	56%	0.563	S	S	.	*	H	α-helix	trans	-65.9	-38.5	-174	-58.5	-21.4	0	0	0	111.3	P7 F13 T14 C15	P7-D11 PolarHBondContact O-N 2.77Å; D11-F13 PolarHBondContact O-N 3.21Å; D11-T14 WeakPolarHBondContact CA-OG1 3.35Å; D11-T14 PolarHBondContact O-N 3.06Å; D11-T14 PolarHBondContact O-OG1 3.3Å; D11-C15 PolarHBondContact O-N 3.5Å; D11-C15 PolarHBondContact O-SG 2.73Å; D11-C15 VanDerWaalsContact O-SG 3.36Å
12	R	67	Low	60.8	Low	157 Å²	157	100.2 Å²	100.2	59%	0.592	53%	0.531	S	S	*	.	H	α-helix	trans	-61.5	-40.7	169.9	-80.3	-179.4	-80.2	-177	-5.6	112.5	S8 K10 C15 S16	S8-R12 WeakPolarHBondContact O-CB 3.2Å; S8-R12 WeakPolarHBondContact O-CG 3.29Å; S8-R12 PolarHBondContact O-N 3.05Å; S8-R12 PolarHBondContact O-NE 3.08Å; S8-R12 PolarHBondContact OG-NH2 3.29Å; K10-R12 VanDerWaalsContact C-N 3.34Å; K10-R12 PolarHBondContact O-N 2.98Å; R12-C15 PolarHBondContact O-N 3.47Å; R12-S16 PolarHBondContact O-N 3.41Å; R12-S16 PolarHBondContact O-OG 3.48Å
13	F	64	Low	62.5	Low	148 Å²	148	98.2 Å²	98.2	65%	0.649	52%	0.516	S	S	*	.	H	α-helix	trans	-67.7	-36.9	179.3	-157.9	-95.8	0	0	0	112.3	M9 K10 D11 L17	M9-F13 WeakPolarHBondContact O-CB 3.41Å; M9-F13 PolarHBondContact O-N 3.39Å; M9-F13 VanDerWaalsContact O-N 3.11Å; K10-F13 WeakPolarHBondContact O-CA 3.16Å; K10-F13 WeakPolarHBondContact O-CB 3.49Å; K10-F13 PolarHBondContact O-N 3.49Å; D11-F13 PolarHBondContact O-N 3.21Å; F13-L17 HydrophobicContact CD1-CD1 3.76Å; F13-L17 HydrophobicContact CD1-CG 4.46Å; F13-L17 HydrophobicContact CE1-CD1 3.75Å; F13-L17 HydrophobicContact CE1-CG 4.42Å; F13-L17 WeakPolarHBondContact O-CG 3.33Å; F13-L17 PolarHBondContact O-N 3.15Å; F13-L17 VanDerWaalsContact O-N 3.13Å
14	T	65.5	Low	64	Low	54 Å²	54	99.6 Å²	99.6	33%	0.331	51%	0.513	S	S	.	.	H	α-helix	trans	-67.8	-46.1	172.7	39.8	0	0	0	0	112.2	K10 D11 S16 L17 E18	K10-T14 PolarHBondContact O-N 3.47Å; K10-T14 PolarHBondContact O-OG1 2.77Å; D11-T14 WeakPolarHBondContact CA-OG1 3.35Å; D11-T14 PolarHBondContact O-N 3.06Å; D11-T14 PolarHBondContact O-OG1 3.3Å; T14-S16 VanDerWaalsContact C-N 3.35Å; T14-S16 PolarHBondContact O-N 3.32Å; T14-L17 PolarHBondContact O-N 3.35Å; T14-L17 VanDerWaalsContact O-N 3.12Å; T14-E18 WeakPolarHBondContact O-CG 3.21Å; T14-E18 PolarHBondContact O-N 3.5Å
15	C	67.9	Low	65	Low	75 Å²	75	95.4 Å²	95.4	51%	0.507	49%	0.492	S	S	.	.	H	α-helix	trans	-62	-40.3	177.8	-67.6	0	0	0	0	112.4	D11 R12 L17 E18 E19	D11-C15 PolarHBondContact O-N 3.5Å; D11-C15 PolarHBondContact O-SG 2.73Å; D11-C15 VanDerWaalsContact O-SG 3.36Å; R12-C15 PolarHBondContact O-N 3.47Å; C15-L17 VanDerWaalsContact C-N 3.34Å; C15-L17 PolarHBondContact O-N 2.71Å; C15-E18 PolarHBondContact O-N 3.11Å; C15-E19 VanDerWaalsContact O-CB 3.3Å; C15-E19 WeakPolarHBondContact O-CB 3.43Å; C15-E19 PolarHBondContact O-N 3.14Å
16	S	68.6	Low	66.1	Low	59 Å²	59	95.9 Å²	95.9	41%	0.413	49%	0.485	S	S	.	.	H	α-helix	trans	-66.8	-32.6	174.9	-66.4	0	0	0	0	113.1	R12 T14 I20	R12-S16 PolarHBondContact O-N 3.41Å; R12-S16 PolarHBondContact O-OG 3.48Å; T14-S16 VanDerWaalsContact C-N 3.35Å; T14-S16 PolarHBondContact O-N 3.32Å; S16-I20 WeakPolarHBondContact O-CB 3.47Å; S16-I20 WeakPolarHBondContact O-CD1 3.46Å; S16-I20 WeakPolarHBondContact O-CG1 3.44Å; S16-I20 PolarHBondContact O-N 3.11Å
17	L	63.8	Low	67.2	Low	94 Å²	94	95.4 Å²	95.4	49%	0.492	49%	0.487	S	S	.	.	H	α-helix	trans	-68.5	-41.6	172.7	-81.8	167.7	0	0	0	112.1	F13 T14 C15 I20 H21	F13-L17 HydrophobicContact CD1-CD1 3.76Å; F13-L17 HydrophobicContact CD1-CG 4.46Å; F13-L17 HydrophobicContact CE1-CD1 3.75Å; F13-L17 HydrophobicContact CE1-CG 4.42Å; F13-L17 WeakPolarHBondContact O-CG 3.33Å; F13-L17 PolarHBondContact O-N 3.15Å; F13-L17 VanDerWaalsContact O-N 3.13Å; T14-L17 PolarHBondContact O-N 3.35Å; T14-L17 VanDerWaalsContact O-N 3.12Å; C15-L17 VanDerWaalsContact C-N 3.34Å; C15-L17 PolarHBondContact O-N 2.71Å; L17-I20 PolarHBondContact O-N 3.25Å; L17-H21 WeakPolarHBondContact O-CB 3.44Å; L17-H21 PolarHBondContact O-N 3.41Å
18	E	69.4	Low	67.6	Low	93 Å²	93	97.8 Å²	97.8	44%	0.435	49%	0.485	S	S	.	.	H	α-helix	trans	-67.9	-37.4	176.8	-72	164.2	178.4	0	0	111.6	T14 C15 H21 N22	T14-E18 WeakPolarHBondContact O-CG 3.21Å; T14-E18 PolarHBondContact O-N 3.5Å; C15-E18 PolarHBondContact O-N 3.11Å; E18-H21 PolarHBondContact O-N 3.33Å; E18-N22 WeakPolarHBondContact O-CB 3.42Å; E18-N22 PolarHBondContact O-N 3.29Å; E18-N22 PolarHBondContact O-ND2 3.45Å
19	E	74.6	Confident	68.2	Low	123 Å²	123	97.8 Å²	97.8	58%	0.575	49%	0.488	S	S	*	.	H	α-helix	trans	-65.4	-44.3	173	-176.6	174.1	-155.9	0	0	111.7	C15 N23	C15-E19 VanDerWaalsContact O-CB 3.3Å; C15-E19 WeakPolarHBondContact O-CB 3.43Å; C15-E19 PolarHBondContact O-N 3.14Å; E19-N23 WeakPolarHBondContact O-CB 3.38Å; E19-N23 PolarHBondContact O-N 3.04Å; E19-N23 PolarHBondContact O-ND2 3.32Å
20	I	72.1	Confident	69.2	Low	95 Å²	95	98 Å²	98	49%	0.487	49%	0.488	S	S	.	.	H	α-helix	trans	-61.9	-44.4	173.4	-71.2	165.3	0	0	0	110.5	S16 L17 N23 H24	S16-I20 WeakPolarHBondContact O-CB 3.47Å; S16-I20 WeakPolarHBondContact O-CD1 3.46Å; S16-I20 WeakPolarHBondContact O-CG1 3.44Å; S16-I20 PolarHBondContact O-N 3.11Å; L17-I20 PolarHBondContact O-N 3.25Å; I20-N23 PolarHBondContact O-N 3.31Å; I20-H24 PolarHBondContact O-CD2 3.35Å; I20-H24 PolarHBondContact O-N 3.31Å
21	H	69.4	Low	69.9	Low	88 Å²	88	95.3 Å²	95.3	41%	0.407	48%	0.479	S	S	.	.	H	α-helix	trans	-62.4	-46.7	179.7	-168.2	85	0	0	0	112.1	L17 E18 N23 H24 L25	L17-H21 WeakPolarHBondContact O-CB 3.44Å; L17-H21 PolarHBondContact O-N 3.41Å; E18-H21 PolarHBondContact O-N 3.33Å; H21-N23 PolarHBondContact O-N 3.13Å; H21-H24 PolarHBondContact O-N 3.24Å; H21-L25 WeakPolarHBondContact O-CG 3.48Å; H21-L25 PolarHBondContact O-N 3.2Å
22	N	70.4	Confident	70.4	Confident	101 Å²	101	94.6 Å²	94.6	54%	0.54	48%	0.475	S	S	.	.	H	α-helix	trans	-63.7	-39.8	176.9	-79.4	-60.2	0	0	0	112.6	E18 L25 K26	E18-N22 WeakPolarHBondContact O-CB 3.42Å; E18-N22 PolarHBondContact O-N 3.29Å; E18-N22 PolarHBondContact O-ND2 3.45Å; N22-L25 PolarHBondContact O-N 3.23Å; N22-K26 WeakPolarHBondContact O-CB 3.47Å; N22-K26 PolarHBondContact O-N 3.46Å
23	N	75.8	Confident	70.9	Confident	89 Å²	89	92.5 Å²	92.5	48%	0.476	48%	0.475	S	S	.	.	H	α-helix	trans	-63.4	-41.4	173.7	-78.3	-52.7	0	0	0	111.8	E19 I20 H21 K26 S27	E19-N23 WeakPolarHBondContact O-CB 3.38Å; E19-N23 PolarHBondContact O-N 3.04Å; E19-N23 PolarHBondContact O-ND2 3.32Å; I20-N23 PolarHBondContact O-N 3.31Å; H21-N23 PolarHBondContact O-N 3.13Å; N23-K26 PolarHBondContact O-N 3.48Å; N23-S27 PolarHBondContact O-N 2.96Å; N23-S27 PolarHBondContact O-OG 2.76Å
24	H	72.1	Confident	71.5	Confident	104 Å²	104	89.6 Å²	89.6	48%	0.481	47%	0.47	S	S	.	.	H	α-helix	trans	-62.6	-46.7	174	-80.8	-135.3	0	0	0	112	I20 H21 K26 S27 Y28	I20-H24 PolarHBondContact O-CD2 3.35Å; I20-H24 PolarHBondContact O-N 3.31Å; H21-H24 PolarHBondContact O-N 3.24Å; H24-K26 VanDerWaalsContact C-N 3.31Å; H24-K26 PolarHBondContact O-N 3.42Å; H24-S27 PolarHBondContact O-N 3.29Å; H24-Y28 HydrophobicContact CB-CE2 4.3Å; H24-Y28 WeakPolarHBondContact O-CD2 3.2Å; H24-Y28 PolarHBondContact O-N 3.34Å
25	L	68.5	Low	71.8	Confident	80 Å²	80	91.2 Å²	91.2	42%	0.419	48%	0.476	S	S	.	.	H	α-helix	trans	-57.3	-43.5	175.6	-73.8	176.5	0	0	0	111.8	H21 N22 Y28 A29	H21-L25 WeakPolarHBondContact O-CG 3.48Å; H21-L25 PolarHBondContact O-N 3.2Å; N22-L25 PolarHBondContact O-N 3.23Å; L25-Y28 PolarHBondContact O-N 3.28Å; L25-A29 PolarHBondContact O-N 3.06Å
26	K	76.6	Confident	72	Confident	123 Å²	123	90 Å²	90	54%	0.535	47%	0.468	S	S	.	.	H	α-helix	trans	-62.8	-46	176.5	-169.6	176	-175.7	-85.8	0	112	N22 N23 H24 Y28 A29 E30	N22-K26 WeakPolarHBondContact O-CB 3.47Å; N22-K26 PolarHBondContact O-N 3.46Å; N23-K26 PolarHBondContact O-N 3.48Å; H24-K26 VanDerWaalsContact C-N 3.31Å; H24-K26 PolarHBondContact O-N 3.42Å; K26-Y28 VanDerWaalsContact C-N 3.33Å; K26-Y28 PolarHBondContact O-N 2.97Å; K26-A29 WeakPolarHBondContact O-CB 3.28Å; K26-A29 PolarHBondContact O-N 3.04Å; K26-E30 IonicContact NZ-OE1 3.6Å; K26-E30 PolarHBondContact NZ-OE1 3.01Å; K26-E30 WeakPolarHBondContact O-CG 3.46Å; K26-E30 PolarHBondContact O-N 2.87Å
27	S	73	Confident	72.4	Confident	59 Å²	59	93 Å²	93	41%	0.413	48%	0.476	S	S	.	.	H	α-helix	trans	-62.2	-37.4	174.7	-63.3	0	0	0	0	112.6	N23 H24 I31	N23-S27 PolarHBondContact O-N 2.96Å; N23-S27 PolarHBondContact O-OG 2.76Å; H24-S27 PolarHBondContact O-N 3.29Å; S27-I31 WeakPolarHBondContact O-CB 3.36Å; S27-I31 WeakPolarHBondContact O-CD1 3.32Å; S27-I31 WeakPolarHBondContact O-CG1 3.25Å; S27-I31 PolarHBondContact O-N 2.86Å
28	Y	66.6	Low	72.8	Confident	141 Å²	141	94.5 Å²	94.5	55%	0.553	48%	0.483	S	S	*	.	H	α-helix	trans	-65.7	-38.7	173.8	-73.4	-55.9	0	0	0	112.4	H24 L25 K26 I31 I32	H24-Y28 HydrophobicContact CB-CE2 4.3Å; H24-Y28 WeakPolarHBondContact O-CD2 3.2Å; H24-Y28 PolarHBondContact O-N 3.34Å; L25-Y28 PolarHBondContact O-N 3.28Å; K26-Y28 VanDerWaalsContact C-N 3.33Å; K26-Y28 PolarHBondContact O-N 2.97Å; Y28-I31 PolarHBondContact O-N 3.4Å; Y28-I32 WeakPolarHBondContact O-CB 3.15Å; Y28-I32 WeakPolarHBondContact O-CD1 3.46Å; Y28-I32 VanDerWaalsContact O-CG1 3.22Å; Y28-I32 WeakPolarHBondContact O-CG1 3.49Å; Y28-I32 PolarHBondContact O-N 2.9Å
29	A	71.6	Confident	72.8	Confident	49 Å²	49	92.1 Å²	92.1	41%	0.405	48%	0.477	S	S	.	.	H	α-helix	trans	-63.2	-49.4	174	0	0	0	0	0	111.7	L25 K26 I31 I32 D33	L25-A29 PolarHBondContact O-N 3.06Å; K26-A29 WeakPolarHBondContact O-CB 3.28Å; K26-A29 PolarHBondContact O-N 3.04Å; A29-I31 VanDerWaalsContact C-N 3.28Å; A29-I31 PolarHBondContact O-N 2.86Å; A29-I32 PolarHBondContact O-N 2.79Å; A29-D33 PolarHBondContact O-N 3.03Å
30	E	76.9	Confident	72.9	Confident	93 Å²	93	92.3 Å²	92.3	44%	0.435	48%	0.478	S	S	.	.	H	α-helix	trans	-58.8	-38.4	177	-70.5	169.9	-176.2	0	0	112	K26 T34	K26-E30 IonicContact NZ-OE1 3.6Å; K26-E30 PolarHBondContact NZ-OE1 3.01Å; K26-E30 WeakPolarHBondContact O-CG 3.46Å; K26-E30 PolarHBondContact O-N 2.87Å; E30-T34 VanDerWaalsContact O-CB 3.3Å; E30-T34 WeakPolarHBondContact O-CB 3.28Å; E30-T34 PolarHBondContact O-N 2.96Å; E30-T34 PolarHBondContact O-OG1 2.89Å
31	I	73	Confident	73	Confident	88 Å²	88	91.3 Å²	91.3	45%	0.451	47%	0.473	S	S	.	.	H	α-helix	trans	-66.8	-42.1	173.1	-72.2	165.4	0	0	0	111.6	S27 Y28 A29 T34 I35	S27-I31 WeakPolarHBondContact O-CB 3.36Å; S27-I31 WeakPolarHBondContact O-CD1 3.32Å; S27-I31 WeakPolarHBondContact O-CG1 3.25Å; S27-I31 PolarHBondContact O-N 2.86Å; Y28-I31 PolarHBondContact O-N 3.4Å; A29-I31 VanDerWaalsContact C-N 3.28Å; A29-I31 PolarHBondContact O-N 2.86Å; I31-T34 PolarHBondContact O-N 2.57Å; I31-I35 HydrophobicContact CG2-CD1 3.65Å; I31-I35 HydrophobicContact CG2-CG1 4.4Å; I31-I35 WeakPolarHBondContact O-CB 3.45Å; I31-I35 WeakPolarHBondContact O-CG1 3.21Å; I31-I35 PolarHBondContact O-N 3.44Å
32	I	72.1	Confident	73.2	Confident	74 Å²	74	91.3 Å²	91.3	38%	0.379	47%	0.473	S	S	.	.	H	α-helix	trans	-65.6	-40.7	179.1	-75.2	165.2	0	0	0	111.4	Y28 A29 S36	Y28-I32 WeakPolarHBondContact O-CB 3.15Å; Y28-I32 WeakPolarHBondContact O-CD1 3.46Å; Y28-I32 VanDerWaalsContact O-CG1 3.22Å; Y28-I32 WeakPolarHBondContact O-CG1 3.49Å; Y28-I32 PolarHBondContact O-N 2.9Å; A29-I32 PolarHBondContact O-N 2.79Å; I32-S36 VanDerWaalsContact O-CB 3.29Å; I32-S36 WeakPolarHBondContact O-CB 3.42Å; I32-S36 PolarHBondContact O-N 2.96Å; I32-S36 PolarHBondContact O-OG 2.85Å
33	D	76.4	Confident	73.2	Confident	112 Å²	112	92 Å²	92	60%	0.599	47%	0.468	S	S	*	.	H	α-helix	trans	-69.4	-44.6	176.6	-74.8	-22.9	0	0	0	111.1	A29 I35 S36 E37	A29-D33 PolarHBondContact O-N 3.03Å; D33-I35 VanDerWaalsContact C-N 3.34Å; D33-I35 PolarHBondContact O-N 3.19Å; D33-S36 CarbonylContact O-C 3.59Å; D33-S36 WeakPolarHBondContact O-CA 3.45Å; D33-S36 WeakPolarHBondContact O-CB 3.48Å; D33-S36 PolarHBondContact O-N 2.65Å; D33-E37 PolarHBondContact O-N 2.56Å
34	T	77.1	Confident	73.1	Confident	88 Å²	88	93 Å²	93	54%	0.54	47%	0.47	S	S	.	.	H	α-helix	trans	-57.9	-44.3	173.9	-56.5	0	0	0	0	111.7	E30 I31 S36 E37 L38	E30-T34 VanDerWaalsContact O-CB 3.3Å; E30-T34 WeakPolarHBondContact O-CB 3.28Å; E30-T34 PolarHBondContact O-N 2.96Å; E30-T34 PolarHBondContact O-OG1 2.89Å; I31-T34 PolarHBondContact O-N 2.57Å; T34-S36 VanDerWaalsContact C-N 3.32Å; T34-S36 PolarHBondContact O-N 3.07Å; T34-E37 PolarHBondContact O-N 3.26Å; T34-L38 VanDerWaalsContact O-CB 3.27Å; T34-L38 WeakPolarHBondContact O-CB 3.3Å; T34-L38 PolarHBondContact O-N 3.37Å
35	I	71.4	Confident	73.2	Confident	88 Å²	88	94.7 Å²	94.7	45%	0.451	48%	0.476	S	S	.	.	H	α-helix	trans	-65.8	-35.6	175.4	-72.5	169.8	0	0	0	111.2	I31 D33 S39	I31-I35 HydrophobicContact CG2-CD1 3.65Å; I31-I35 HydrophobicContact CG2-CG1 4.4Å; I31-I35 WeakPolarHBondContact O-CB 3.45Å; I31-I35 WeakPolarHBondContact O-CG1 3.21Å; I31-I35 PolarHBondContact O-N 3.44Å; D33-I35 VanDerWaalsContact C-N 3.34Å; D33-I35 PolarHBondContact O-N 3.19Å; I35-S39 WeakPolarHBondContact O-CB 3.36Å; I35-S39 PolarHBondContact O-N 3.12Å
36	S	72.6	Confident	73.3	Confident	49 Å²	49	92 Å²	92	34%	0.343	46%	0.463	S	S	.	.	H	α-helix	trans	-69.3	-42	178.5	-64.1	0	0	0	0	111.9	I32 D33 T34 S39 H40	I32-S36 VanDerWaalsContact O-CB 3.29Å; I32-S36 WeakPolarHBondContact O-CB 3.42Å; I32-S36 PolarHBondContact O-N 2.96Å; I32-S36 PolarHBondContact O-OG 2.85Å; D33-S36 CarbonylContact O-C 3.59Å; D33-S36 WeakPolarHBondContact O-CA 3.45Å; D33-S36 WeakPolarHBondContact O-CB 3.48Å; D33-S36 PolarHBondContact O-N 2.65Å; T34-S36 VanDerWaalsContact C-N 3.32Å; T34-S36 PolarHBondContact O-N 3.07Å; S36-S39 PolarHBondContact O-N 2.8Å; S36-H40 WeakPolarHBondContact O-CB 3.46Å; S36-H40 PolarHBondContact O-N 2.91Å
37	E	77.6	Confident	73.2	Confident	123 Å²	123	92.8 Å²	92.8	58%	0.575	47%	0.466	S	S	*	.	H	α-helix	trans	-65.6	-48.4	173	-173.6	-179.7	-179	0	0	111.2	D33 T34 S39 H40 N41	D33-E37 PolarHBondContact O-N 2.56Å; T34-E37 PolarHBondContact O-N 3.26Å; E37-S39 PolarHBondContact O-N 3.27Å; E37-H40 WeakPolarHBondContact O-CA 3.35Å; E37-H40 WeakPolarHBondContact O-CB 3.44Å; E37-H40 PolarHBondContact O-N 2.93Å; E37-N41 WeakPolarHBondContact O-CB 3.47Å; E37-N41 PolarHBondContact O-N 3.37Å
38	L	71.9	Confident	73.1	Confident	125 Å²	125	93.3 Å²	93.3	65%	0.654	47%	0.47	S	S	*	.	H	α-helix	trans	-59.4	-37.9	176.6	-157.4	79.5	0	0	0	111.3	T34 H42	T34-L38 VanDerWaalsContact O-CB 3.27Å; T34-L38 WeakPolarHBondContact O-CB 3.3Å; T34-L38 PolarHBondContact O-N 3.37Å; L38-H42 WeakPolarHBondContact O-CB 3.32Å; L38-H42 PolarHBondContact O-N 2.96Å
39	S	70.1	Confident	73.1	Confident	43 Å²	43	88.6 Å²	88.6	30%	0.301	46%	0.46	S	S	.	.	H	α-helix	trans	-68	-33	173.8	-178.7	0	0	0	0	113.2	I35 S36 E37 R43	I35-S39 WeakPolarHBondContact O-CB 3.36Å; I35-S39 PolarHBondContact O-N 3.12Å; S36-S39 PolarHBondContact O-N 2.8Å; E37-S39 PolarHBondContact O-N 3.27Å; S39-R43 WeakPolarHBondContact O-CB 3.37Å; S39-R43 WeakPolarHBondContact O-CG 3.22Å; S39-R43 PolarHBondContact O-N 2.67Å; S39-R43 VanDerWaalsContact O-N 3.14Å; S39-R43 PolarHBondContact O-NE 2.86Å; S39-R43 PolarHBondContact OG-NE 3.35Å; S39-R43 PolarHBondContact OG-NH2 2.85Å
40	H	75	Confident	72.8	Confident	126 Å²	126	88.5 Å²	88.5	58%	0.583	45%	0.454	S	S	*	.	H	α-helix	trans	-71.6	-48.1	174.4	-171.7	81.3	0	0	0	111	S36 E37 H42 R43 Q44	S36-H40 WeakPolarHBondContact O-CB 3.46Å; S36-H40 PolarHBondContact O-N 2.91Å; E37-H40 WeakPolarHBondContact O-CA 3.35Å; E37-H40 WeakPolarHBondContact O-CB 3.44Å; E37-H40 PolarHBondContact O-N 2.93Å; H40-H42 PolarHBondContact O-N 3.35Å; H40-R43 WeakPolarHBondContact O-CB 3.28Å; H40-R43 PolarHBondContact O-N 2.78Å; H40-R43 VanDerWaalsContact O-N 3.11Å; H40-Q44 PolarHBondContact CD2-NE2 3.3Å; H40-Q44 VanDerWaalsContact CD2-NE2 3.32Å; H40-Q44 PolarHBondContact NE2-NE2 3.09Å; H40-Q44 PolarHBondContact O-N 3.04Å
41	N	74.5	Confident	72.4	Confident	75 Å²	75	87.9 Å²	87.9	40%	0.401	45%	0.454	S	S	.	.	H	α-helix	trans	-64.5	-40.1	178.9	-67.8	-16.5	0	0	0	111.4	E37 R43 Q44 F45	E37-N41 WeakPolarHBondContact O-CB 3.47Å; E37-N41 PolarHBondContact O-N 3.37Å; N41-R43 PolarHBondContact O-N 3.29Å; N41-Q44 PolarHBondContact O-N 3.09Å; N41-F45 WeakPolarHBondContact O-CB 3.44Å; N41-F45 PolarHBondContact O-N 3.33Å
42	H	73.3	Confident	72.1	Confident	87 Å²	87	87 Å²	87	40%	0.403	45%	0.453	S	S	.	.	H	α-helix	trans	-63.4	-38.7	171.5	-172.2	82.5	0	0	0	112.3	L38 H40 F45 V46	L38-H42 WeakPolarHBondContact O-CB 3.32Å; L38-H42 PolarHBondContact O-N 2.96Å; H40-H42 PolarHBondContact O-N 3.35Å; H42-F45 PolarHBondContact O-N 3.49Å; H42-V46 WeakPolarHBondContact NE2-CG2 3.45Å; H42-V46 WeakPolarHBondContact O-CB 3.36Å; H42-V46 VanDerWaalsContact O-CG2 3.32Å; H42-V46 WeakPolarHBondContact O-CG2 3.37Å; H42-V46 PolarHBondContact O-N 2.98Å
43	R	71.8	Confident	71.5	Confident	117 Å²	117	85.7 Å²	85.7	44%	0.442	45%	0.45	S	S	.	.	H	α-helix	trans	-65.7	-39.3	173.7	-85.9	174.6	-79.6	165.8	-6.3	112.7	S39 H40 N41 K47	S39-R43 WeakPolarHBondContact O-CB 3.37Å; S39-R43 WeakPolarHBondContact O-CG 3.22Å; S39-R43 PolarHBondContact O-N 2.67Å; S39-R43 VanDerWaalsContact O-N 3.14Å; S39-R43 PolarHBondContact O-NE 2.86Å; S39-R43 PolarHBondContact OG-NE 3.35Å; S39-R43 PolarHBondContact OG-NH2 2.85Å; H40-R43 WeakPolarHBondContact O-CB 3.28Å; H40-R43 PolarHBondContact O-N 2.78Å; H40-R43 VanDerWaalsContact O-N 3.11Å; N41-R43 PolarHBondContact O-N 3.29Å; R43-K47 VanDerWaalsContact O-CB 3.27Å; R43-K47 WeakPolarHBondContact O-CB 3.41Å; R43-K47 PolarHBondContact O-N 3.32Å
44	Q	73.7	Confident	70.9	Confident	108 Å²	108	85.2 Å²	85.2	51%	0.505	45%	0.447	S	S	.	.	H	α-helix	trans	-65	-44.8	172.7	-69.3	-161.1	39.2	0	0	111.8	H40 N41 K47 S48	H40-Q44 PolarHBondContact CD2-NE2 3.3Å; H40-Q44 VanDerWaalsContact CD2-NE2 3.32Å; H40-Q44 PolarHBondContact NE2-NE2 3.09Å; H40-Q44 PolarHBondContact O-N 3.04Å; N41-Q44 PolarHBondContact O-N 3.09Å; Q44-K47 PolarHBondContact O-N 3.41Å; Q44-S48 WeakPolarHBondContact O-CB 3.26Å; Q44-S48 PolarHBondContact O-N 3.31Å
45	F	74.6	Confident	70.2	Confident	141 Å²	141	90.2 Å²	90.2	62%	0.618	46%	0.461	S	S	*	.	H	α-helix	trans	-61.6	-49.9	177.7	178.4	-96.3	0	0	0	112	N41 H42 K47 S48 A49	N41-F45 WeakPolarHBondContact O-CB 3.44Å; N41-F45 PolarHBondContact O-N 3.33Å; H42-F45 PolarHBondContact O-N 3.49Å; F45-K47 VanDerWaalsContact C-N 3.33Å; F45-K47 PolarHBondContact O-N 2.9Å; F45-S48 PolarHBondContact O-N 2.82Å; F45-A49 WeakPolarHBondContact O-CB 3.4Å; F45-A49 PolarHBondContact O-N 2.83Å
46	V	70.2	Confident	69.5	Low	23 Å²	23	94.3 Å²	94.3	14%	0.139	48%	0.476	C	S	.	.	H	α-helix	trans	-61.7	-41.1	177.1	170.6	0	0	0	0	110.9	H42 A49 V50 F70 L74	H42-V46 WeakPolarHBondContact NE2-CG2 3.45Å; H42-V46 WeakPolarHBondContact O-CB 3.36Å; H42-V46 VanDerWaalsContact O-CG2 3.32Å; H42-V46 WeakPolarHBondContact O-CG2 3.37Å; H42-V46 PolarHBondContact O-N 2.98Å; V46-A49 PolarHBondContact O-N 2.98Å; V46-V50 HydrophobicContact CG1-CG2 4.31Å; V46-V50 WeakPolarHBondContact O-CB 3.5Å; V46-V50 VanDerWaalsContact O-CG2 3.27Å; V46-V50 WeakPolarHBondContact O-CG2 3.26Å; V46-V50 PolarHBondContact O-N 2.99Å; V46-F70 HydrophobicContact CG2-CE1 4.41Å; V46-L74 HydrophobicContact CG1-CD2 4.17Å
47	K	73.2	Confident	68.7	Low	139 Å²	139	94.4 Å²	94.4	60%	0.604	48%	0.476	S	S	*	.	H	α-helix	trans	-60.7	-49	174.2	-176.5	179.6	176	-173.2	0	111.4	R43 Q44 F45 A49 V50 D51	R43-K47 VanDerWaalsContact O-CB 3.27Å; R43-K47 WeakPolarHBondContact O-CB 3.41Å; R43-K47 PolarHBondContact O-N 3.32Å; Q44-K47 PolarHBondContact O-N 3.41Å; F45-K47 VanDerWaalsContact C-N 3.33Å; F45-K47 PolarHBondContact O-N 2.9Å; K47-A49 VanDerWaalsContact C-N 3.34Å; K47-A49 PolarHBondContact O-N 3.46Å; K47-V50 PolarHBondContact O-N 3.1Å; K47-D51 WeakPolarHBondContact CE-OD2 3.36Å; K47-D51 WeakPolarHBondContact O-CB 3.44Å; K47-D51 VanDerWaalsContact O-CG 3.23Å; K47-D51 PolarHBondContact O-N 3.22Å
48	S	72.1	Confident	67.7	Low	71 Å²	71	97.5 Å²	97.5	50%	0.497	49%	0.488	S	S	.	.	H	α-helix	trans	-61.3	-40.2	178.6	-174.6	0	0	0	0	112.7	Q44 F45 T52	Q44-S48 WeakPolarHBondContact O-CB 3.26Å; Q44-S48 PolarHBondContact O-N 3.31Å; F45-S48 PolarHBondContact O-N 2.82Å; S48-T52 VanDerWaalsContact O-CB 3.24Å; S48-T52 WeakPolarHBondContact O-CB 3.48Å; S48-T52 PolarHBondContact O-N 3.13Å; S48-T52 PolarHBondContact O-OG1 3.13Å
49	A	66.3	Low	67	Low	41 Å²	41	99.6 Å²	99.6	34%	0.339	50%	0.499	S	S	.	.	H	α-helix	trans	-65.1	-45.7	174.8	0	0	0	0	0	111.7	F45 V46 K47 T52 C53	F45-A49 WeakPolarHBondContact O-CB 3.4Å; F45-A49 PolarHBondContact O-N 2.83Å; V46-A49 PolarHBondContact O-N 2.98Å; K47-A49 VanDerWaalsContact C-N 3.34Å; K47-A49 PolarHBondContact O-N 3.46Å; A49-T52 PolarHBondContact O-N 3.12Å; A49-C53 WeakPolarHBondContact O-CB 3.43Å; A49-C53 PolarHBondContact O-N 3.35Å; A49-C53 PolarHBondContact O-SG 3.05Å; A49-C53 VanDerWaalsContact O-SG 3.33Å
50	V	65.7	Low	66.6	Low	47 Å²	47	101.7 Å²	101.7	29%	0.285	51%	0.507	S	S	.	.	H	α-helix	trans	-62.9	-46.9	176.1	167.9	0	0	0	0	111.4	V46 K47 T52 C53 L54 I67	V46-V50 HydrophobicContact CG1-CG2 4.31Å; V46-V50 WeakPolarHBondContact O-CB 3.5Å; V46-V50 VanDerWaalsContact O-CG2 3.27Å; V46-V50 WeakPolarHBondContact O-CG2 3.26Å; V46-V50 PolarHBondContact O-N 2.99Å; K47-V50 PolarHBondContact O-N 3.1Å; V50-T52 PolarHBondContact O-N 3.42Å; V50-C53 PolarHBondContact O-N 3.47Å; V50-L54 HydrophobicContact CG1-CD1 3.77Å; V50-L54 HydrophobicContact CG1-CG 4.35Å; V50-L54 WeakPolarHBondContact O-CB 3.49Å; V50-L54 VanDerWaalsContact O-CG 3.29Å; V50-L54 WeakPolarHBondContact O-CG 3.39Å; V50-L54 PolarHBondContact O-N 2.87Å; V50-I67 HydrophobicContact CG2-CG2 4.16Å
51	D	68.3	Low	66	Low	80 Å²	80	103.1 Å²	103.1	43%	0.428	51%	0.512	S	S	.	.	H	α-helix	trans	-61.5	-33.5	176.5	-69.6	-19.4	0	0	0	111.4	K47 K55	K47-D51 WeakPolarHBondContact CE-OD2 3.36Å; K47-D51 WeakPolarHBondContact O-CB 3.44Å; K47-D51 VanDerWaalsContact O-CG 3.23Å; K47-D51 PolarHBondContact O-N 3.22Å; D51-K55 WeakPolarHBondContact O-CB 3.26Å; D51-K55 PolarHBondContact O-N 3.29Å; D51-K55 VanDerWaalsContact O-N 3.15Å
52	T	65.8	Low	65.6	Low	70 Å²	70	107.1 Å²	107.1	43%	0.429	53%	0.526	S	S	.	.	H	α-helix	trans	-73.9	-40.5	175.6	-60.6	0	0	0	0	112.5	S48 A49 V50 K55 K56	S48-T52 VanDerWaalsContact O-CB 3.24Å; S48-T52 WeakPolarHBondContact O-CB 3.48Å; S48-T52 PolarHBondContact O-N 3.13Å; S48-T52 PolarHBondContact O-OG1 3.13Å; A49-T52 PolarHBondContact O-N 3.12Å; V50-T52 PolarHBondContact O-N 3.42Å; T52-K55 PolarHBondContact O-N 2.9Å; T52-K56 PolarHBondContact O-N 2.85Å
53	C	60.7	Low	65.2	Low	46 Å²	46	106.4 Å²	106.4	31%	0.311	52%	0.524	S	S	.	.	H	α-helix	trans	-66.1	-44	174.2	-71.6	0	0	0	0	111.4	A49 V50 K55 K56 C57 I67	A49-C53 WeakPolarHBondContact O-CB 3.43Å; A49-C53 PolarHBondContact O-N 3.35Å; A49-C53 PolarHBondContact O-SG 3.05Å; A49-C53 VanDerWaalsContact O-SG 3.33Å; V50-C53 PolarHBondContact O-N 3.47Å; C53-K55 PolarHBondContact O-N 3.37Å; C53-K56 PolarHBondContact O-N 3.41Å; C53-C57 PolarHBondContact O-N 2.98Å; C53-I67 HydrophobicContact CB-CD1 3.83Å
54	L	62.3	Low	65	Low	103 Å²	103	106 Å²	106	54%	0.539	53%	0.526	S	S	.	.	H	α-helix	trans	-60.5	-29.9	173.9	-73.5	168.6	0	0	0	112.7	V50	V50-L54 HydrophobicContact CG1-CD1 3.77Å; V50-L54 HydrophobicContact CG1-CG 4.35Å; V50-L54 WeakPolarHBondContact O-CB 3.49Å; V50-L54 VanDerWaalsContact O-CG 3.29Å; V50-L54 WeakPolarHBondContact O-CG 3.39Å; V50-L54 PolarHBondContact O-N 2.87Å
55	K	62.6	Low	64.9	Low	192 Å²	192	105.4 Å²	105.4	84%	0.835	52%	0.523	S	S	*	.	H	α-helix	trans	-76.3	-21.6	172.5	-101.9	-178.2	174.7	177.2	0	114.7	D51 T52 C53	D51-K55 WeakPolarHBondContact O-CB 3.26Å; D51-K55 PolarHBondContact O-N 3.29Å; D51-K55 VanDerWaalsContact O-N 3.15Å; T52-K55 PolarHBondContact O-N 2.9Å; C53-K55 PolarHBondContact O-N 3.37Å
56	K	57	Low	64.7	Low	174 Å²	174	102.4 Å²	102.4	76%	0.757	52%	0.517	S	S	*	.	H	α-helix	trans	-101.3	-32.1	-177.2	-76.5	-171.7	173.6	-175	0	113.9	T52 C53 K58	T52-K56 PolarHBondContact O-N 2.85Å; C53-K56 PolarHBondContact O-N 3.41Å; K56-K58 PolarHBondContact O-N 2.87Å
57	C	56.1	Low	64.9	Low	52 Å²	52	103.3 Å²	103.3	35%	0.351	52%	0.52	S	S	.	.			trans	-96.3	92.6	177.8	-75.7	0	0	0	0	111.6	C53 L63	C53-C57 PolarHBondContact O-N 2.98Å; C57-L63 VanDerWaalsContact SG-CD2 3.51Å
58	K	56.3	Low	64.9	Low	188 Å²	188	99.7 Å²	99.7	82%	0.817	51%	0.505	S	S	*	.	S	Bend	trans	-87.1	140.3	132.3	-69.6	-173.6	175.7	-175.6	0	107.3	K56	K56-K58 PolarHBondContact O-N 2.87Å
59	D	57.8	Low	65.1	Low	168 Å²	168	103.1 Å²	103.1	90%	0.898	51%	0.513	S	S	*	.	S	Bend	trans	68.1	31.6	166.4	-43.4	-34.6	0	0	0	118.2
60	D	60.4	Low	65.6	Low	87 Å²	87	106.5 Å²	106.5	47%	0.465	52%	0.521	S	S	.	.			trans	-124.4	112	151.8	-169.9	-18.6	0	0	0	111	K62	D60-K62 PolarHBondContact OD1-N 2.93Å
61	K	63.5	Low	66	Low	156 Å²	156	110.2 Å²	110.2	68%	0.678	53%	0.533	S	S	*	.	H	α-helix	trans	-74.6	-32.4	-177.6	-167.3	-175.9	-178.1	-154.3	0	112.8	F64 E65	K61-F64 PolarHBondContact O-N 3.27Å; K61-E65 WeakPolarHBondContact CE-OE1 3.21Å; K61-E65 IonicContact NZ-OE1 3.47Å; K61-E65 PolarHBondContact NZ-OE1 3.01Å; K61-E65 PolarHBondContact O-N 2.92Å
62	K	65.1	Low	66.4	Low	160 Å²	160	109.9 Å²	109.9	70%	0.696	53%	0.534	S	S	*	.	H	α-helix	trans	-74.3	-37.5	-169.4	-160.2	174.5	-174.1	179.3	0	111.5	D60 F64 E65 T66	D60-K62 PolarHBondContact OD1-N 2.93Å; K62-F64 VanDerWaalsContact C-N 3.33Å; K62-F64 PolarHBondContact O-N 3.3Å; K62-E65 PolarHBondContact O-N 2.9Å; K62-T66 PolarHBondContact O-N 3.39Å; K62-T66 PolarHBondContact O-OG1 2.81Å
63	L	66.6	Low	66.9	Low	71 Å²	71	109.4 Å²	109.4	37%	0.372	53%	0.529	S	S	.	.	H	α-helix	trans	-64.4	-37.5	173.2	-170.8	70.2	0	0	0	112	C57 T66 I67	C57-L63 VanDerWaalsContact SG-CD2 3.51Å; L63-T66 PolarHBondContact O-N 3.11Å; L63-I67 HydrophobicContact CD2-CD1 4.39Å; L63-I67 HydrophobicContact CG-CD1 3.99Å; L63-I67 VanDerWaalsContact O-CG1 3.31Å; L63-I67 WeakPolarHBondContact O-CG1 3.45Å; L63-I67 PolarHBondContact O-N 3.06Å
64	F	67.4	Low	67.7	Low	110 Å²	110	109.3 Å²	109.3	48%	0.482	53%	0.525	S	S	.	.	H	α-helix	trans	-63.5	-44.4	178.1	-177.2	-92.6	0	0	0	111.8	K61 K62 I67 Q68	K61-F64 PolarHBondContact O-N 3.27Å; K62-F64 VanDerWaalsContact C-N 3.33Å; K62-F64 PolarHBondContact O-N 3.3Å; F64-I67 PolarHBondContact O-N 2.88Å; F64-Q68 HydrophobicContact CD1-CG 4.21Å; F64-Q68 HydrophobicContact CE1-CG 3.86Å; F64-Q68 HydrophobicContact CZ-CG 4.2Å; F64-Q68 WeakPolarHBondContact O-CG 3.26Å; F64-Q68 PolarHBondContact O-N 2.86Å
65	E	70.5	Confident	68.3	Low	94 Å²	94	108.4 Å²	108.4	44%	0.439	52%	0.518	S	S	.	.	H	α-helix	trans	-59.4	-49.2	177.1	-71.4	167.8	178.5	0	0	111	K61 K62 I67 Q68 E69	K61-E65 WeakPolarHBondContact CE-OE1 3.21Å; K61-E65 IonicContact NZ-OE1 3.47Å; K61-E65 PolarHBondContact NZ-OE1 3.01Å; K61-E65 PolarHBondContact O-N 2.92Å; K62-E65 PolarHBondContact O-N 2.9Å; E65-I67 VanDerWaalsContact C-N 3.32Å; E65-I67 PolarHBondContact O-N 3.12Å; E65-Q68 PolarHBondContact O-N 3.04Å; E65-Q68 VanDerWaalsContact O-N 3.12Å; E65-E69 PolarHBondContact O-N 2.96Å
66	T	71.5	Confident	69.1	Low	79 Å²	79	106.1 Å²	106.1	49%	0.485	51%	0.508	S	S	.	.	H	α-helix	trans	-60	-36.6	175.8	-53.3	0	0	0	0	113.3	K62 L63 E69 F70	K62-T66 PolarHBondContact O-N 3.39Å; K62-T66 PolarHBondContact O-OG1 2.81Å; L63-T66 PolarHBondContact O-N 3.11Å; T66-E69 PolarHBondContact O-N 2.91Å; T66-F70 PolarHBondContact O-N 3.37Å
67	I	73.2	Confident	70	Confident	41 Å²	41	103.8 Å²	103.8	21%	0.21	50%	0.498	C	S	.	.	H	α-helix	trans	-67.7	-37	176.4	-72.2	169.7	0	0	0	111.6	V50 C53 L63 F64 E65 K71	V50-I67 HydrophobicContact CG2-CG2 4.16Å; C53-I67 HydrophobicContact CB-CD1 3.83Å; L63-I67 HydrophobicContact CD2-CD1 4.39Å; L63-I67 HydrophobicContact CG-CD1 3.99Å; L63-I67 VanDerWaalsContact O-CG1 3.31Å; L63-I67 WeakPolarHBondContact O-CG1 3.45Å; L63-I67 PolarHBondContact O-N 3.06Å; F64-I67 PolarHBondContact O-N 2.88Å; E65-I67 VanDerWaalsContact C-N 3.32Å; E65-I67 PolarHBondContact O-N 3.12Å; I67-K71 VanDerWaalsContact O-CB 3.27Å; I67-K71 WeakPolarHBondContact O-CB 3.47Å; I67-K71 PolarHBondContact O-N 3.3Å
68	Q	72.9	Confident	71	Confident	64 Å²	64	106 Å²	106	30%	0.299	50%	0.501	S	S	.	.	H	α-helix	trans	-70.2	-36.7	175.2	-60.1	-56	-25.3	0	0	112.2	F64 E65 K71 T72	F64-Q68 HydrophobicContact CD1-CG 4.21Å; F64-Q68 HydrophobicContact CE1-CG 3.86Å; F64-Q68 HydrophobicContact CZ-CG 4.2Å; F64-Q68 WeakPolarHBondContact O-CG 3.26Å; F64-Q68 PolarHBondContact O-N 2.86Å; E65-Q68 PolarHBondContact O-N 3.04Å; E65-Q68 VanDerWaalsContact O-N 3.12Å; Q68-K71 PolarHBondContact O-N 3.06Å; Q68-T72 WeakPolarHBondContact O-CB 3.42Å; Q68-T72 PolarHBondContact O-N 3.39Å; Q68-T72 PolarHBondContact O-OG1 3.45Å
69	E	77.2	Confident	72.1	Confident	142 Å²	142	101.7 Å²	101.7	66%	0.664	49%	0.486	S	S	*	.	H	α-helix	trans	-60.9	-50.3	173.1	-70.5	-173.7	146.2	0	0	111.4	E65 T66 K71 T72 D73	E65-E69 PolarHBondContact O-N 2.96Å; T66-E69 PolarHBondContact O-N 2.91Å; E69-K71 VanDerWaalsContact C-N 3.34Å; E69-K71 PolarHBondContact O-N 2.9Å; E69-T72 WeakPolarHBondContact O-CB 3.29Å; E69-T72 PolarHBondContact O-N 2.85Å; E69-D73 PolarHBondContact O-N 2.83Å
70	F	76.3	Confident	73.1	Confident	112 Å²	112	95.7 Å²	95.7	49%	0.491	46%	0.459	S	S	.	.	H	α-helix	trans	-61	-41.7	178.6	-171.7	-94.8	0	0	0	112.3	V46 T66 T72 D73 L74	V46-F70 HydrophobicContact CG2-CE1 4.41Å; T66-F70 PolarHBondContact O-N 3.37Å; F70-T72 VanDerWaalsContact C-N 3.29Å; F70-T72 PolarHBondContact O-N 3.4Å; F70-D73 PolarHBondContact O-N 2.58Å; F70-L74 WeakPolarHBondContact O-CB 3.49Å; F70-L74 PolarHBondContact O-N 2.96Å
71	K	75.3	Confident	73.9	Confident	125 Å²	125	96.3 Å²	96.3	54%	0.543	46%	0.462	S	S	.	.	H	α-helix	trans	-60	-38.1	173.3	-179.9	-173.1	173.4	-168.9	0	112.2	I67 Q68 E69 E75	I67-K71 VanDerWaalsContact O-CB 3.27Å; I67-K71 WeakPolarHBondContact O-CB 3.47Å; I67-K71 PolarHBondContact O-N 3.3Å; Q68-K71 PolarHBondContact O-N 3.06Å; E69-K71 VanDerWaalsContact C-N 3.34Å; E69-K71 PolarHBondContact O-N 2.9Å; K71-E75 PolarHBondContact O-N 3.03Å; K71-E75 VanDerWaalsContact O-N 3.11Å
72	T	75.8	Confident	74.6	Confident	74 Å²	74	96 Å²	96	45%	0.454	46%	0.461	S	S	.	.	H	α-helix	trans	-70.8	-40.4	179.5	-56.2	0	0	0	0	111.7	Q68 E69 F70 K76	Q68-T72 WeakPolarHBondContact O-CB 3.42Å; Q68-T72 PolarHBondContact O-N 3.39Å; Q68-T72 PolarHBondContact O-OG1 3.45Å; E69-T72 WeakPolarHBondContact O-CB 3.29Å; E69-T72 PolarHBondContact O-N 2.85Å; F70-T72 VanDerWaalsContact C-N 3.29Å; F70-T72 PolarHBondContact O-N 3.4Å; T72-K76 WeakPolarHBondContact O-CG 3.46Å; T72-K76 PolarHBondContact O-N 3.02Å
73	D	76.9	Confident	75.4	Confident	60 Å²	60	94.6 Å²	94.6	32%	0.321	46%	0.457	S	S	.	.	H	α-helix	trans	-67.6	-38.9	173.2	179.1	59.2	0	0	0	112.4	E69 F70 E75 K76 K77	E69-D73 PolarHBondContact O-N 2.83Å; F70-D73 PolarHBondContact O-N 2.58Å; D73-E75 VanDerWaalsContact C-N 3.34Å; D73-E75 PolarHBondContact O-N 3.21Å; D73-K76 PolarHBondContact O-N 2.9Å; D73-K77 WeakPolarHBondContact O-CB 3.36Å; D73-K77 WeakPolarHBondContact O-CG 3.34Å; D73-K77 PolarHBondContact O-N 3.43Å; D73-K77 WeakPolarHBondContact OD1-CE 3.35Å; D73-K77 IonicContact OD1-NZ 2.9Å; D73-K77 WeakPolarHBondContact OD2-CE 3.29Å; D73-K77 IonicContact OD2-NZ 3.27Å; D73-K77 PolarHBondContact OD2-NZ 2.88Å
74	L	76.5	Confident	76.1	Confident	44 Å²	44	98.4 Å²	98.4	23%	0.23	47%	0.47	C	S	.	.	H	α-helix	trans	-60.5	-42.1	175.3	-166.7	75.9	0	0	0	111.9	V46 F70 K77 K78	V46-L74 HydrophobicContact CG1-CD2 4.17Å; F70-L74 WeakPolarHBondContact O-CB 3.49Å; F70-L74 PolarHBondContact O-N 2.96Å; L74-K77 PolarHBondContact O-N 2.81Å; L74-K78 VanDerWaalsContact O-CB 3.24Å; L74-K78 WeakPolarHBondContact O-CB 3.29Å; L74-K78 PolarHBondContact O-N 3.21Å
75	E	75.1	Confident	76.5	Confident	84 Å²	84	101.6 Å²	101.6	39%	0.393	48%	0.479	S	S	.	.	H	α-helix	trans	-69	-38.9	175.4	-77.4	-62.8	156.3	0	0	112.8	K71 D73 K77 K78 M79	K71-E75 PolarHBondContact O-N 3.03Å; K71-E75 VanDerWaalsContact O-N 3.11Å; D73-E75 VanDerWaalsContact C-N 3.34Å; D73-E75 PolarHBondContact O-N 3.21Å; E75-K77 PolarHBondContact O-N 3.02Å; E75-K78 PolarHBondContact O-N 3.15Å; E75-K78 IonicContact OE1-NZ 2.82Å; E75-K78 PolarHBondContact OE1-NZ 2.91Å; E75-K78 IonicContact OE2-NZ 3.05Å; E75-K78 PolarHBondContact OE2-NZ 2.91Å; E75-M79 WeakPolarHBondContact O-CG 3.31Å; E75-M79 PolarHBondContact O-N 3.22Å
76	K	79	Confident	77.1	Confident	144 Å²	144	105.8 Å²	105.8	63%	0.626	49%	0.491	S	S	*	.	H	α-helix	trans	-58	-48.2	171.1	-74.5	173.2	179.5	177.6	0	111.6	T72 D73 K78 M79 A80	T72-K76 WeakPolarHBondContact O-CG 3.46Å; T72-K76 PolarHBondContact O-N 3.02Å; D73-K76 PolarHBondContact O-N 2.9Å; K76-K78 PolarHBondContact O-N 3.4Å; K76-M79 PolarHBondContact O-N 2.89Å; K76-A80 PolarHBondContact O-N 2.88Å
77	K	77.3	Confident	77.7	Confident	125 Å²	125	104.8 Å²	104.8	54%	0.543	49%	0.491	S	S	.	.	H	α-helix	trans	-62.5	-41.4	177.1	-75.6	169.1	177.7	165.9	0	111.9	D73 L74 E75 M79 A80 L81	D73-K77 WeakPolarHBondContact O-CB 3.36Å; D73-K77 WeakPolarHBondContact O-CG 3.34Å; D73-K77 PolarHBondContact O-N 3.43Å; D73-K77 WeakPolarHBondContact OD1-CE 3.35Å; D73-K77 IonicContact OD1-NZ 2.9Å; D73-K77 WeakPolarHBondContact OD2-CE 3.29Å; D73-K77 IonicContact OD2-NZ 3.27Å; D73-K77 PolarHBondContact OD2-NZ 2.88Å; L74-K77 PolarHBondContact O-N 2.81Å; E75-K77 PolarHBondContact O-N 3.02Å; K77-M79 PolarHBondContact O-N 2.97Å; K77-A80 PolarHBondContact O-N 3.39Å; K77-L81 WeakPolarHBondContact O-CB 3.5Å; K77-L81 PolarHBondContact O-N 2.72Å
78	K	76.6	Confident	78	Confident	97 Å²	97	106.5 Å²	106.5	42%	0.422	50%	0.5	S	S	.	.	H	α-helix	trans	-62.2	-38	175.4	169.5	167.5	157.6	-104.9	0	112.8	L74 E75 K76 K82	L74-K78 VanDerWaalsContact O-CB 3.24Å; L74-K78 WeakPolarHBondContact O-CB 3.29Å; L74-K78 PolarHBondContact O-N 3.21Å; E75-K78 PolarHBondContact O-N 3.15Å; E75-K78 IonicContact OE1-NZ 2.82Å; E75-K78 PolarHBondContact OE1-NZ 2.91Å; E75-K78 IonicContact OE2-NZ 3.05Å; E75-K78 PolarHBondContact OE2-NZ 2.91Å; K76-K78 PolarHBondContact O-N 3.4Å; K78-K82 PolarHBondContact O-N 3.26Å; K78-K82 VanDerWaalsContact O-N 3.11Å
79	M	79.8	Confident	78.3	Confident	99 Å²	99	106.4 Å²	106.4	49%	0.488	51%	0.506	S	S	.	.	H	α-helix	trans	-67.5	-49	173.3	-72.4	-63.6	-68.8	0	0	111.9	E75 K76 K77 L81 K82 E83	E75-M79 WeakPolarHBondContact O-CG 3.31Å; E75-M79 PolarHBondContact O-N 3.22Å; K76-M79 PolarHBondContact O-N 2.89Å; K77-M79 PolarHBondContact O-N 2.97Å; M79-L81 PolarHBondContact O-N 2.92Å; M79-K82 WeakPolarHBondContact O-CA 3.49Å; M79-K82 WeakPolarHBondContact O-CB 3.16Å; M79-K82 PolarHBondContact O-N 2.94Å; M79-E83 PolarHBondContact O-N 3.13Å
80	A	78.9	Confident	78.6	Confident	42 Å²	42	103.8 Å²	103.8	35%	0.347	50%	0.497	S	S	.	.	H	α-helix	trans	-60.5	-32.6	176.8	0	0	0	0	0	113.1	K76 K77 K84	K76-A80 PolarHBondContact O-N 2.88Å; K77-A80 PolarHBondContact O-N 3.39Å; A80-K84 WeakPolarHBondContact O-CG 3.21Å; A80-K84 PolarHBondContact O-N 2.64Å
81	L	76.1	Confident	79	Confident	100 Å²	100	103.7 Å²	103.7	52%	0.524	50%	0.499	S	S	.	.	H	α-helix	trans	-71.9	-34.9	174.9	-143.7	161.6	0	0	0	111.5	K77 M79 R85	K77-L81 WeakPolarHBondContact O-CB 3.5Å; K77-L81 PolarHBondContact O-N 2.72Å; M79-L81 PolarHBondContact O-N 2.92Å; L81-R85 WeakPolarHBondContact O-CB 3.15Å; L81-R85 PolarHBondContact O-N 3.21Å
82	K	78.2	Confident	79	Confident	150 Å²	150	102.3 Å²	102.3	65%	0.652	50%	0.496	S	S	*	.	H	α-helix	trans	-65.7	-40.8	172.1	-171.6	-175.4	178.3	-172.8	0	111.8	K78 M79 R85 R86	K78-K82 PolarHBondContact O-N 3.26Å; K78-K82 VanDerWaalsContact O-N 3.11Å; M79-K82 WeakPolarHBondContact O-CA 3.49Å; M79-K82 WeakPolarHBondContact O-CB 3.16Å; M79-K82 PolarHBondContact O-N 2.94Å; K82-R85 PolarHBondContact O-N 3.1Å; K82-R86 PolarHBondContact O-N 2.91Å
83	E	82.6	Confident	79.3	Confident	129 Å²	129	102 Å²	102	60%	0.603	50%	0.497	S	S	*	.	H	α-helix	trans	-64.2	-47.1	175.1	-70.6	168.9	167.6	0	0	111.5	M79 R85 R86 A87	M79-E83 PolarHBondContact O-N 3.13Å; E83-R85 VanDerWaalsContact C-N 3.33Å; E83-R85 PolarHBondContact O-N 3.13Å; E83-R86 WeakPolarHBondContact O-CB 3.29Å; E83-R86 PolarHBondContact O-N 3.27Å; E83-R86 VanDerWaalsContact O-N 3.08Å; E83-A87 PolarHBondContact O-N 2.99Å
84	K	81.6	Confident	79.6	Confident	151 Å²	151	104 Å²	104	66%	0.657	50%	0.504	S	S	*	.	H	α-helix	trans	-59.6	-40.7	173.9	-75.2	-177.4	176.4	-171.6	0	112.7	A80 R86 A87 I88	A80-K84 WeakPolarHBondContact O-CG 3.21Å; A80-K84 PolarHBondContact O-N 2.64Å; K84-R86 VanDerWaalsContact C-N 3.29Å; K84-R86 PolarHBondContact O-N 3.27Å; K84-A87 PolarHBondContact O-N 3.42Å; K84-I88 WeakPolarHBondContact O-CG1 3.38Å; K84-I88 PolarHBondContact O-N 2.74Å
85	R	76.4	Confident	79.7	Confident	178 Å²	178	105.1 Å²	105.1	67%	0.672	51%	0.512	S	S	*	.	H	α-helix	trans	-63	-35.3	174.8	-171.7	177	-178	-179.7	3.7	112.1	L81 K82 E83 S89	L81-R85 WeakPolarHBondContact O-CB 3.15Å; L81-R85 PolarHBondContact O-N 3.21Å; K82-R85 PolarHBondContact O-N 3.1Å; E83-R85 VanDerWaalsContact C-N 3.33Å; E83-R85 PolarHBondContact O-N 3.13Å; R85-S89 PolarHBondContact O-N 2.87Å
86	R	81.4	Confident	79.8	Confident	181 Å²	181	107.4 Å²	107.4	68%	0.683	52%	0.523	S	S	*	.	H	α-helix	trans	-65.3	-52.8	174.3	-164	-172.9	-175.4	161.9	5.3	111.1	K82 E83 K84 I88 S89 D90	K82-R86 PolarHBondContact O-N 2.91Å; E83-R86 WeakPolarHBondContact O-CB 3.29Å; E83-R86 PolarHBondContact O-N 3.27Å; E83-R86 VanDerWaalsContact O-N 3.08Å; K84-R86 VanDerWaalsContact C-N 3.29Å; K84-R86 PolarHBondContact O-N 3.27Å; R86-I88 VanDerWaalsContact C-N 3.26Å; R86-I88 PolarHBondContact O-N 3.43Å; R86-S89 CarbonylContact O-C 3.59Å; R86-S89 WeakPolarHBondContact O-CA 3.49Å; R86-S89 VanDerWaalsContact O-CB 3.28Å; R86-S89 WeakPolarHBondContact O-CB 3.36Å; R86-S89 PolarHBondContact O-N 3.15Å; R86-D90 VanDerWaalsContact O-CG 3.23Å; R86-D90 PolarHBondContact O-N 2.84Å
87	A	84.8	Confident	79.8	Confident	59 Å²	59	106 Å²	106	49%	0.488	52%	0.518	S	S	.	.	H	α-helix	trans	-57.4	-36.3	179.4	0	0	0	0	0	113.4	E83 K84 M91	E83-A87 PolarHBondContact O-N 2.99Å; K84-A87 PolarHBondContact O-N 3.42Å; A87-M91 VanDerWaalsContact O-CB 3.3Å; A87-M91 WeakPolarHBondContact O-CB 3.49Å; A87-M91 PolarHBondContact O-N 2.74Å
88	I	78.6	Confident	79.9	Confident	77 Å²	77	105.2 Å²	105.2	40%	0.395	52%	0.515	S	S	.	.	H	α-helix	trans	-64.8	-42.6	172.2	-68.2	165.4	0	0	0	111.2	K84 R86 M91 M92	K84-I88 WeakPolarHBondContact O-CG1 3.38Å; K84-I88 PolarHBondContact O-N 2.74Å; R86-I88 VanDerWaalsContact C-N 3.26Å; R86-I88 PolarHBondContact O-N 3.43Å; I88-M91 PolarHBondContact O-N 3.41Å; I88-M92 WeakPolarHBondContact O-CG 3.14Å; I88-M92 PolarHBondContact O-N 3.28Å
89	S	80.8	Confident	80	Confident	61 Å²	61	104.9 Å²	104.9	43%	0.427	52%	0.515	S	S	.	.	H	α-helix	trans	-64.2	-41.9	176.8	-161.7	0	0	0	0	112.5	R85 R86 M92 S93	R85-S89 PolarHBondContact O-N 2.87Å; R86-S89 CarbonylContact O-C 3.59Å; R86-S89 WeakPolarHBondContact O-CA 3.49Å; R86-S89 VanDerWaalsContact O-CB 3.28Å; R86-S89 WeakPolarHBondContact O-CB 3.36Å; R86-S89 PolarHBondContact O-N 3.15Å; S89-M92 PolarHBondContact O-N 3.38Å; S89-S93 PolarHBondContact O-N 3.28Å; S89-S93 PolarHBondContact O-OG 2.76Å
90	D	83.4	Confident	80	Confident	88 Å²	88	106.2 Å²	106.2	47%	0.471	52%	0.522	S	S	.	.	H	α-helix	trans	-65.3	-42.5	179	-55.8	-33.6	0	0	0	110.1	R86 S93 E94	R86-D90 VanDerWaalsContact O-CG 3.23Å; R86-D90 PolarHBondContact O-N 2.84Å; D90-S93 WeakPolarHBondContact O-CB 3.5Å; D90-S93 PolarHBondContact O-N 2.82Å; D90-E94 PolarHBondContact O-N 3.36Å
91	M	83.2	Confident	80.2	Confident	109 Å²	109	108.9 Å²	108.9	54%	0.537	53%	0.527	S	S	.	.	H	α-helix	trans	-65	-36.9	175.6	-175.9	-178.4	69.5	0	0	113.4	A87 I88 E94 V95	A87-M91 VanDerWaalsContact O-CB 3.3Å; A87-M91 WeakPolarHBondContact O-CB 3.49Å; A87-M91 PolarHBondContact O-N 2.74Å; I88-M91 PolarHBondContact O-N 3.41Å; M91-E94 PolarHBondContact O-N 3.45Å; M91-V95 WeakPolarHBondContact O-CG2 2.79Å; M91-V95 PolarHBondContact O-N 3.14Å; M91-V95 VanDerWaalsContact O-N 3.09Å
92	M	76.3	Confident	80.5	Confident	97 Å²	97	108.6 Å²	108.6	48%	0.478	52%	0.521	S	S	.	.	H	α-helix	trans	-65	-39.5	175.4	-73.2	-169.1	-50.4	0	0	111.9	I88 S89 V95 Q96	I88-M92 WeakPolarHBondContact O-CG 3.14Å; I88-M92 PolarHBondContact O-N 3.28Å; S89-M92 PolarHBondContact O-N 3.38Å; M92-V95 PolarHBondContact O-N 2.78Å; M92-Q96 WeakPolarHBondContact O-CG 3.25Å; M92-Q96 PolarHBondContact O-N 3.37Å
93	S	81.5	Confident	80.5	Confident	68 Å²	68	107.5 Å²	107.5	48%	0.476	52%	0.519	S	S	.	.	H	α-helix	trans	-61	-43.7	174.3	-55.7	0	0	0	0	111.7	S89 D90 V95 Q96 E97	S89-S93 PolarHBondContact O-N 3.28Å; S89-S93 PolarHBondContact O-OG 2.76Å; D90-S93 WeakPolarHBondContact O-CB 3.5Å; D90-S93 PolarHBondContact O-N 2.82Å; S93-V95 VanDerWaalsContact C-N 3.29Å; S93-V95 PolarHBondContact O-N 3.2Å; S93-Q96 PolarHBondContact O-N 2.6Å; S93-E97 PolarHBondContact O-N 3.03Å
94	E	84.4	Confident	80.5	Confident	101 Å²	101	106.5 Å²	106.5	47%	0.472	52%	0.518	S	S	.	.	H	α-helix	trans	-64.5	-31.5	177.9	-162.9	-167.8	163.4	0	0	112.6	D90 M91 K98	D90-E94 PolarHBondContact O-N 3.36Å; M91-E94 PolarHBondContact O-N 3.45Å; E94-K98 WeakPolarHBondContact O-CD 3.44Å; E94-K98 VanDerWaalsContact O-CG 3.31Å; E94-K98 WeakPolarHBondContact O-CG 3.41Å; E94-K98 PolarHBondContact O-N 3.37Å; E94-K98 WeakPolarHBondContact OE1-CE 3.48Å; E94-K98 IonicContact OE1-NZ 2.68Å; E94-K98 PolarHBondContact OE1-NZ 3.2Å
95	V	78.7	Confident	80.7	Confident	67 Å²	67	104.1 Å²	104.1	41%	0.406	51%	0.511	S	S	.	.	H	α-helix	trans	-69.4	-49	172.1	170.9	0	0	0	0	110.7	M91 M92 S93 E97 K98 E99	M91-V95 WeakPolarHBondContact O-CG2 2.79Å; M91-V95 PolarHBondContact O-N 3.14Å; M91-V95 VanDerWaalsContact O-N 3.09Å; M92-V95 PolarHBondContact O-N 2.78Å; S93-V95 VanDerWaalsContact C-N 3.29Å; S93-V95 PolarHBondContact O-N 3.2Å; V95-E97 VanDerWaalsContact C-N 3.31Å; V95-E97 PolarHBondContact O-N 3.27Å; V95-K98 PolarHBondContact O-N 3.28Å; V95-K98 VanDerWaalsContact O-N 3.11Å; V95-E99 HydrophobicContact CG1-CG 4.46Å; V95-E99 PolarHBondContact O-N 3.44Å
96	Q	76.6	Confident	81.1	Confident	132 Å²	132	100.1 Å²	100.1	62%	0.617	50%	0.502	S	S	*	.	H	α-helix	trans	-60.6	-38.4	179.7	-71.7	-174.6	-44.7	0	0	112.7	M92 S93 K98 E99 M100	M92-Q96 WeakPolarHBondContact O-CG 3.25Å; M92-Q96 PolarHBondContact O-N 3.37Å; S93-Q96 PolarHBondContact O-N 2.6Å; Q96-K98 PolarHBondContact O-N 3.05Å; Q96-E99 PolarHBondContact O-N 3.27Å; Q96-M100 PolarHBondContact O-N 2.88Å
97	E	79.4	Confident	81.2	Confident	114 Å²	114	96.5 Å²	96.5	53%	0.533	50%	0.496	S	S	.	.	H	α-helix	trans	-62.6	-41.6	175	-166.4	-176	163.1	0	0	111.8	S93 V95 M100 Q101	S93-E97 PolarHBondContact O-N 3.03Å; V95-E97 VanDerWaalsContact C-N 3.31Å; V95-E97 PolarHBondContact O-N 3.27Å; E97-M100 PolarHBondContact O-N 3.42Å; E97-Q101 WeakPolarHBondContact O-CG 3.26Å; E97-Q101 PolarHBondContact O-N 2.93Å; E97-Q101 PolarHBondContact OE1-NE2 3.09Å
98	K	79.5	Confident	81.3	Confident	110 Å²	110	100.3 Å²	100.3	48%	0.478	50%	0.501	S	S	.	.	H	α-helix	trans	-71.3	-30.5	177.5	-71	170.1	-171.9	170.3	0	113.2	E94 V95 Q96 K102	E94-K98 WeakPolarHBondContact O-CD 3.44Å; E94-K98 VanDerWaalsContact O-CG 3.31Å; E94-K98 WeakPolarHBondContact O-CG 3.41Å; E94-K98 PolarHBondContact O-N 3.37Å; E94-K98 WeakPolarHBondContact OE1-CE 3.48Å; E94-K98 IonicContact OE1-NZ 2.68Å; E94-K98 PolarHBondContact OE1-NZ 3.2Å; V95-K98 PolarHBondContact O-N 3.28Å; V95-K98 VanDerWaalsContact O-N 3.11Å; Q96-K98 PolarHBondContact O-N 3.05Å; K98-K102 WeakPolarHBondContact O-CB 3.12Å; K98-K102 PolarHBondContact O-N 3.4Å
99	E	77	Confident	81.7	Confident	90 Å²	90	100.6 Å²	100.6	42%	0.421	50%	0.502	S	S	.	.	H	α-helix	trans	-68.4	-40.7	172.2	-69.9	-166	123.2	0	0	111.8	V95 Q96 K102 E103	V95-E99 HydrophobicContact CG1-CG 4.46Å; V95-E99 PolarHBondContact O-N 3.44Å; Q96-E99 PolarHBondContact O-N 3.27Å; E99-K102 WeakPolarHBondContact O-CB 3.27Å; E99-K102 PolarHBondContact O-N 3.38Å; E99-E103 PolarHBondContact O-N 3.25Å
100	M	80.4	Confident	81.9	Confident	126 Å²	126	102.8 Å²	102.8	62%	0.621	51%	0.506	S	S	*	.	H	α-helix	trans	-60.5	-46.8	173.3	-164.3	-173.7	-51.5	0	0	111.6	Q96 E97 K102 E103 D104	Q96-M100 PolarHBondContact O-N 2.88Å; E97-M100 PolarHBondContact O-N 3.42Å; M100-K102 VanDerWaalsContact C-N 3.29Å; M100-K102 PolarHBondContact O-N 3.27Å; M100-E103 PolarHBondContact O-N 3.49Å; M100-E103 VanDerWaalsContact O-N 3.16Å; M100-D104 PolarHBondContact O-N 2.73Å
101	Q	83.3	Confident	82	Confident	98 Å²	98	106.6 Å²	106.6	46%	0.458	51%	0.514	S	S	.	.	H	α-helix	trans	-61.8	-34	176	-68.7	172.8	15.7	0	0	112.9	E97 I105	E97-Q101 WeakPolarHBondContact O-CG 3.26Å; E97-Q101 PolarHBondContact O-N 2.93Å; E97-Q101 PolarHBondContact OE1-NE2 3.09Å; Q101-I105 WeakPolarHBondContact O-CD1 3.4Å; Q101-I105 VanDerWaalsContact O-CG1 3.26Å; Q101-I105 WeakPolarHBondContact O-CG1 3.37Å; Q101-I105 PolarHBondContact O-N 3.01Å
102	K	82.6	Confident	82	Confident	94 Å²	94	105.2 Å²	105.2	41%	0.409	51%	0.509	S	S	.	.	H	α-helix	trans	-63	-40.2	174.5	160.8	-159.9	168.7	-154.1	0	111.6	K98 E99 M100 I106	K98-K102 WeakPolarHBondContact O-CB 3.12Å; K98-K102 PolarHBondContact O-N 3.4Å; E99-K102 WeakPolarHBondContact O-CB 3.27Å; E99-K102 PolarHBondContact O-N 3.38Å; M100-K102 VanDerWaalsContact C-N 3.29Å; M100-K102 PolarHBondContact O-N 3.27Å; K102-I106 HydrophobicContact CG-CD1 4.08Å; K102-I106 WeakPolarHBondContact O-CD1 3.48Å; K102-I106 VanDerWaalsContact O-CG1 3.3Å; K102-I106 WeakPolarHBondContact O-CG1 3.35Å; K102-I106 PolarHBondContact O-N 2.79Å; K102-I106 VanDerWaalsContact O-N 3.13Å
103	E	78.3	Confident	82.5	Confident	127 Å²	127	106.1 Å²	106.1	59%	0.593	51%	0.51	S	S	*	.	H	α-helix	trans	-67.8	-45.1	179.1	-66.3	-167.9	154.3	0	0	112.3	E99 M100 I105 I106 L107	E99-E103 PolarHBondContact O-N 3.25Å; M100-E103 PolarHBondContact O-N 3.49Å; M100-E103 VanDerWaalsContact O-N 3.16Å; E103-I105 VanDerWaalsContact C-N 3.3Å; E103-I105 PolarHBondContact O-N 2.86Å; E103-I106 WeakPolarHBondContact O-CB 3.42Å; E103-I106 PolarHBondContact O-N 3.35Å; E103-I106 VanDerWaalsContact O-N 3.08Å; E103-L107 WeakPolarHBondContact O-CG 3.47Å; E103-L107 PolarHBondContact O-N 2.77Å
104	D	82.6	Confident	82.8	Confident	109 Å²	109	107.8 Å²	107.8	58%	0.583	51%	0.51	S	S	*	.	H	α-helix	trans	-58.4	-41	175.2	-89.8	-23.9	0	0	0	112.5	M100 I106 L107 K108	M100-D104 PolarHBondContact O-N 2.73Å; D104-I106 VanDerWaalsContact C-N 3.34Å; D104-I106 PolarHBondContact O-N 3.01Å; D104-L107 PolarHBondContact O-N 3.02Å; D104-K108 WeakPolarHBondContact O-CB 3.47Å; D104-K108 PolarHBondContact O-N 3.14Å
105	I	85.4	Confident	82.8	Confident	101 Å²	101	106.1 Å²	106.1	52%	0.518	50%	0.504	S	S	.	.	H	α-helix	trans	-63.4	-40.3	175.7	-70.4	166.4	0	0	0	111	Q101 E103 K108 I109	Q101-I105 WeakPolarHBondContact O-CD1 3.4Å; Q101-I105 VanDerWaalsContact O-CG1 3.26Å; Q101-I105 WeakPolarHBondContact O-CG1 3.37Å; Q101-I105 PolarHBondContact O-N 3.01Å; E103-I105 VanDerWaalsContact C-N 3.3Å; E103-I105 PolarHBondContact O-N 2.86Å; I105-K108 PolarHBondContact O-N 3.47Å; I105-I109 HydrophobicContact CG2-CD1 3.8Å; I105-I109 WeakPolarHBondContact O-CB 3.25Å; I105-I109 WeakPolarHBondContact O-CD1 3.29Å; I105-I109 VanDerWaalsContact O-CG1 3.26Å; I105-I109 WeakPolarHBondContact O-CG1 3.5Å; I105-I109 PolarHBondContact O-N 3.07Å
106	I	84.3	Confident	83	Confident	94 Å²	94	109.5 Å²	109.5	48%	0.482	52%	0.516	S	S	.	.	H	α-helix	trans	-65.1	-45.4	176.7	-70	164.6	0	0	0	110.8	K102 E103 D104 K108 I109 Q110	K102-I106 HydrophobicContact CG-CD1 4.08Å; K102-I106 WeakPolarHBondContact O-CD1 3.48Å; K102-I106 VanDerWaalsContact O-CG1 3.3Å; K102-I106 WeakPolarHBondContact O-CG1 3.35Å; K102-I106 PolarHBondContact O-N 2.79Å; K102-I106 VanDerWaalsContact O-N 3.13Å; E103-I106 WeakPolarHBondContact O-CB 3.42Å; E103-I106 PolarHBondContact O-N 3.35Å; E103-I106 VanDerWaalsContact O-N 3.08Å; D104-I106 VanDerWaalsContact C-N 3.34Å; D104-I106 PolarHBondContact O-N 3.01Å; I106-K108 VanDerWaalsContact C-N 3.32Å; I106-K108 PolarHBondContact O-N 3.1Å; I106-I109 PolarHBondContact O-N 3.32Å; I106-Q110 PolarHBondContact O-N 3Å
107	L	83.3	Confident	83.5	Confident	105 Å²	105	109.1 Å²	109.1	55%	0.55	52%	0.516	S	S	.	.	H	α-helix	trans	-61.1	-39.8	176.8	-70.9	172.6	0	0	0	112.1	E103 D104 Q110 R111	E103-L107 WeakPolarHBondContact O-CG 3.47Å; E103-L107 PolarHBondContact O-N 2.77Å; D104-L107 PolarHBondContact O-N 3.02Å; L107-Q110 PolarHBondContact O-N 3.4Å; L107-R111 PolarHBondContact O-N 3.2Å; L107-R111 VanDerWaalsContact O-N 3.1Å
108	K	88.3	Confident	83.7	Confident	139 Å²	139	109.1 Å²	109.1	60%	0.604	51%	0.514	S	S	*	.	H	α-helix	trans	-64.5	-48.3	175.5	-169.6	170.9	-176.7	174	0	111.9	D104 I105 I106 Q110 R111 D112	D104-K108 WeakPolarHBondContact O-CB 3.47Å; D104-K108 PolarHBondContact O-N 3.14Å; I105-K108 PolarHBondContact O-N 3.47Å; I106-K108 VanDerWaalsContact C-N 3.32Å; I106-K108 PolarHBondContact O-N 3.1Å; K108-Q110 PolarHBondContact O-N 2.9Å; K108-R111 PolarHBondContact O-N 3.36Å; K108-R111 VanDerWaalsContact O-N 3.15Å; K108-D112 PolarHBondContact O-N 3.47Å
109	I	86.1	Confident	83.8	Confident	82 Å²	82	112.2 Å²	112.2	42%	0.421	52%	0.523	S	S	.	.	H	α-helix	trans	-59.1	-35.3	175.8	-70.9	166.1	0	0	0	111.7	I105 I106 K113	I105-I109 HydrophobicContact CG2-CD1 3.8Å; I105-I109 WeakPolarHBondContact O-CB 3.25Å; I105-I109 WeakPolarHBondContact O-CD1 3.29Å; I105-I109 VanDerWaalsContact O-CG1 3.26Å; I105-I109 WeakPolarHBondContact O-CG1 3.5Å; I105-I109 PolarHBondContact O-N 3.07Å; I106-I109 PolarHBondContact O-N 3.32Å; I109-K113 HydrophobicContact CG2-CD 4.45Å; I109-K113 VanDerWaalsContact O-CG 3.29Å; I109-K113 WeakPolarHBondContact O-CG 3.33Å; I109-K113 PolarHBondContact O-N 2.94Å
110	Q	84.4	Confident	84.1	Confident	107 Å²	107	113.8 Å²	113.8	50%	0.5	53%	0.528	S	S	.	.	H	α-helix	trans	-66.8	-45.7	176.8	-162.1	74.7	-14.8	0	0	111.4	I106 L107 K108 K113 E114	I106-Q110 PolarHBondContact O-N 3Å; L107-Q110 PolarHBondContact O-N 3.4Å; K108-Q110 PolarHBondContact O-N 2.9Å; Q110-K113 PolarHBondContact O-N 2.92Å; Q110-E114 PolarHBondContact O-N 2.81Å
111	R	86.2	Confident	84.3	Confident	168 Å²	168	111.9 Å²	111.9	63%	0.634	52%	0.52	S	S	*	.	H	α-helix	trans	-63.5	-45	177.3	-166	178.3	-60.4	167.3	5.1	112.2	L107 K108 K113 E114 D115	L107-R111 PolarHBondContact O-N 3.2Å; L107-R111 VanDerWaalsContact O-N 3.1Å; K108-R111 PolarHBondContact O-N 3.36Å; K108-R111 VanDerWaalsContact O-N 3.15Å; R111-K113 VanDerWaalsContact C-N 3.27Å; R111-K113 PolarHBondContact O-N 3.44Å; R111-E114 PolarHBondContact O-N 3.44Å; R111-E114 VanDerWaalsContact O-N 3.16Å; R111-D115 PolarHBondContact O-N 2.91Å; R111-D115 VanDerWaalsContact O-N 3.08Å
112	D	83.8	Confident	84.1	Confident	80 Å²	80	112.5 Å²	112.5	43%	0.428	53%	0.526	S	S	.	.	H	α-helix	trans	-60.8	-34.8	178.5	-70.5	-22.8	0	0	0	112.1	K108 Q116	K108-D112 PolarHBondContact O-N 3.47Å; D112-Q116 WeakPolarHBondContact O-CB 3.44Å; D112-Q116 WeakPolarHBondContact O-CG 3.5Å; D112-Q116 PolarHBondContact O-N 2.83Å
113	K	86.8	Confident	84	Confident	117 Å²	117	112.8 Å²	112.8	51%	0.509	53%	0.531	S	S	.	.	H	α-helix	trans	-67.6	-42.7	174.2	-75.3	168.7	-175.8	169.8	0	112.9	I109 Q110 R111 D115 Q116 M117	I109-K113 HydrophobicContact CG2-CD 4.45Å; I109-K113 VanDerWaalsContact O-CG 3.29Å; I109-K113 WeakPolarHBondContact O-CG 3.33Å; I109-K113 PolarHBondContact O-N 2.94Å; Q110-K113 PolarHBondContact O-N 2.92Å; R111-K113 VanDerWaalsContact C-N 3.27Å; R111-K113 PolarHBondContact O-N 3.44Å; K113-D115 VanDerWaalsContact C-N 3.32Å; K113-D115 PolarHBondContact O-N 3.08Å; K113-Q116 PolarHBondContact O-N 3.3Å; K113-M117 PolarHBondContact O-N 2.84Å
114	E	87.2	Confident	84.1	Confident	103 Å²	103	110 Å²	110	48%	0.481	52%	0.518	S	S	.	.	H	α-helix	trans	-62.1	-42.4	176.8	-70.7	-174.3	-168.5	0	0	111.3	Q110 R111 M117 K118	Q110-E114 PolarHBondContact O-N 2.81Å; R111-E114 PolarHBondContact O-N 3.44Å; R111-E114 VanDerWaalsContact O-N 3.16Å; E114-M117 WeakPolarHBondContact O-CB 3.25Å; E114-M117 PolarHBondContact O-N 2.9Å; E114-M117 VanDerWaalsContact O-N 3.15Å; E114-K118 VanDerWaalsContact O-CG 3.29Å; E114-K118 WeakPolarHBondContact O-CG 3.44Å; E114-K118 PolarHBondContact O-N 2.92Å; E114-K118 IonicContact OE2-NZ 2.66Å; E114-K118 PolarHBondContact OE2-NZ 2.66Å
115	D	85	Confident	83.6	Confident	65 Å²	65	107.9 Å²	107.9	35%	0.348	51%	0.512	S	S	.	.	H	α-helix	trans	-72.4	-30.9	179.9	-73.3	-4.6	0	0	0	112.3	R111 K113 K118 R119	R111-D115 PolarHBondContact O-N 2.91Å; R111-D115 VanDerWaalsContact O-N 3.08Å; K113-D115 VanDerWaalsContact C-N 3.32Å; K113-D115 PolarHBondContact O-N 3.08Å; D115-K118 WeakPolarHBondContact OD1-CD 3.36Å; D115-K118 WeakPolarHBondContact OD1-CE 3.28Å; D115-K118 IonicContact OD1-NZ 2.64Å; D115-K118 PolarHBondContact OD1-NZ 2.77Å; D115-R119 WeakPolarHBondContact O-CB 3.12Å; D115-R119 WeakPolarHBondContact O-CG 3.09Å; D115-R119 PolarHBondContact O-N 2.87Å
116	Q	83.4	Confident	82.8	Confident	138 Å²	138	108.9 Å²	108.9	65%	0.645	52%	0.515	S	S	*	.	H	α-helix	trans	-62.3	-40.3	165.5	-77.1	-176.9	19.2	0	0	112.3	D112 K113 R119 K120	D112-Q116 WeakPolarHBondContact O-CB 3.44Å; D112-Q116 WeakPolarHBondContact O-CG 3.5Å; D112-Q116 PolarHBondContact O-N 2.83Å; K113-Q116 PolarHBondContact O-N 3.3Å; Q116-R119 PolarHBondContact O-N 2.84Å; Q116-K120 WeakPolarHBondContact O-CB 3.22Å; Q116-K120 PolarHBondContact O-N 2.83Å
117	M	86.6	Confident	82.2	Confident	125 Å²	125	109 Å²	109	62%	0.616	52%	0.516	S	S	*	.	H	α-helix	trans	-64.6	-49.5	176.9	-166.4	178	-63	0	0	111.3	K113 E114 R119 K120 D121	K113-M117 PolarHBondContact O-N 2.84Å; E114-M117 WeakPolarHBondContact O-CB 3.25Å; E114-M117 PolarHBondContact O-N 2.9Å; E114-M117 VanDerWaalsContact O-N 3.15Å; M117-R119 VanDerWaalsContact C-N 3.32Å; M117-R119 PolarHBondContact O-N 2.91Å; M117-K120 WeakPolarHBondContact O-CB 3.28Å; M117-K120 PolarHBondContact O-N 2.72Å; M117-K120 VanDerWaalsContact O-N 3.08Å; M117-D121 PolarHBondContact O-N 3.27Å
118	K	83.6	Confident	81.7	Confident	113 Å²	113	110.1 Å²	110.1	49%	0.491	51%	0.513	S	S	.	.	H	α-helix	trans	-55.9	-43.7	175.4	-65.1	161.7	-154.6	158.9	0	111.7	E114 D115 L122	E114-K118 VanDerWaalsContact O-CG 3.29Å; E114-K118 WeakPolarHBondContact O-CG 3.44Å; E114-K118 PolarHBondContact O-N 2.92Å; E114-K118 IonicContact OE2-NZ 2.66Å; E114-K118 PolarHBondContact OE2-NZ 2.66Å; D115-K118 WeakPolarHBondContact OD1-CD 3.36Å; D115-K118 WeakPolarHBondContact OD1-CE 3.28Å; D115-K118 IonicContact OD1-NZ 2.64Å; D115-K118 PolarHBondContact OD1-NZ 2.77Å; K118-L122 WeakPolarHBondContact O-CB 3.41Å; K118-L122 PolarHBondContact O-N 2.7Å; K118-L122 VanDerWaalsContact O-N 3.12Å
119	R	80.6	Confident	80.5	Confident	176 Å²	176	106.3 Å²	106.3	66%	0.664	51%	0.508	S	S	*	.	H	α-helix	trans	-63.6	-41.9	175.3	-74.4	172	-172.8	-165.6	4.5	112.3	D115 Q116 M117 L122 I123	D115-R119 WeakPolarHBondContact O-CB 3.12Å; D115-R119 WeakPolarHBondContact O-CG 3.09Å; D115-R119 PolarHBondContact O-N 2.87Å; Q116-R119 PolarHBondContact O-N 2.84Å; M117-R119 VanDerWaalsContact C-N 3.32Å; M117-R119 PolarHBondContact O-N 2.91Å; R119-L122 PolarHBondContact O-N 3.44Å; R119-I123 WeakPolarHBondContact O-CD1 3.02Å; R119-I123 VanDerWaalsContact O-CG1 3.28Å; R119-I123 WeakPolarHBondContact O-CG1 3.14Å; R119-I123 PolarHBondContact O-N 3.12Å
120	K	84.4	Confident	79.6	Confident	123 Å²	123	105.2 Å²	105.2	54%	0.535	50%	0.503	S	S	.	.	H	α-helix	trans	-63.1	-46.9	177.8	-170.9	-168	172.7	-140.1	0	111.5	Q116 M117 L122 I123 E124	Q116-K120 WeakPolarHBondContact O-CB 3.22Å; Q116-K120 PolarHBondContact O-N 2.83Å; M117-K120 WeakPolarHBondContact O-CB 3.28Å; M117-K120 PolarHBondContact O-N 2.72Å; M117-K120 VanDerWaalsContact O-N 3.08Å; K120-L122 VanDerWaalsContact C-N 3.31Å; K120-L122 PolarHBondContact O-N 2.91Å; K120-I123 PolarHBondContact O-N 3.03Å; K120-E124 WeakPolarHBondContact CE-OE1 3.32Å; K120-E124 IonicContact NZ-OE1 3.27Å; K120-E124 PolarHBondContact NZ-OE1 2.82Å; K120-E124 PolarHBondContact O-N 3.27Å
121	D	84	Confident	79	Confident	85 Å²	85	106.6 Å²	106.6	46%	0.455	51%	0.507	S	S	.	.	H	α-helix	trans	-63.7	-37.7	-179.7	-71.2	-17.2	0	0	0	112.1	M117 E124 S125	M117-D121 PolarHBondContact O-N 3.27Å; D121-E124 PolarHBondContact O-N 2.73Å; D121-S125 VanDerWaalsContact O-CB 3.28Å; D121-S125 WeakPolarHBondContact O-CB 3.47Å; D121-S125 PolarHBondContact O-N 3.1Å
122	L	79.5	Confident	78.1	Confident	112 Å²	112	102.4 Å²	102.4	59%	0.586	50%	0.497	S	S	*	.	H	α-helix	trans	-61.4	-49.5	172.5	-179	63.4	0	0	0	111.7	K118 R119 K120 E124 S125 Q126	K118-L122 WeakPolarHBondContact O-CB 3.41Å; K118-L122 PolarHBondContact O-N 2.7Å; K118-L122 VanDerWaalsContact O-N 3.12Å; R119-L122 PolarHBondContact O-N 3.44Å; K120-L122 VanDerWaalsContact C-N 3.31Å; K120-L122 PolarHBondContact O-N 2.91Å; L122-E124 PolarHBondContact O-N 2.87Å; L122-S125 WeakPolarHBondContact O-CB 3.42Å; L122-S125 PolarHBondContact O-N 3.03Å; L122-Q126 WeakPolarHBondContact O-CB 3.28Å; L122-Q126 PolarHBondContact O-N 2.85Å
123	I	79.6	Confident	77.1	Confident	100 Å²	100	103.9 Å²	103.9	51%	0.513	50%	0.497	S	S	.	.	H	α-helix	trans	-60.2	-45.2	177.5	-70.2	164.5	0	0	0	110.8	R119 K120 S125 Q126 N127	R119-I123 WeakPolarHBondContact O-CD1 3.02Å; R119-I123 VanDerWaalsContact O-CG1 3.28Å; R119-I123 WeakPolarHBondContact O-CG1 3.14Å; R119-I123 PolarHBondContact O-N 3.12Å; K120-I123 PolarHBondContact O-N 3.03Å; I123-S125 PolarHBondContact O-N 3.45Å; I123-Q126 PolarHBondContact O-N 3.27Å; I123-N127 VanDerWaalsContact O-CB 3.29Å; I123-N127 WeakPolarHBondContact O-CB 3.5Å; I123-N127 VanDerWaalsContact O-CG 3.24Å; I123-N127 PolarHBondContact O-N 2.86Å; I123-N127 PolarHBondContact O-ND2 3.34Å
124	E	80.4	Confident	76.1	Confident	67 Å²	67	103 Å²	103	31%	0.313	50%	0.497	S	S	.	.	H	α-helix	trans	-63.5	-40.2	176	-74.4	-165.8	-160.8	0	0	112.4	K120 D121 L122 N127 R128	K120-E124 WeakPolarHBondContact CE-OE1 3.32Å; K120-E124 IonicContact NZ-OE1 3.27Å; K120-E124 PolarHBondContact NZ-OE1 2.82Å; K120-E124 PolarHBondContact O-N 3.27Å; D121-E124 PolarHBondContact O-N 2.73Å; L122-E124 PolarHBondContact O-N 2.87Å; E124-N127 PolarHBondContact O-N 3.32Å; E124-R128 WeakPolarHBondContact O-CG 3.31Å; E124-R128 PolarHBondContact O-N 3.45Å; E124-R128 PolarHBondContact O-NE 2.7Å; E124-R128 IonicContact OE2-CZ 3.29Å; E124-R128 IonicContact OE2-NH1 2.7Å; E124-R128 PolarHBondContact OE2-NH1 3.39Å; E124-R128 IonicContact OE2-NH2 3.7Å
125	S	73.2	Confident	75.3	Confident	66 Å²	66	104.9 Å²	104.9	46%	0.462	50%	0.5	S	S	.	.	H	α-helix	trans	-62.5	-46.6	177	-164.4	0	0	0	0	111.6	D121 L122 I123 N127 R128 A129	D121-S125 VanDerWaalsContact O-CB 3.28Å; D121-S125 WeakPolarHBondContact O-CB 3.47Å; D121-S125 PolarHBondContact O-N 3.1Å; L122-S125 WeakPolarHBondContact O-CB 3.42Å; L122-S125 PolarHBondContact O-N 3.03Å; I123-S125 PolarHBondContact O-N 3.45Å; S125-N127 PolarHBondContact O-N 3.1Å; S125-R128 WeakPolarHBondContact O-CB 3.42Å; S125-R128 PolarHBondContact O-N 2.69Å; S125-A129 PolarHBondContact O-N 2.84Å
126	Q	67.1	Low	74.2	Confident	122 Å²	122	104.9 Å²	104.9	57%	0.57	50%	0.5	S	S	*	.	H	α-helix	trans	-69.4	-32.9	178.8	-163.3	159.6	2.2	0	0	112.1	L122 I123 A129 N130	L122-Q126 WeakPolarHBondContact O-CB 3.28Å; L122-Q126 PolarHBondContact O-N 2.85Å; I123-Q126 PolarHBondContact O-N 3.27Å; Q126-A129 PolarHBondContact O-N 2.81Å; Q126-N130 WeakPolarHBondContact O-CB 3.31Å; Q126-N130 PolarHBondContact O-N 3.38Å; Q126-N130 PolarHBondContact O-ND2 2.86Å
127	N	73.4	Confident	73.1	Confident	95 Å²	95	100.6 Å²	100.6	51%	0.508	48%	0.481	S	S	.	.	H	α-helix	trans	-67.6	-36.5	171.2	-77.2	-28	0	0	0	112.9	I123 E124 S125 K131	I123-N127 VanDerWaalsContact O-CB 3.29Å; I123-N127 WeakPolarHBondContact O-CB 3.5Å; I123-N127 VanDerWaalsContact O-CG 3.24Å; I123-N127 PolarHBondContact O-N 2.86Å; I123-N127 PolarHBondContact O-ND2 3.34Å; E124-N127 PolarHBondContact O-N 3.32Å; S125-N127 PolarHBondContact O-N 3.1Å; N127-K131 WeakPolarHBondContact O-CB 3.3Å; N127-K131 PolarHBondContact O-N 2.69Å
128	R	72.9	Confident	72.2	Confident	129 Å²	129	99.8 Å²	99.8	49%	0.487	48%	0.475	S	S	.	.	H	α-helix	trans	-61.7	-50.8	170.7	-74.1	177.9	-77.6	-103.2	2.8	110.6	E124 S125 N130 K131 D132	E124-R128 WeakPolarHBondContact O-CG 3.31Å; E124-R128 PolarHBondContact O-N 3.45Å; E124-R128 PolarHBondContact O-NE 2.7Å; E124-R128 IonicContact OE2-CZ 3.29Å; E124-R128 IonicContact OE2-NH1 2.7Å; E124-R128 PolarHBondContact OE2-NH1 3.39Å; E124-R128 IonicContact OE2-NH2 3.7Å; S125-R128 WeakPolarHBondContact O-CB 3.42Å; S125-R128 PolarHBondContact O-N 2.69Å; R128-N130 PolarHBondContact O-N 3.17Å; R128-K131 WeakPolarHBondContact O-CB 3.46Å; R128-K131 PolarHBondContact O-N 3.28Å; R128-K131 VanDerWaalsContact O-N 3.16Å; R128-D132 PolarHBondContact O-N 3.22Å; R128-D132 VanDerWaalsContact O-N 3.14Å
129	A	62.1	Low	71.4	Confident	60 Å²	60	98.5 Å²	98.5	50%	0.496	47%	0.47	S	S	.	.	H	α-helix	trans	-59.1	-42.8	176.9	0	0	0	0	0	113.1	S125 Q126 K131 D132 R133	S125-A129 PolarHBondContact O-N 2.84Å; Q126-A129 PolarHBondContact O-N 2.81Å; A129-K131 VanDerWaalsContact C-N 3.34Å; A129-K131 PolarHBondContact O-N 3.29Å; A129-D132 PolarHBondContact O-N 3.28Å; A129-R133 WeakPolarHBondContact O-CB 3.35Å; A129-R133 PolarHBondContact O-N 2.58Å
130	N	66.4	Low	70.3	Confident	59 Å²	59	90.1 Å²	90.1	32%	0.316	44%	0.438	S	S	.	.	H	α-helix	trans	-61.7	-38.5	175.6	-84.5	-39.7	0	0	0	113	Q126 R128 R133 L134	Q126-N130 WeakPolarHBondContact O-CB 3.31Å; Q126-N130 PolarHBondContact O-N 3.38Å; Q126-N130 PolarHBondContact O-ND2 2.86Å; R128-N130 PolarHBondContact O-N 3.17Å; N130-R133 PolarHBondContact O-N 3.28Å; N130-R133 PolarHBondContact OD1-NE 2.99Å; N130-R133 PolarHBondContact OD1-NH2 3.07Å; N130-L134 PolarHBondContact O-N 3.08Å
131	K	72.8	Confident	69.3	Low	136 Å²	136	92 Å²	92	59%	0.591	44%	0.442	S	S	*	.	H	α-helix	trans	-67.2	-38.7	178.5	-171.4	172.5	-175.6	172.5	0	112	N127 R128 A129 R135	N127-K131 WeakPolarHBondContact O-CB 3.3Å; N127-K131 PolarHBondContact O-N 2.69Å; R128-K131 WeakPolarHBondContact O-CB 3.46Å; R128-K131 PolarHBondContact O-N 3.28Å; R128-K131 VanDerWaalsContact O-N 3.16Å; A129-K131 VanDerWaalsContact C-N 3.34Å; A129-K131 PolarHBondContact O-N 3.29Å; K131-R135 WeakPolarHBondContact O-CG 3.37Å; K131-R135 PolarHBondContact O-N 3.29Å; K131-R135 VanDerWaalsContact O-N 3.14Å
132	D	66.8	Low	68.2	Low	79 Å²	79	93.7 Å²	93.7	42%	0.422	45%	0.45	S	S	.	.	H	α-helix	trans	-76.3	-34.5	176.2	-67.4	-30.7	0	0	0	112.1	R128 A129 L134 R135 N136	R128-D132 PolarHBondContact O-N 3.22Å; R128-D132 VanDerWaalsContact O-N 3.14Å; A129-D132 PolarHBondContact O-N 3.28Å; D132-L134 PolarHBondContact O-N 3.48Å; D132-R135 PolarHBondContact O-N 3.16Å; D132-R135 IonicContact OD1-NH1 2.7Å; D132-N136 WeakPolarHBondContact O-CB 3.37Å; D132-N136 PolarHBondContact O-N 3.11Å
133	R	63.4	Low	67.2	Low	112 Å²	112	92.3 Å²	92.3	42%	0.423	45%	0.447	S	S	.	.	H	α-helix	trans	-55.4	-49.1	167.5	176.3	171.7	63	150	-1.6	111.4	A129 N130 R135 N136 L137 E191	A129-R133 WeakPolarHBondContact O-CB 3.35Å; A129-R133 PolarHBondContact O-N 2.58Å; N130-R133 PolarHBondContact O-N 3.28Å; N130-R133 PolarHBondContact OD1-NE 2.99Å; N130-R133 PolarHBondContact OD1-NH2 3.07Å; R133-R135 PolarHBondContact O-N 3.35Å; R133-N136 PolarHBondContact O-N 2.9Å; R133-L137 HydrophobicContact CG-CD1 4.03Å; R133-L137 WeakPolarHBondContact O-CG 3.45Å; R133-L137 PolarHBondContact O-N 3.03Å; R133-E191 WeakPolarHBondContact CD-OE1 3.47Å; R133-E191 IonicContact CZ-OE1 3.98Å; R133-E191 IonicContact NE-OE1 3.55Å; R133-E191 IonicContact NH1-OE1 3.39Å; R133-E191 PolarHBondContact NH1-OE1 3.22Å
134	L	66.1	Low	66.2	Low	99 Å²	99	88.8 Å²	88.8	52%	0.518	43%	0.428	S	S	.	.	H	α-helix	trans	-62	-42	178.9	-177.6	61.3	0	0	0	112.1	N130 D132 L137 Q138	N130-L134 PolarHBondContact O-N 3.08Å; D132-L134 PolarHBondContact O-N 3.48Å; L134-L137 PolarHBondContact O-N 3.2Å; L134-Q138 HydrophobicContact CD1-CG 4.5Å; L134-Q138 WeakPolarHBondContact O-CB 3.39Å; L134-Q138 VanDerWaalsContact O-CG 3.26Å; L134-Q138 WeakPolarHBondContact O-CG 3.45Å; L134-Q138 PolarHBondContact O-N 3.22Å
135	R	70	Confident	64.9	Low	141 Å²	141	90.1 Å²	90.1	53%	0.532	43%	0.434	S	S	.	.	H	α-helix	trans	-63	-41.9	175.2	-76.2	168.8	157.7	-169.1	-10.7	112.7	K131 D132 R133 Q138 K139	K131-R135 WeakPolarHBondContact O-CG 3.37Å; K131-R135 PolarHBondContact O-N 3.29Å; K131-R135 VanDerWaalsContact O-N 3.14Å; D132-R135 PolarHBondContact O-N 3.16Å; D132-R135 IonicContact OD1-NH1 2.7Å; R133-R135 PolarHBondContact O-N 3.35Å; R135-Q138 PolarHBondContact O-N 3.08Å; R135-K139 WeakPolarHBondContact O-CB 3.45Å; R135-K139 PolarHBondContact O-N 3.09Å
136	N	61.7	Low	63.7	Low	66 Å²	66	93.1 Å²	93.1	35%	0.353	45%	0.445	S	S	.	.	H	α-helix	trans	-65.2	-43.7	177.4	-77.1	-13.9	0	0	0	111.6	D132 R133 K139 A140 M197	D132-N136 WeakPolarHBondContact O-CB 3.37Å; D132-N136 PolarHBondContact O-N 3.11Å; R133-N136 PolarHBondContact O-N 2.9Å; N136-K139 PolarHBondContact O-N 2.75Å; N136-A140 WeakPolarHBondContact O-CB 3.4Å; N136-A140 PolarHBondContact O-N 2.89Å; N136-M197 HydrophobicContact CB-CG 3.63Å
137	L	61.5	Low	62.8	Low	47 Å²	47	95.6 Å²	95.6	25%	0.246	46%	0.456	C	S	.	.	H	α-helix	trans	-63.9	-38.7	174	-70.1	170.5	0	0	0	112.2	R133 L134 R141 L190 V223	R133-L137 HydrophobicContact CG-CD1 4.03Å; R133-L137 WeakPolarHBondContact O-CG 3.45Å; R133-L137 PolarHBondContact O-N 3.03Å; L134-L137 PolarHBondContact O-N 3.2Å; L137-R141 WeakPolarHBondContact O-CB 3.46Å; L137-R141 PolarHBondContact O-N 3.28Å; L137-L190 HydrophobicContact CD2-CD1 4.05Å; L137-V223 HydrophobicContact CD2-CG1 4.03Å
138	Q	66.7	Low	61.7	Low	108 Å²	108	94.9 Å²	94.9	51%	0.505	45%	0.452	S	S	.	.	H	α-helix	trans	-65.9	-45.8	174.9	-75.9	171.8	-15.9	0	0	112.4	L134 R135 R141 L142	L134-Q138 HydrophobicContact CD1-CG 4.5Å; L134-Q138 WeakPolarHBondContact O-CB 3.39Å; L134-Q138 VanDerWaalsContact O-CG 3.26Å; L134-Q138 WeakPolarHBondContact O-CG 3.45Å; L134-Q138 PolarHBondContact O-N 3.22Å; R135-Q138 PolarHBondContact O-N 3.08Å; Q138-R141 PolarHBondContact O-N 3.36Å; Q138-L142 WeakPolarHBondContact O-CG 3.46Å; Q138-L142 PolarHBondContact O-N 2.98Å
139	K	66.3	Low	60.2	Low	87 Å²	87	91 Å²	91	38%	0.378	45%	0.452	S	S	.	.	H	α-helix	trans	-55.3	-53.2	172.1	-85.7	-175.1	162.9	-166.4	0	111.5	R135 N136 R141 L142 V143 D198	R135-K139 WeakPolarHBondContact O-CB 3.45Å; R135-K139 PolarHBondContact O-N 3.09Å; N136-K139 PolarHBondContact O-N 2.75Å; K139-R141 VanDerWaalsContact C-N 3.33Å; K139-R141 PolarHBondContact O-N 3.14Å; K139-L142 PolarHBondContact O-N 3.3Å; K139-V143 PolarHBondContact O-N 2.97Å; K139-V143 VanDerWaalsContact O-N 3.1Å; K139-D198 IonicContact NZ-OD1 3.01Å; K139-D198 PolarHBondContact NZ-OD1 2.98Å; K139-D198 IonicContact NZ-OD2 2.72Å; K139-D198 PolarHBondContact NZ-OD2 3.45Å
140	A	58.5	Low	59.3	Low	0 Å²	0	95.6 Å²	95.6	0%	0	47%	0.467	C	S	.	.	H	α-helix	trans	-58.6	-47.4	-179.2	0	0	0	0	0	110.8	N136 L142 V143 F144 M197 V223	N136-A140 WeakPolarHBondContact O-CB 3.4Å; N136-A140 PolarHBondContact O-N 2.89Å; A140-L142 VanDerWaalsContact C-N 3.34Å; A140-L142 PolarHBondContact O-N 3.26Å; A140-V143 PolarHBondContact O-N 3.03Å; A140-F144 HydrophobicContact CB-CD2 4.05Å; A140-F144 HydrophobicContact CB-CE2 4.01Å; A140-F144 WeakPolarHBondContact O-CB 3.26Å; A140-F144 WeakPolarHBondContact O-CD2 3.27Å; A140-F144 WeakPolarHBondContact O-CG 3.44Å; A140-F144 PolarHBondContact O-N 3.31Å; A140-M197 HydrophobicContact CB-CE 3.75Å; A140-V223 HydrophobicContact CB-CG2 3.76Å
141	R	62.3	Low	58.3	Low	163 Å²	163	98.2 Å²	98.2	62%	0.615	48%	0.478	S	S	*	.	H	α-helix	trans	-60	-40.1	178.9	179.1	170.8	176.2	171.9	-1.4	112.9	L137 Q138 K139 Q145	L137-R141 WeakPolarHBondContact O-CB 3.46Å; L137-R141 PolarHBondContact O-N 3.28Å; Q138-R141 PolarHBondContact O-N 3.36Å; K139-R141 VanDerWaalsContact C-N 3.33Å; K139-R141 PolarHBondContact O-N 3.14Å; R141-Q145 HydrophobicContact CG-CG 4.3Å; R141-Q145 VanDerWaalsContact O-CB 3.26Å; R141-Q145 WeakPolarHBondContact O-CB 3.34Å; R141-Q145 WeakPolarHBondContact O-CG 3.33Å; R141-Q145 PolarHBondContact O-N 3.16Å; R141-Q145 VanDerWaalsContact O-N 3.11Å
142	L	61.9	Low	57.1	Low	119 Å²	119	93 Å²	93	62%	0.623	46%	0.456	S	S	*	.	H	α-helix	trans	-61.7	-56.1	173.9	-75.4	161.8	0	0	0	110.8	Q138 K139 A140 F144 Q145	Q138-L142 WeakPolarHBondContact O-CG 3.46Å; Q138-L142 PolarHBondContact O-N 2.98Å; K139-L142 PolarHBondContact O-N 3.3Å; A140-L142 VanDerWaalsContact C-N 3.34Å; A140-L142 PolarHBondContact O-N 3.26Å; L142-F144 VanDerWaalsContact C-N 3.32Å; L142-F144 PolarHBondContact O-N 3.05Å; L142-Q145 PolarHBondContact O-N 3.37Å
143	V	59	Low	56.1	Low	84 Å²	84	98.6 Å²	98.6	51%	0.509	47%	0.471	S	S	.	.	H	α-helix	trans	-66.8	-30.6	-173.5	-177.3	0	0	0	0	113	K139 A140 L201	K139-V143 PolarHBondContact O-N 2.97Å; K139-V143 VanDerWaalsContact O-N 3.1Å; A140-V143 PolarHBondContact O-N 3.03Å; V143-L201 HydrophobicContact CB-CD1 4.23Å; V143-L201 HydrophobicContact CB-CD2 4.04Å; V143-L201 HydrophobicContact CG1-CD1 4.25Å; V143-L201 HydrophobicContact CG1-CD2 3.65Å; V143-L201 HydrophobicContact CG2-CD1 4Å
144	F	57	Low	55.3	Low	26 Å²	26	96.7 Å²	96.7	11%	0.114	47%	0.472	C	S	.	.	H	α-helix	trans	-91.6	-8.7	178.2	-60.8	-55.8	0	0	0	115.1	A140 L142 L201 I204 S221 V223 L228	A140-F144 HydrophobicContact CB-CD2 4.05Å; A140-F144 HydrophobicContact CB-CE2 4.01Å; A140-F144 WeakPolarHBondContact O-CB 3.26Å; A140-F144 WeakPolarHBondContact O-CD2 3.27Å; A140-F144 WeakPolarHBondContact O-CG 3.44Å; A140-F144 PolarHBondContact O-N 3.31Å; L142-F144 VanDerWaalsContact C-N 3.32Å; L142-F144 PolarHBondContact O-N 3.05Å; F144-L201 HydrophobicContact CE1-CD2 3.7Å; F144-L201 HydrophobicContact CE2-CD2 3.94Å; F144-L201 HydrophobicContact CZ-CD2 3.36Å; F144-I204 HydrophobicContact CE1-CD1 4.06Å; F144-I204 HydrophobicContact CE1-CG2 4.24Å; F144-I204 HydrophobicContact CZ-CD1 3.71Å; F144-S221 WeakPolarHBondContact CD1-O 3.38Å; F144-S221 VanDerWaalsContact CE1-OG 3.29Å; F144-S221 WeakPolarHBondContact CE1-OG 3.19Å; F144-V223 HydrophobicContact CD2-CG2 3.91Å; F144-V223 HydrophobicContact CE2-CG2 4.12Å; F144-L228 HydrophobicContact CD2-CD1 4.16Å; F144-L228 HydrophobicContact CE1-CD1 4.36Å; F144-L228 HydrophobicContact CE2-CD1 3.58Å; F144-L228 HydrophobicContact CZ-CD1 3.69Å; F144-L228 HydrophobicContact CZ-CD2 4.42Å
145	Q	53.6	Low	54.5	Low	94 Å²	94	92 Å²	92	44%	0.439	45%	0.447	S	S	.	.	H	α-helix	trans	-77	-34.1	175	-89.9	-169.9	-127	0	0	112.5	R141 L142 H147 G149	R141-Q145 HydrophobicContact CG-CG 4.3Å; R141-Q145 VanDerWaalsContact O-CB 3.26Å; R141-Q145 WeakPolarHBondContact O-CB 3.34Å; R141-Q145 WeakPolarHBondContact O-CG 3.33Å; R141-Q145 PolarHBondContact O-N 3.16Å; R141-Q145 VanDerWaalsContact O-N 3.11Å; L142-Q145 PolarHBondContact O-N 3.37Å; Q145-H147 VanDerWaalsContact C-N 3.32Å; Q145-H147 PolarHBondContact O-N 2.72Å; Q145-G149 PolarHBondContact O-N 2.86Å
146	D	47.8	Very low	53.4	Low	129 Å²	129	90 Å²	90	69%	0.69	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	2.3	-163.1	-71.7	-7.6	0	0	0	116
147	H	49.5	Very low	52.5	Low	175 Å²	175	93.6 Å²	93.6	81%	0.81	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.3	-7.1	-174.7	-99	45.1	0	0	0	118	Q145	Q145-H147 VanDerWaalsContact C-N 3.32Å; Q145-H147 PolarHBondContact O-N 2.72Å
148	L	48.6	Very low	51.7	Low	80 Å²	80	97.9 Å²	97.9	42%	0.419	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-162.1	27.1	165.8	-113.5	157.8	0	0	0	113.2	L150 I152	L148-L150 VanDerWaalsContact C-N 3.26Å; L148-L150 PolarHBondContact O-N 3.38Å; L148-I152 HydrophobicContact CB-CD1 4.35Å; L148-I152 HydrophobicContact CD1-CD1 4.39Å; L148-I152 HydrophobicContact CD2-CD1 4.08Å
149	G	42.6	Very low	50.7	Low	48 Å²	48	95.2 Å²	95.2	50%	0.495	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	41.7	-166.1	0	0	0	0	0	117.9	Q145	Q145-G149 PolarHBondContact O-N 2.86Å
150	L	42.4	Very low	49.8	Very low	156 Å²	156	96 Å²	96	82%	0.817	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.4	-45.3	174.6	-108.8	154.1	0	0	0	115	L148	L148-L150 VanDerWaalsContact C-N 3.26Å; L148-L150 PolarHBondContact O-N 3.38Å
151	E	45.2	Very low	49.1	Very low	114 Å²	114	103.3 Å²	103.3	53%	0.533	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-24.9	-169.6	-58.7	-166.4	147	0	0	115.2	R153 P178	E151-R153 PolarHBondContact O-N 2.95Å; E151-P178 HydrophobicContact CB-CB 4.2Å; E151-P178 HydrophobicContact CB-CG 3.78Å; E151-P178 VanDerWaalsContact O-CG 3.29Å; E151-P178 WeakPolarHBondContact O-CG 3.15Å
152	I	47.7	Very low	48.3	Very low	25 Å²	25	97.1 Å²	97.1	13%	0.128	49%	0.494	C	S	.	.	G	3₁₀ helix	trans	-92.9	9.7	-161.1	-49.7	-177.6	0	0	0	113.4	L148 T154 I155 T220 F222	L148-I152 HydrophobicContact CB-CD1 4.35Å; L148-I152 HydrophobicContact CD1-CD1 4.39Å; L148-I152 HydrophobicContact CD2-CD1 4.08Å; I152-T154 VanDerWaalsContact C-N 3.26Å; I152-T154 PolarHBondContact O-N 3.39Å; I152-I155 HydrophobicContact CG2-CD1 3.47Å; I152-I155 VanDerWaalsContact CG2-CD1 3.47Å; I152-I155 HydrophobicContact CG2-CG1 3.89Å; I152-T220 HydrophobicContact CD1-CG2 3.75Å; I152-F222 HydrophobicContact CB-CE1 4.42Å; I152-F222 HydrophobicContact CG2-CE1 3.67Å; I152-F222 HydrophobicContact CG2-CZ 3.84Å
153	R	46	Very low	47.6	Very low	198 Å²	198	96 Å²	96	75%	0.747	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-67.3	-26.9	172.9	-67.1	-172.5	-178.1	178.1	4.9	112.9	E151 I155	E151-R153 PolarHBondContact O-N 2.95Å; R153-I155 PolarHBondContact O-N 2.91Å
154	T	46.3	Very low	47.1	Very low	71 Å²	71	93.4 Å²	93.4	44%	0.436	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-78.1	3	-174.3	-28	0	0	0	0	114.6	I152 I156 T177	I152-T154 VanDerWaalsContact C-N 3.26Å; I152-T154 PolarHBondContact O-N 3.39Å; T154-I156 VanDerWaalsContact C-N 3.31Å; T154-T177 HydrophobicContact CG2-CG2 4.16Å; T154-T177 PolarHBondContact O-OG1 3.12Å; T154-T177 VanDerWaalsContact O-OG1 3.09Å
155	I	49.5	Very low	46.4	Very low	1 Å²	1	95.3 Å²	95.3	1%	0.005	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-70.8	-27.4	175.8	-78.7	-164.8	0	0	0	112.3	I152 R153 D157 A174 C176 V183 I185 W229	I152-I155 HydrophobicContact CG2-CD1 3.47Å; I152-I155 VanDerWaalsContact CG2-CD1 3.47Å; I152-I155 HydrophobicContact CG2-CG1 3.89Å; R153-I155 PolarHBondContact O-N 2.91Å; I155-D157 PolarHBondContact O-N 3.47Å; I155-A174 HydrophobicContact CG2-CB 4.03Å; I155-C176 HydrophobicContact CD1-CB 4.23Å; I155-V183 HydrophobicContact CD1-CG2 4.43Å; I155-I185 HydrophobicContact CD1-CD1 4.31Å; I155-I185 HydrophobicContact CG2-CD1 3.65Å; I155-W229 HydrophobicContact CG2-CZ3 4.35Å
156	I	48.6	Very low	46	Very low	100 Å²	100	93.3 Å²	93.3	51%	0.513	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-64.3	-42	-166.7	-62.2	173.3	0	0	0	112.2	T154 K158	T154-I156 VanDerWaalsContact C-N 3.31Å; I156-K158 VanDerWaalsContact C-N 3.3Å; I156-K158 PolarHBondContact O-N 2.86Å
157	D	41.6	Very low	45.6	Very low	141 Å²	141	92.6 Å²	92.6	75%	0.754	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-75.4	-11.6	-170.7	-63.2	-23.5	0	0	0	114.9	I155	I155-D157 PolarHBondContact O-N 3.47Å
158	K	44.7	Very low	45.5	Very low	137 Å²	137	87.7 Å²	87.7	60%	0.596	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-134.9	34.3	-172.6	-66.9	-172.6	180	176.4	0	114.3	I156 Q160	I156-K158 VanDerWaalsContact C-N 3.3Å; I156-K158 PolarHBondContact O-N 2.86Å; K158-Q160 PolarHBondContact O-N 3.24Å
159	T	45.1	Very low	46.2	Very low	52 Å²	52	84.3 Å²	84.3	32%	0.319	47%	0.474	S	S	.	.			trans	-67.7	113	171.1	63.2	0	0	0	0	111.4	Q172 A174	T159-Q172 PolarHBondContact OG1-NE2 3.27Å; T159-A174 HydrophobicContact CG2-CB 4.31Å
160	Q	47.5	Very low	47.7	Very low	104 Å²	104	84 Å²	84	49%	0.486	46%	0.463	S	S	.	.			trans	-77.6	126.2	174.8	-71.5	-177.6	-19.2	0	0	110.1	K158 V162 A173	K158-Q160 PolarHBondContact O-N 3.24Å; Q160-V162 PolarHBondContact O-N 2.93Å; Q160-A173 PolarHBondContact N-O 2.77Å
161	M	44.3	Very low	49.5	Very low	152 Å²	152	79.2 Å²	79.2	75%	0.749	44%	0.44	S	S	*	.			trans	-74.7	85.5	-169.9	-160.5	177.4	84.6	0	0	113.4
162	V	44.7	Very low	51.1	Low	33 Å²	33	75 Å²	75	20%	0.2	42%	0.42	C	S	.	.			trans	-115	91.2	160.1	-177.5	0	0	0	0	106.5	Q160 Q172 A173 I451 A455	Q160-V162 PolarHBondContact O-N 2.93Å; V162-Q172 WeakPolarHBondContact O-CA 3.43Å; V162-A173 HydrophobicContact CB-CB 4.03Å; V162-A173 HydrophobicContact CG2-CB 4.3Å; V162-I451 HydrophobicContact CG1-CD1 4.31Å; V162-I451 HydrophobicContact CG1-CG1 3.98Å; V162-I451 HydrophobicContact CG2-CD1 4.3Å; V162-I451 HydrophobicContact CG2-CG1 4.18Å; V162-A455 HydrophobicContact CG1-CB 4.24Å; V162-A455 HydrophobicContact CG2-CB 4.34Å
163	K	48.2	Very low	52.8	Low	95 Å²	95	74 Å²	74	41%	0.413	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	139.5	170.4	-79.1	-171.3	173	-172.6	0	108.9	V458 E482	K163-V458 WeakPolarHBondContact O-CG2 3.43Å; K163-E482 IonicContact NZ-OE2 2.55Å; K163-E482 PolarHBondContact NZ-OE2 3.11Å
164	G	47.9	Very low	54.6	Low	30 Å²	30	64.7 Å²	64.7	31%	0.309	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	123.9	156.8	0	0	0	0	0	108.7	V171	G164-V171 PolarHBondContact N-O 2.78Å; G164-V171 PolarHBondContact O-N 3.32Å
165	S	42.8	Very low	56.3	Low	67 Å²	67	63.3 Å²	63.3	47%	0.469	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	118.8	-174	54.2	0	0	0	0	111.8	V458	S165-V458 WeakPolarHBondContact OG-CG1 3.42Å
166	G	44.6	Very low	57.9	Low	52 Å²	52	63.6 Å²	63.6	54%	0.536	37%	0.373	S	S	.	.			trans	-90.8	177.6	161.7	0	0	0	0	0	111.4	T168 A169	G166-T168 PolarHBondContact O-N 3.45Å; G166-A169 PolarHBondContact N-O 2.96Å
167	A	40.6	Very low	59.3	Low	114 Å²	114	60.8 Å²	60.8	94%	0.942	36%	0.36	S	S	*	.	S	Bend	trans	-65.2	-17.4	-179.9	0	0	0	0	0	114.5
168	T	46.9	Very low	61.1	Low	71 Å²	71	56.8 Å²	56.8	44%	0.436	34%	0.342	S	S	.	.	S	Bend	trans	-133.2	-10.8	-170.1	50.3	0	0	0	0	114.2	G166 L311	G166-T168 PolarHBondContact O-N 3.45Å; T168-L311 HydrophobicContact CG2-CD1 4.16Å; T168-L311 WeakPolarHBondContact OG1-CD1 3.3Å
169	A	62.5	Low	62.8	Low	9 Å²	9	57.3 Å²	57.3	7%	0.074	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	149.9	-169.6	0	0	0	0	0	112.3	G166 K186 R187 I188	G166-A169 PolarHBondContact N-O 2.96Å; A169-K186 HydrophobicContact CB-CD 4.44Å; A169-K186 HydrophobicContact CB-CG 3.92Å; A169-R187 CarbonylContact C-O 3.55Å; A169-R187 WeakPolarHBondContact CA-O 3.28Å; A169-R187 WeakPolarHBondContact CB-O 3.28Å; A169-I188 HydrophobicContact CB-CG1 4Å
170	V	74.2	Confident	64.6	Low	42 Å²	42	61.4 Å²	61.4	26%	0.255	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.2	173.5	-179.2	0	0	0	0	109.1	R187	V170-R187 PolarHBondContact N-O 2.97Å; V170-R187 WeakPolarHBondContact O-CB 3.49Å; V170-R187 PolarHBondContact O-N 2.83Å
171	V	80	Confident	66.4	Low	56 Å²	56	58.8 Å²	58.8	34%	0.339	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	131.3	170.1	-176	0	0	0	0	108.7	G164 A184 I185 K186	G164-V171 PolarHBondContact N-O 2.78Å; G164-V171 PolarHBondContact O-N 3.32Å; V171-A184 HydrophobicContact CG1-CB 4.33Å; V171-I185 CarbonylContact C-O 3.54Å; V171-I185 WeakPolarHBondContact CA-O 3.41Å; V171-K186 HydrophobicContact CG2-CB 4.27Å; V171-K186 HydrophobicContact CG2-CG 4.07Å
172	Q	80.5	Confident	68.4	Low	25 Å²	25	55.9 Å²	55.9	12%	0.117	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	135.5	-177.9	-172.7	170.4	-6.6	0	0	111	T159 V162 I185 R187	T159-Q172 PolarHBondContact OG1-NE2 3.27Å; V162-Q172 WeakPolarHBondContact O-CA 3.43Å; Q172-I185 PolarHBondContact N-O 2.96Å; Q172-I185 PolarHBondContact O-N 3.36Å; Q172-R187 VanDerWaalsContact OE1-NH1 3.16Å
173	A	82.3	Confident	70.5	Confident	5 Å²	5	54.3 Å²	54.3	4%	0.041	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	138.9	172	0	0	0	0	0	111.3	Q160 V162 V183 L234	Q160-A173 PolarHBondContact N-O 2.77Å; V162-A173 HydrophobicContact CB-CB 4.03Å; V162-A173 HydrophobicContact CG2-CB 4.3Å; A173-V183 WeakPolarHBondContact CA-O 3.43Å; A173-L234 HydrophobicContact CB-CD1 4.4Å; A173-L234 HydrophobicContact CB-CD2 4.32Å
174	A	83.1	Confident	72.5	Confident	2 Å²	2	50.1 Å²	50.1	2%	0.017	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	165.3	178.7	0	0	0	0	0	111.9	I155 T159 R182 V183 I185	I155-A174 HydrophobicContact CG2-CB 4.03Å; T159-A174 HydrophobicContact CG2-CB 4.31Å; A174-R182 CarbonylContact O-C 3.58Å; A174-R182 WeakPolarHBondContact O-CA 3.45Å; A174-V183 HydrophobicContact CB-CG2 4.14Å; A174-V183 PolarHBondContact N-O 2.67Å; A174-V183 PolarHBondContact O-N 3.06Å; A174-I185 HydrophobicContact CB-CD1 3.62Å; A174-I185 HydrophobicContact CB-CG1 4.13Å
175	L	81.9	Confident	74.3	Confident	41 Å²	41	48.9 Å²	48.9	22%	0.215	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	118.5	172.2	180	65.3	0	0	0	109.1	T177 R182	L175-T177 PolarHBondContact O-N 2.91Å; L175-T177 VanDerWaalsContact O-N 3.12Å; L175-R182 HydrophobicContact CD1-CG 4.2Å
176	C	83.3	Confident	76.3	Confident	8 Å²	8	46.1 Å²	46.1	5%	0.054	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	91.7	170.7	-172.9	0	0	0	0	109.1	I155 P178 R179 Q180 E181 V183	I155-C176 HydrophobicContact CD1-CB 4.23Å; C176-P178 VanDerWaalsContact C-CD 3.45Å; C176-R179 HydrophobicContact CB-CB 4.26Å; C176-R179 CarbonylContact O-C 3.57Å; C176-R179 PolarHBondContact O-N 3.35Å; C176-Q180 WeakPolarHBondContact O-CA 3.35Å; C176-Q180 PolarHBondContact O-N 2.8Å; C176-E181 WeakPolarHBondContact CB-O 3.49Å; C176-E181 PolarHBondContact N-O 3.48Å; C176-E181 PolarHBondContact O-N 3.26Å; C176-V183 HydrophobicContact CB-CG1 4.07Å; C176-V183 HydrophobicContact CB-CG2 4.44Å
177	T	79.7	Confident	78.1	Confident	40 Å²	40	46.8 Å²	46.8	25%	0.245	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-40.8	-174.2	-43	0	0	0	0	114.8	T154 L175 R179 Q180	T154-T177 HydrophobicContact CG2-CG2 4.16Å; T154-T177 PolarHBondContact O-OG1 3.12Å; T154-T177 VanDerWaalsContact O-OG1 3.09Å; L175-T177 PolarHBondContact O-N 2.91Å; L175-T177 VanDerWaalsContact O-N 3.12Å; T177-R179 PolarHBondContact O-N 2.8Å; T177-Q180 PolarHBondContact O-N 2.83Å; T177-Q180 PolarHBondContact O-NE2 3.2Å
178	P	78.6	Confident	79.9	Confident	57 Å²	57	41.4 Å²	41.4	37%	0.37	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-39.9	175.6	-21.4	32.4	0	0	0	113.3	E151 C176	E151-P178 HydrophobicContact CB-CB 4.2Å; E151-P178 HydrophobicContact CB-CG 3.78Å; E151-P178 VanDerWaalsContact O-CG 3.29Å; E151-P178 WeakPolarHBondContact O-CG 3.15Å; C176-P178 VanDerWaalsContact C-CD 3.45Å
179	R	80.1	Confident	81.3	Confident	149 Å²	149	39.3 Å²	39.3	56%	0.562	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-14	-179.5	-71.9	-175.7	157.4	-148.3	-1.1	114.5	C176 T177 E181	C176-R179 HydrophobicContact CB-CB 4.26Å; C176-R179 CarbonylContact O-C 3.57Å; C176-R179 PolarHBondContact O-N 3.35Å; T177-R179 PolarHBondContact O-N 2.8Å; R179-E181 HydrophobicContact CB-CB 3.75Å; R179-E181 VanDerWaalsContact CD-OE2 3.31Å; R179-E181 WeakPolarHBondContact CD-OE2 3.48Å; R179-E181 IonicContact CZ-OE2 3.73Å; R179-E181 IonicContact NE-OE2 3.95Å; R179-E181 IonicContact NH1-OE2 2.74Å; R179-E181 PolarHBondContact NH1-OE2 2.82Å; R179-E181 PolarHBondContact O-N 2.9Å; R179-E181 VanDerWaalsContact O-N 3.16Å
180	Q	83.6	Confident	81.8	Confident	137 Å²	137	40.1 Å²	40.1	64%	0.64	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	24.9	-162.7	-63.1	-65.1	-53	0	0	113.8	C176 T177	C176-Q180 WeakPolarHBondContact O-CA 3.35Å; C176-Q180 PolarHBondContact O-N 2.8Å; T177-Q180 PolarHBondContact O-N 2.83Å; T177-Q180 PolarHBondContact O-NE2 3.2Å
181	E	85.4	Confident	81.5	Confident	49 Å²	49	42.9 Å²	42.9	23%	0.229	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	137	-173	-170.9	-171.8	174.1	0	0	111.5	C176 R179 V183 Y219	C176-E181 WeakPolarHBondContact CB-O 3.49Å; C176-E181 PolarHBondContact N-O 3.48Å; C176-E181 PolarHBondContact O-N 3.26Å; R179-E181 HydrophobicContact CB-CB 3.75Å; R179-E181 VanDerWaalsContact CD-OE2 3.31Å; R179-E181 WeakPolarHBondContact CD-OE2 3.48Å; R179-E181 IonicContact CZ-OE2 3.73Å; R179-E181 IonicContact NE-OE2 3.95Å; R179-E181 IonicContact NH1-OE2 2.74Å; R179-E181 PolarHBondContact NH1-OE2 2.82Å; R179-E181 PolarHBondContact O-N 2.9Å; R179-E181 VanDerWaalsContact O-N 3.16Å; E181-V183 HydrophobicContact CG-CG1 4.39Å; E181-Y219 WeakPolarHBondContact OE1-CE2 3.35Å; E181-Y219 VanDerWaalsContact OE1-CZ 3.25Å; E181-Y219 PolarHBondContact OE1-OH 3.47Å
182	R	85.8	Confident	80.6	Confident	91 Å²	91	48.6 Å²	48.6	34%	0.343	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	122.4	171.9	-62.7	-179.2	78.6	-120.6	6.5	110	A174 L175 L234	A174-R182 CarbonylContact O-C 3.58Å; A174-R182 WeakPolarHBondContact O-CA 3.45Å; L175-R182 HydrophobicContact CD1-CG 4.2Å; R182-L234 HydrophobicContact CB-CD2 3.87Å; R182-L234 VanDerWaalsContact O-CB 3.3Å; R182-L234 WeakPolarHBondContact O-CB 3.43Å
183	V	88.8	Confident	79.6	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	157.2	-174.7	-60.4	0	0	0	0	111.1	I155 A173 A174 C176 E181 I185 Y219 V231	I155-V183 HydrophobicContact CD1-CG2 4.43Å; A173-V183 WeakPolarHBondContact CA-O 3.43Å; A174-V183 HydrophobicContact CB-CG2 4.14Å; A174-V183 PolarHBondContact N-O 2.67Å; A174-V183 PolarHBondContact O-N 3.06Å; C176-V183 HydrophobicContact CB-CG1 4.07Å; C176-V183 HydrophobicContact CB-CG2 4.44Å; E181-V183 HydrophobicContact CG-CG1 4.39Å; V183-I185 HydrophobicContact CG2-CD1 4.48Å; V183-I185 HydrophobicContact CG2-CG1 4.19Å; V183-Y219 HydrophobicContact CG1-CD2 4.12Å; V183-Y219 HydrophobicContact CG1-CE2 3.98Å; V183-V231 HydrophobicContact CB-CG1 3.89Å; V183-V231 HydrophobicContact CG1-CG1 4.15Å; V183-V231 HydrophobicContact CG2-CG1 3.88Å
184	A	89.1	Confident	78.2	Confident	7 Å²	7	54.6 Å²	54.6	6%	0.058	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	139.7	164.8	0	0	0	0	0	109.1	V171 M232 L234	V171-A184 HydrophobicContact CG1-CB 4.33Å; A184-M232 HydrophobicContact CB-CG 3.81Å; A184-M232 PolarHBondContact N-O 3.24Å; A184-M232 PolarHBondContact O-N 3.07Å; A184-L234 HydrophobicContact CB-CD1 3.98Å
185	I	86.8	Confident	77.1	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	115.2	176.1	-55.2	-175.2	0	0	0	108.1	I155 V171 Q172 A174 V183 R187 W229 L230 V231	I155-I185 HydrophobicContact CD1-CD1 4.31Å; I155-I185 HydrophobicContact CG2-CD1 3.65Å; V171-I185 CarbonylContact C-O 3.54Å; V171-I185 WeakPolarHBondContact CA-O 3.41Å; Q172-I185 PolarHBondContact N-O 2.96Å; Q172-I185 PolarHBondContact O-N 3.36Å; A174-I185 HydrophobicContact CB-CD1 3.62Å; A174-I185 HydrophobicContact CB-CG1 4.13Å; V183-I185 HydrophobicContact CG2-CD1 4.48Å; V183-I185 HydrophobicContact CG2-CG1 4.19Å; I185-R187 HydrophobicContact CG2-CG 4.08Å; I185-W229 HydrophobicContact CD1-CE3 4.04Å; I185-W229 HydrophobicContact CD1-CZ3 4.13Å; I185-W229 HydrophobicContact CG2-CB 3.86Å; I185-W229 HydrophobicContact CG2-CD2 3.88Å; I185-W229 HydrophobicContact CG2-CE3 3.73Å; I185-W229 HydrophobicContact CG2-CG 3.97Å; I185-L230 CarbonylContact C-O 3.43Å; I185-L230 VanDerWaalsContact CA-O 3.31Å; I185-L230 WeakPolarHBondContact CA-O 3.28Å; I185-V231 HydrophobicContact CG1-CG2 4.37Å
186	K	85.8	Confident	76.3	Confident	8 Å²	8	56.2 Å²	56.2	4%	0.035	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	109.9	172	-172.8	175.3	-173.1	177.4	0	108.5	A169 V171 I188 L230 M232 D304	A169-K186 HydrophobicContact CB-CD 4.44Å; A169-K186 HydrophobicContact CB-CG 3.92Å; V171-K186 HydrophobicContact CG2-CB 4.27Å; V171-K186 HydrophobicContact CG2-CG 4.07Å; K186-I188 HydrophobicContact CG-CG1 4.3Å; K186-L230 HydrophobicContact CB-CB 4.31Å; K186-L230 PolarHBondContact N-O 3.31Å; K186-L230 PolarHBondContact O-N 3.49Å; K186-M232 HydrophobicContact CB-CE 3.69Å; K186-M232 HydrophobicContact CD-CE 4.43Å; K186-D304 IonicContact NZ-OD1 3.79Å; K186-D304 PolarHBondContact NZ-OD1 3.36Å; K186-D304 IonicContact NZ-OD2 2.69Å; K186-D304 PolarHBondContact NZ-OD2 3.44Å
187	R	81.9	Confident	75.6	Confident	66 Å²	66	56.3 Å²	56.3	25%	0.249	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	118.9	-180	-60.3	172.6	49.4	-160.1	-12	108.9	A169 V170 Q172 I185 E227 W229	A169-R187 CarbonylContact C-O 3.55Å; A169-R187 WeakPolarHBondContact CA-O 3.28Å; A169-R187 WeakPolarHBondContact CB-O 3.28Å; V170-R187 PolarHBondContact N-O 2.97Å; V170-R187 WeakPolarHBondContact O-CB 3.49Å; V170-R187 PolarHBondContact O-N 2.83Å; Q172-R187 VanDerWaalsContact OE1-NH1 3.16Å; I185-R187 HydrophobicContact CG2-CG 4.08Å; R187-E227 IonicContact CZ-OE1 3.71Å; R187-E227 IonicContact CZ-OE2 3.7Å; R187-E227 VanDerWaalsContact CZ-OE2 3.29Å; R187-E227 IonicContact NE-OE1 3.9Å; R187-E227 PolarHBondContact NE-OE1 3.11Å; R187-E227 IonicContact NE-OE2 3.07Å; R187-E227 PolarHBondContact NE-OE2 3.21Å; R187-E227 VanDerWaalsContact NH2-CD 3.26Å; R187-E227 IonicContact NH2-OE1 3.3Å; R187-E227 PolarHBondContact NH2-OE1 3.38Å; R187-E227 IonicContact NH2-OE2 2.73Å; R187-E227 PolarHBondContact NH2-OE2 3Å; R187-W229 HydrophobicContact CG-CD2 4.18Å; R187-W229 HydrophobicContact CG-CG 4.15Å; R187-W229 HydrophobicContact CG-CZ2 4.42Å
188	I	77.8	Confident	75	Confident	2 Å²	2	58 Å²	58	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	114.2	-176.5	-58.7	165.8	0	0	0	107.4	A169 K186 L190 C193 E227 L228 L230 V307	A169-I188 HydrophobicContact CB-CG1 4Å; K186-I188 HydrophobicContact CG-CG1 4.3Å; I188-L190 PolarHBondContact O-N 2.89Å; I188-C193 WeakPolarHBondContact CG2-SG 3.39Å; I188-E227 CarbonylContact O-C 3.58Å; I188-E227 VanDerWaalsContact O-CA 3.27Å; I188-E227 WeakPolarHBondContact O-CA 3.43Å; I188-L228 HydrophobicContact CB-CB 4.47Å; I188-L228 PolarHBondContact N-O 3.35Å; I188-L228 PolarHBondContact O-N 3.47Å; I188-L230 HydrophobicContact CD1-CD1 3.57Å; I188-L230 HydrophobicContact CD1-CG 4.04Å; I188-V307 HydrophobicContact CD1-CG1 3.59Å; I188-V307 HydrophobicContact CD1-CG2 4.43Å
189	N	76.4	Confident	74.5	Confident	26 Å²	26	58 Å²	58	14%	0.139	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	123.1	176.8	173.4	-77.9	0	0	0	109.9	E191 K192 C193 D226	N189-E191 VanDerWaalsContact C-N 3.33Å; N189-E191 PolarHBondContact O-N 2.68Å; N189-E191 PolarHBondContact OD1-N 3.47Å; N189-E191 VanDerWaalsContact OD1-N 3.08Å; N189-K192 HydrophobicContact CB-CD 4.41Å; N189-K192 WeakPolarHBondContact OD1-CB 3.36Å; N189-K192 WeakPolarHBondContact OD1-CG 3.39Å; N189-K192 PolarHBondContact OD1-N 3.39Å; N189-C193 PolarHBondContact O-N 3.09Å; N189-C193 PolarHBondContact O-SG 3.22Å; N189-D226 PolarHBondContact ND2-OD2 2.83Å
190	L	72.6	Confident	74.2	Confident	26 Å²	26	51.1 Å²	51.1	14%	0.136	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-18.3	-172.9	-66	173.6	0	0	0	113.3	L137 I188 M197 L200 V223 D226 L228	L137-L190 HydrophobicContact CD2-CD1 4.05Å; I188-L190 PolarHBondContact O-N 2.89Å; L190-M197 HydrophobicContact CD1-SD 4.38Å; L190-M197 HydrophobicContact CD2-CE 4.4Å; L190-M197 HydrophobicContact CD2-SD 3.94Å; L190-L200 HydrophobicContact CD2-CD2 3.9Å; L190-V223 HydrophobicContact CD1-CG1 4.32Å; L190-V223 HydrophobicContact CD1-CG2 4.04Å; L190-D226 VanDerWaalsContact CB-O 3.28Å; L190-D226 WeakPolarHBondContact CB-O 3.43Å; L190-D226 WeakPolarHBondContact CG-O 3.18Å; L190-D226 PolarHBondContact N-O 3.27Å; L190-L228 HydrophobicContact CD1-CB 4.47Å; L190-L228 HydrophobicContact CD2-CB 3.89Å; L190-L228 HydrophobicContact CG-CB 4.28Å
191	E	67.3	Low	73.6	Confident	101 Å²	101	45.9 Å²	45.9	47%	0.472	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-36.2	178.7	-47.2	-164.2	153.8	0	0	111.8	R133 N189 C193 D226	R133-E191 WeakPolarHBondContact CD-OE1 3.47Å; R133-E191 IonicContact CZ-OE1 3.98Å; R133-E191 IonicContact NE-OE1 3.55Å; R133-E191 IonicContact NH1-OE1 3.39Å; R133-E191 PolarHBondContact NH1-OE1 3.22Å; N189-E191 VanDerWaalsContact C-N 3.33Å; N189-E191 PolarHBondContact O-N 2.68Å; N189-E191 PolarHBondContact OD1-N 3.47Å; N189-E191 VanDerWaalsContact OD1-N 3.08Å; E191-C193 VanDerWaalsContact C-N 3.28Å; E191-D226 HydrophobicContact CG-CB 4.49Å
192	K	62.5	Low	73.1	Confident	176 Å²	176	49.9 Å²	49.9	77%	0.765	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-18.6	173.9	-66.8	174.8	-174.8	-179	0	112.2	N189 Q194	N189-K192 HydrophobicContact CB-CD 4.41Å; N189-K192 WeakPolarHBondContact OD1-CB 3.36Å; N189-K192 WeakPolarHBondContact OD1-CG 3.39Å; N189-K192 PolarHBondContact OD1-N 3.39Å; K192-Q194 PolarHBondContact O-N 3.26Å
193	C	59.3	Low	72.6	Confident	15 Å²	15	47.2 Å²	47.2	10%	0.101	23%	0.228	C	C	.	.			trans	-81.3	98.5	173.5	-69.5	0	0	0	0	111.5	I188 N189 E191 T195	I188-C193 WeakPolarHBondContact CG2-SG 3.39Å; N189-C193 PolarHBondContact O-N 3.09Å; N189-C193 PolarHBondContact O-SG 3.22Å; E191-C193 VanDerWaalsContact C-N 3.28Å; C193-T195 PolarHBondContact O-N 2.91Å
194	Q	53.5	Low	72.1	Confident	141 Å²	141	47.6 Å²	47.6	66%	0.659	23%	0.23	S	C	*	.			trans	-77.2	33.8	-178.3	-44.9	-175.2	4.1	0	0	115.1	K192 R323	K192-Q194 PolarHBondContact O-N 3.26Å; Q194-R323 PolarHBondContact O-NH1 2.9Å; Q194-R323 VanDerWaalsContact O-NH1 3.15Å; Q194-R323 PolarHBondContact O-NH2 2.99Å
195	T	58.6	Low	71.5	Confident	29 Å²	29	52.8 Å²	52.8	18%	0.178	25%	0.253	C	S	.	.	S	Bend	trans	-136.4	155	-167.3	-47.9	0	0	0	0	109.9	C193 E199 F310	C193-T195 PolarHBondContact O-N 2.91Å; T195-E199 WeakPolarHBondContact CG2-OE2 3.4Å; T195-F310 HydrophobicContact CG2-CD2 3.69Å; T195-F310 HydrophobicContact CG2-CE1 4.21Å; T195-F310 HydrophobicContact CG2-CE2 3.23Å; T195-F310 HydrophobicContact CG2-CG 4.36Å; T195-F310 HydrophobicContact CG2-CZ 3.55Å
196	S	64.8	Low	71.1	Confident	47 Å²	47	54.6 Å²	54.6	33%	0.329	26%	0.264	S	S	.	.			trans	-75	147.3	-167.8	77	0	0	0	0	113.8	D198 E199 L200 F310	S196-D198 PolarHBondContact O-N 2.88Å; S196-E199 VanDerWaalsContact CB-OE2 3.28Å; S196-E199 WeakPolarHBondContact CB-OE2 3.42Å; S196-E199 PolarHBondContact N-OE2 2.75Å; S196-E199 VanDerWaalsContact N-OE2 3.11Å; S196-E199 PolarHBondContact O-N 2.89Å; S196-E199 VanDerWaalsContact OG-CD 3.3Å; S196-E199 VanDerWaalsContact OG-CG 3.28Å; S196-E199 WeakPolarHBondContact OG-CG 3.32Å; S196-E199 PolarHBondContact OG-N 3.5Å; S196-E199 PolarHBondContact OG-OE2 3.39Å; S196-L200 PolarHBondContact O-N 3.02Å; S196-L200 VanDerWaalsContact O-N 3.16Å; S196-F310 WeakPolarHBondContact O-CE2 3.36Å
197	M	68.6	Low	70.9	Confident	11 Å²	11	55 Å²	55	5%	0.054	27%	0.266	C	S	.	.	H	α-helix	trans	-59.3	-33.1	172.3	-70.3	-55.2	-43	0	0	112.4	N136 A140 L190 E199 L200 L201	N136-M197 HydrophobicContact CB-CG 3.63Å; A140-M197 HydrophobicContact CB-CE 3.75Å; L190-M197 HydrophobicContact CD1-SD 4.38Å; L190-M197 HydrophobicContact CD2-CE 4.4Å; L190-M197 HydrophobicContact CD2-SD 3.94Å; M197-E199 VanDerWaalsContact C-N 3.32Å; M197-E199 PolarHBondContact O-N 3.3Å; M197-L200 HydrophobicContact CE-CD2 3.98Å; M197-L200 PolarHBondContact O-N 3.04Å; M197-L200 HydrophobicContact SD-CD2 4.37Å; M197-L201 WeakPolarHBondContact O-CB 3.38Å; M197-L201 VanDerWaalsContact O-CG 3.25Å; M197-L201 WeakPolarHBondContact O-CG 3.28Å; M197-L201 PolarHBondContact O-N 2.95Å
198	D	68.3	Low	70.8	Confident	75 Å²	75	55 Å²	55	40%	0.401	28%	0.277	S	S	.	.	H	α-helix	trans	-74.4	-23.7	-176.2	-55.5	-29.6	0	0	0	112.3	K139 S196 K202	K139-D198 IonicContact NZ-OD1 3.01Å; K139-D198 PolarHBondContact NZ-OD1 2.98Å; K139-D198 IonicContact NZ-OD2 2.72Å; K139-D198 PolarHBondContact NZ-OD2 3.45Å; S196-D198 PolarHBondContact O-N 2.88Å; D198-K202 WeakPolarHBondContact O-CD 3.47Å; D198-K202 WeakPolarHBondContact O-CG 3.39Å
199	E	68.1	Low	70.9	Confident	57 Å²	57	61.3 Å²	61.3	27%	0.266	31%	0.306	S	S	.	.	H	α-helix	trans	-76.3	-44.3	166.8	-72.5	161.4	122	0	0	111	T195 S196 M197 L201 K202 E203 F310 G315 D316	T195-E199 WeakPolarHBondContact CG2-OE2 3.4Å; S196-E199 VanDerWaalsContact CB-OE2 3.28Å; S196-E199 WeakPolarHBondContact CB-OE2 3.42Å; S196-E199 PolarHBondContact N-OE2 2.75Å; S196-E199 VanDerWaalsContact N-OE2 3.11Å; S196-E199 PolarHBondContact O-N 2.89Å; S196-E199 VanDerWaalsContact OG-CD 3.3Å; S196-E199 VanDerWaalsContact OG-CG 3.28Å; S196-E199 WeakPolarHBondContact OG-CG 3.32Å; S196-E199 PolarHBondContact OG-N 3.5Å; S196-E199 PolarHBondContact OG-OE2 3.39Å; M197-E199 VanDerWaalsContact C-N 3.32Å; M197-E199 PolarHBondContact O-N 3.3Å; E199-L201 VanDerWaalsContact C-N 3.32Å; E199-L201 PolarHBondContact O-N 3.26Å; E199-K202 WeakPolarHBondContact O-CB 3.37Å; E199-K202 PolarHBondContact O-N 2.67Å; E199-K202 VanDerWaalsContact O-N 3.14Å; E199-E203 PolarHBondContact O-N 3.37Å; E199-F310 HydrophobicContact CB-CD2 3.94Å; E199-F310 HydrophobicContact CB-CE2 3.78Å; E199-G315 WeakPolarHBondContact OE1-CA 3.26Å; E199-D316 PolarHBondContact OE1-N 3.15Å
200	L	72.8	Confident	71.2	Confident	4 Å²	4	61 Å²	61	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-60.5	-41.8	-179.4	-173.6	49.6	0	0	0	111.9	L190 S196 M197 K202 E203 I204 L228 F310	L190-L200 HydrophobicContact CD2-CD2 3.9Å; S196-L200 PolarHBondContact O-N 3.02Å; S196-L200 VanDerWaalsContact O-N 3.16Å; M197-L200 HydrophobicContact CE-CD2 3.98Å; M197-L200 PolarHBondContact O-N 3.04Å; M197-L200 HydrophobicContact SD-CD2 4.37Å; L200-K202 VanDerWaalsContact C-N 3.33Å; L200-K202 PolarHBondContact O-N 3.03Å; L200-E203 PolarHBondContact O-N 3.39Å; L200-I204 HydrophobicContact CD1-CD1 4.04Å; L200-I204 HydrophobicContact CG-CD1 3.9Å; L200-I204 WeakPolarHBondContact O-CD1 3.47Å; L200-I204 VanDerWaalsContact O-CG1 3.28Å; L200-I204 WeakPolarHBondContact O-CG1 3.28Å; L200-I204 PolarHBondContact O-N 2.74Å; L200-I204 VanDerWaalsContact O-N 3.09Å; L200-L228 HydrophobicContact CD1-CD2 4.29Å; L200-L228 HydrophobicContact CD2-CD2 3.77Å; L200-L228 HydrophobicContact CG-CD2 4.07Å; L200-F310 HydrophobicContact CB-CD2 4.3Å; L200-F310 HydrophobicContact CB-CE1 4.41Å; L200-F310 HydrophobicContact CB-CE2 3.58Å; L200-F310 HydrophobicContact CB-CZ 3.63Å; L200-F310 HydrophobicContact CD1-CD1 4.14Å; L200-F310 HydrophobicContact CD1-CE1 3.96Å; L200-F310 HydrophobicContact CD1-CE2 4.34Å; L200-F310 HydrophobicContact CD1-CG 4.42Å; L200-F310 HydrophobicContact CD1-CZ 4.05Å; L200-F310 HydrophobicContact CD2-CE1 4.4Å; L200-F310 HydrophobicContact CD2-CZ 4.14Å; L200-F310 HydrophobicContact CG-CE1 4.49Å; L200-F310 HydrophobicContact CG-CE2 4.45Å; L200-F310 HydrophobicContact CG-CZ 4.15Å; L200-F310 VanDerWaalsContact N-CE2 3.34Å
201	L	72.2	Confident	71.9	Confident	28 Å²	28	64.3 Å²	64.3	15%	0.147	33%	0.331	C	S	.	.	H	α-helix	trans	-62.6	-36.6	176.6	-74.2	172	0	0	0	112.8	V143 F144 M197 E199 I204 Q205	V143-L201 HydrophobicContact CB-CD1 4.23Å; V143-L201 HydrophobicContact CB-CD2 4.04Å; V143-L201 HydrophobicContact CG1-CD1 4.25Å; V143-L201 HydrophobicContact CG1-CD2 3.65Å; V143-L201 HydrophobicContact CG2-CD1 4Å; F144-L201 HydrophobicContact CE1-CD2 3.7Å; F144-L201 HydrophobicContact CE2-CD2 3.94Å; F144-L201 HydrophobicContact CZ-CD2 3.36Å; M197-L201 WeakPolarHBondContact O-CB 3.38Å; M197-L201 VanDerWaalsContact O-CG 3.25Å; M197-L201 WeakPolarHBondContact O-CG 3.28Å; M197-L201 PolarHBondContact O-N 2.95Å; E199-L201 VanDerWaalsContact C-N 3.32Å; E199-L201 PolarHBondContact O-N 3.26Å; L201-I204 PolarHBondContact O-N 2.8Å; L201-Q205 WeakPolarHBondContact O-CB 3.27Å; L201-Q205 PolarHBondContact O-N 2.79Å
202	K	73.8	Confident	73.3	Confident	132 Å²	132	61.3 Å²	61.3	57%	0.574	32%	0.317	S	S	*	.	H	α-helix	trans	-65.6	-44.2	176.9	-70.7	167.5	-175.1	173.5	0	111.7	D198 E199 L200 I204 Q205 V206	D198-K202 WeakPolarHBondContact O-CD 3.47Å; D198-K202 WeakPolarHBondContact O-CG 3.39Å; E199-K202 WeakPolarHBondContact O-CB 3.37Å; E199-K202 PolarHBondContact O-N 2.67Å; E199-K202 VanDerWaalsContact O-N 3.14Å; L200-K202 VanDerWaalsContact C-N 3.33Å; L200-K202 PolarHBondContact O-N 3.03Å; K202-I204 VanDerWaalsContact C-N 3.33Å; K202-I204 PolarHBondContact O-N 2.97Å; K202-Q205 PolarHBondContact O-N 3.29Å; K202-V206 WeakPolarHBondContact O-CG2 3.35Å; K202-V206 PolarHBondContact O-N 2.95Å
203	E	75.1	Confident	74.8	Confident	35 Å²	35	56.6 Å²	56.6	16%	0.164	30%	0.304	C	S	.	.	H	α-helix	trans	-67.9	-34	177.8	-69.7	-160.1	176.3	0	0	112.4	E199 L200 V206 M207 R285 V307 A309 F310	E199-E203 PolarHBondContact O-N 3.37Å; L200-E203 PolarHBondContact O-N 3.39Å; E203-V206 PolarHBondContact O-N 3.06Å; E203-M207 VanDerWaalsContact O-CB 3.26Å; E203-M207 WeakPolarHBondContact O-CB 3.38Å; E203-M207 PolarHBondContact O-N 2.75Å; E203-R285 IonicContact OE1-NH1 2.7Å; E203-V307 PolarHBondContact OE2-N 3.49Å; E203-A309 WeakPolarHBondContact OE1-CB 3.44Å; E203-F310 VanDerWaalsContact CD-CB 3.44Å; E203-F310 HydrophobicContact CG-CB 4.45Å; E203-F310 PolarHBondContact OE1-N 2.96Å; E203-F310 VanDerWaalsContact OE1-N 3.07Å; E203-F310 WeakPolarHBondContact OE2-CB 3.36Å; E203-F310 PolarHBondContact OE2-N 2.86Å
204	I	78.5	Confident	76.6	Confident	9 Å²	9	56.2 Å²	56.2	5%	0.046	30%	0.301	C	S	.	.	H	α-helix	trans	-69	-38.9	174.1	-65.5	161	0	0	0	111.3	F144 L200 L201 K202 M207 S208 Y218 S221 L228 L230	F144-I204 HydrophobicContact CE1-CD1 4.06Å; F144-I204 HydrophobicContact CE1-CG2 4.24Å; F144-I204 HydrophobicContact CZ-CD1 3.71Å; L200-I204 HydrophobicContact CD1-CD1 4.04Å; L200-I204 HydrophobicContact CG-CD1 3.9Å; L200-I204 WeakPolarHBondContact O-CD1 3.47Å; L200-I204 VanDerWaalsContact O-CG1 3.28Å; L200-I204 WeakPolarHBondContact O-CG1 3.28Å; L200-I204 PolarHBondContact O-N 2.74Å; L200-I204 VanDerWaalsContact O-N 3.09Å; L201-I204 PolarHBondContact O-N 2.8Å; K202-I204 VanDerWaalsContact C-N 3.33Å; K202-I204 PolarHBondContact O-N 2.97Å; I204-M207 HydrophobicContact CB-CE 4.4Å; I204-M207 HydrophobicContact CG1-CE 4.06Å; I204-M207 HydrophobicContact CG2-CE 4.4Å; I204-M207 PolarHBondContact O-N 2.97Å; I204-S208 WeakPolarHBondContact O-CB 3.31Å; I204-S208 PolarHBondContact O-N 3.41Å; I204-S208 PolarHBondContact O-OG 2.86Å; I204-Y218 HydrophobicContact CG2-CE2 4.32Å; I204-Y218 VanDerWaalsContact CG2-OH 3.31Å; I204-Y218 WeakPolarHBondContact CG2-OH 3.39Å; I204-S221 WeakPolarHBondContact CG2-OG 3.29Å; I204-L228 HydrophobicContact CD1-CD2 3.58Å; I204-L230 HydrophobicContact CD1-CD2 4.24Å; I204-L230 HydrophobicContact CG1-CD2 4.34Å
205	Q	77.6	Confident	78.6	Confident	117 Å²	117	49.8 Å²	49.8	55%	0.547	27%	0.271	S	S	.	.	H	α-helix	trans	-60.4	-47.2	173.4	-175.4	179.9	3.3	0	0	111.1	L201 K202 S208 Q209	L201-Q205 WeakPolarHBondContact O-CB 3.27Å; L201-Q205 PolarHBondContact O-N 2.79Å; K202-Q205 PolarHBondContact O-N 3.29Å; Q205-S208 PolarHBondContact O-N 3.39Å; Q205-S208 PolarHBondContact O-OG 3.48Å; Q205-Q209 WeakPolarHBondContact O-CG 3.38Å; Q205-Q209 PolarHBondContact O-N 2.99Å
206	V	77.1	Confident	80.2	Confident	41 Å²	41	49.2 Å²	49.2	25%	0.248	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-48.3	174.5	166.8	0	0	0	0	111.3	K202 E203 S208 Q209 C210 Q282 F305	K202-V206 WeakPolarHBondContact O-CG2 3.35Å; K202-V206 PolarHBondContact O-N 2.95Å; E203-V206 PolarHBondContact O-N 3.06Å; V206-S208 VanDerWaalsContact C-N 3.29Å; V206-S208 PolarHBondContact O-N 3.39Å; V206-Q209 PolarHBondContact O-N 3.44Å; V206-Q209 VanDerWaalsContact O-N 3.11Å; V206-C210 PolarHBondContact O-N 3.14Å; V206-C210 PolarHBondContact O-SG 2.95Å; V206-C210 VanDerWaalsContact O-SG 3.32Å; V206-Q282 HydrophobicContact CG1-CG 4.16Å; V206-Q282 VanDerWaalsContact CG1-OE1 3.31Å; V206-F305 HydrophobicContact CG1-CE1 4.07Å; V206-F305 HydrophobicContact CG1-CZ 3.9Å
207	M	81.4	Confident	81.3	Confident	17 Å²	17	49.1 Å²	49.1	8%	0.084	27%	0.265	C	S	.	.	H	α-helix	trans	-60.3	-36.7	177.9	177.3	175.8	49.3	0	0	112.3	E203 I204 Q209 C210 Y218 L230 V307	E203-M207 VanDerWaalsContact O-CB 3.26Å; E203-M207 WeakPolarHBondContact O-CB 3.38Å; E203-M207 PolarHBondContact O-N 2.75Å; I204-M207 HydrophobicContact CB-CE 4.4Å; I204-M207 HydrophobicContact CG1-CE 4.06Å; I204-M207 HydrophobicContact CG2-CE 4.4Å; I204-M207 PolarHBondContact O-N 2.97Å; M207-Q209 PolarHBondContact O-N 2.96Å; M207-C210 PolarHBondContact O-N 3.06Å; M207-Y218 HydrophobicContact CE-CD2 3.48Å; M207-Y218 VanDerWaalsContact CE-CD2 3.48Å; M207-Y218 HydrophobicContact CE-CE2 3.63Å; M207-Y218 HydrophobicContact CE-CG 4.21Å; M207-Y218 HydrophobicContact CG-CD2 4.13Å; M207-Y218 HydrophobicContact CG-CG 3.92Å; M207-Y218 HydrophobicContact SD-CD2 3.79Å; M207-Y218 HydrophobicContact SD-CG 4.16Å; M207-L230 HydrophobicContact CE-CD1 4.32Å; M207-L230 HydrophobicContact CE-CD2 4.39Å; M207-V307 HydrophobicContact CE-CG2 4.48Å
208	S	80.1	Confident	82.3	Confident	67 Å²	67	50.4 Å²	50.4	47%	0.469	27%	0.27	S	S	.	.	H	α-helix	trans	-69.4	-19.3	177.3	75.8	0	0	0	0	114.4	I204 Q205 V206	I204-S208 WeakPolarHBondContact O-CB 3.31Å; I204-S208 PolarHBondContact O-N 3.41Å; I204-S208 PolarHBondContact O-OG 2.86Å; Q205-S208 PolarHBondContact O-N 3.39Å; Q205-S208 PolarHBondContact O-OG 3.48Å; V206-S208 VanDerWaalsContact C-N 3.29Å; V206-S208 PolarHBondContact O-N 3.39Å
209	Q	80.3	Confident	83.1	Confident	134 Å²	134	49.7 Å²	49.7	63%	0.626	26%	0.262	S	S	*	.	H	α-helix	trans	-92.2	-13.3	176.7	-66.9	172.3	0.2	0	0	112.2	Q205 V206 M207 S211	Q205-Q209 WeakPolarHBondContact O-CG 3.38Å; Q205-Q209 PolarHBondContact O-N 2.99Å; V206-Q209 PolarHBondContact O-N 3.44Å; V206-Q209 VanDerWaalsContact O-N 3.11Å; M207-Q209 PolarHBondContact O-N 2.96Å; Q209-S211 PolarHBondContact O-N 3.29Å
210	C	83.4	Confident	84	Confident	19 Å²	19	47.9 Å²	47.9	13%	0.128	25%	0.254	C	S	.	.			trans	-84.4	111.5	-179.8	-70.4	0	0	0	0	111.6	V206 M207 Y276 F305	V206-C210 PolarHBondContact O-N 3.14Å; V206-C210 PolarHBondContact O-SG 2.95Å; V206-C210 VanDerWaalsContact O-SG 3.32Å; M207-C210 PolarHBondContact O-N 3.06Å; C210-Y276 HydrophobicContact CB-CE1 4.21Å; C210-F305 HydrophobicContact CB-CE1 4.23Å; C210-F305 VanDerWaalsContact SG-CE1 3.53Å
211	S	87.8	Confident	84.5	Confident	96 Å²	96	47.8 Å²	47.8	67%	0.671	25%	0.254	S	S	*	.			trans	-130.1	107.5	175.5	-175.1	0	0	0	0	110.2	Q209 Y276	Q209-S211 PolarHBondContact O-N 3.29Å; S211-Y276 PolarHBondContact N-OH 3.49Å; S211-Y276 PolarHBondContact O-OH 2.92Å
212	H	94.9	Very high	84.8	Confident	37 Å²	37	48.5 Å²	48.5	17%	0.171	26%	0.256	C	S	.	.			trans	-150.8	139.6	-179	-169.8	-102.9	0	0	0	110.2	N214 I215 E272 Y276	H212-N214 PolarHBondContact CE1-OD1 3.39Å; H212-N214 PolarHBondContact ND1-N 3.41Å; H212-N214 PolarHBondContact O-N 2.72Å; H212-I215 HydrophobicContact CB-CB 4.29Å; H212-I215 HydrophobicContact CB-CG1 3.99Å; H212-I215 PolarHBondContact O-N 3.09Å; H212-E272 PolarHBondContact CE1-O 2.97Å; H212-Y276 HydrophobicContact CB-CD1 3.64Å; H212-Y276 HydrophobicContact CB-CD2 4.01Å; H212-Y276 HydrophobicContact CB-CE1 3.87Å; H212-Y276 HydrophobicContact CB-CE2 4.21Å; H212-Y276 HydrophobicContact CB-CG 3.72Å; H212-Y276 AromaticContact CD2-CD2 3.49Å; H212-Y276 VanDerWaalsContact CD2-CD2 3.49Å; H212-Y276 WeakPolarHBondContact CD2-CD2 3.19Å; H212-Y276 AromaticContact CD2-CG 3.55Å; H212-Y276 AromaticContact CG-CD1 3.98Å; H212-Y276 AromaticContact CG-CD2 3.91Å; H212-Y276 AromaticContact CG-CG 3.59Å
213	P	95.3	Very high	85	Confident	78 Å²	78	44 Å²	44	51%	0.506	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.9	-177.8	21.9	-35.5	0	0	0	114.7	Q301	P213-Q301 WeakPolarHBondContact O-CG 3.39Å; P213-Q301 PolarHBondContact O-NE2 2.67Å
214	N	96.9	Very high	85.1	Confident	7 Å²	7	44 Å²	44	4%	0.037	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	13	179.3	-51.3	103.2	0	0	0	114.4	H212 E269 V300 Q301 I302	H212-N214 PolarHBondContact CE1-OD1 3.39Å; H212-N214 PolarHBondContact ND1-N 3.41Å; H212-N214 PolarHBondContact O-N 2.72Å; N214-E269 WeakPolarHBondContact CB-O 3.32Å; N214-E269 WeakPolarHBondContact ND2-CB 3.25Å; N214-E269 PolarHBondContact ND2-OE2 2.7Å; N214-V300 PolarHBondContact ND2-O 3.07Å; N214-Q301 CarbonylContact O-C 3.58Å; N214-Q301 WeakPolarHBondContact O-CA 3.48Å; N214-I302 PolarHBondContact O-N 3.3Å
215	I	94.3	Very high	85.2	Confident	6 Å²	6	52 Å²	52	3%	0.031	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-113.6	140.4	167.3	-58.7	-61.1	0	0	0	107.7	H212 T217 Y276 L277 I302	H212-I215 HydrophobicContact CB-CB 4.29Å; H212-I215 HydrophobicContact CB-CG1 3.99Å; H212-I215 PolarHBondContact O-N 3.09Å; I215-T217 PolarHBondContact O-N 3.41Å; I215-Y276 HydrophobicContact CG1-CD1 4.41Å; I215-L277 HydrophobicContact CD1-CD1 3.8Å; I215-L277 HydrophobicContact CD1-CD2 4.42Å; I215-L277 HydrophobicContact CD1-CG 3.99Å; I215-L277 HydrophobicContact CG1-CG 4.47Å; I215-I302 HydrophobicContact CD1-CB 4.03Å; I215-I302 HydrophobicContact CD1-CD1 4Å; I215-I302 HydrophobicContact CD1-CG1 4.23Å
216	V	92.4	Very high	85.1	Confident	16 Å²	16	48.8 Å²	48.8	10%	0.097	26%	0.263	C	S	.	.			trans	-63.7	122.6	178.6	169.4	0	0	0	0	109.6	Y218 M232 L235 L293 Q301 I302 A303	V216-Y218 PolarHBondContact O-N 2.6Å; V216-Y218 VanDerWaalsContact O-N 3.12Å; V216-M232 HydrophobicContact CG1-CB 4.09Å; V216-M232 HydrophobicContact CG1-CG 4.24Å; V216-M232 HydrophobicContact CG1-SD 4.2Å; V216-L235 HydrophobicContact CG2-CD1 3.85Å; V216-L293 HydrophobicContact CG2-CD1 4.29Å; V216-Q301 HydrophobicContact CG2-CB 3.72Å; V216-I302 PolarHBondContact N-O 2.9Å; V216-A303 HydrophobicContact CB-CB 4.4Å; V216-A303 HydrophobicContact CG2-CB 3.76Å
217	T	89.6	Confident	85.2	Confident	46 Å²	46	48.1 Å²	48.1	28%	0.282	26%	0.257	S	S	.	.			trans	-69	111.2	-175.6	-40.7	0	0	0	0	110.6	I215 Y219 M232 K233	I215-T217 PolarHBondContact O-N 3.41Å; T217-Y219 HydrophobicContact CG2-CD1 3.95Å; T217-Y219 HydrophobicContact CG2-CE1 3.64Å; T217-M232 CarbonylContact O-C 3.56Å; T217-M232 VanDerWaalsContact O-CA 3.28Å; T217-M232 WeakPolarHBondContact O-CA 3.44Å; T217-M232 WeakPolarHBondContact O-CB 3.47Å; T217-K233 PolarHBondContact O-N 2.86Å
218	Y	88.3	Confident	85.2	Confident	37 Å²	37	47.3 Å²	47.3	15%	0.145	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	137.7	164	168.1	-91.3	0	0	0	109.6	I204 M207 V216 T220 S221 L230	I204-Y218 HydrophobicContact CG2-CE2 4.32Å; I204-Y218 VanDerWaalsContact CG2-OH 3.31Å; I204-Y218 WeakPolarHBondContact CG2-OH 3.39Å; M207-Y218 HydrophobicContact CE-CD2 3.48Å; M207-Y218 VanDerWaalsContact CE-CD2 3.48Å; M207-Y218 HydrophobicContact CE-CE2 3.63Å; M207-Y218 HydrophobicContact CE-CG 4.21Å; M207-Y218 HydrophobicContact CG-CD2 4.13Å; M207-Y218 HydrophobicContact CG-CG 3.92Å; M207-Y218 HydrophobicContact SD-CD2 3.79Å; M207-Y218 HydrophobicContact SD-CG 4.16Å; V216-Y218 PolarHBondContact O-N 2.6Å; V216-Y218 VanDerWaalsContact O-N 3.12Å; Y218-T220 WeakPolarHBondContact CE2-O 3.48Å; Y218-T220 VanDerWaalsContact OH-C 3.24Å; Y218-S221 WeakPolarHBondContact OH-CB 3.49Å; Y218-S221 PolarHBondContact OH-N 2.99Å; Y218-S221 PolarHBondContact OH-OG 3.03Å; Y218-L230 HydrophobicContact CE2-CD2 4.42Å
219	Y	86.2	Confident	85.4	Confident	61 Å²	61	45.1 Å²	45.1	24%	0.239	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-48.8	178.1	-65.5	-22.2	0	0	0	112.3	E181 V183 T217 V231	E181-Y219 WeakPolarHBondContact OE1-CE2 3.35Å; E181-Y219 VanDerWaalsContact OE1-CZ 3.25Å; E181-Y219 PolarHBondContact OE1-OH 3.47Å; V183-Y219 HydrophobicContact CG1-CD2 4.12Å; V183-Y219 HydrophobicContact CG1-CE2 3.98Å; T217-Y219 HydrophobicContact CG2-CD1 3.95Å; T217-Y219 HydrophobicContact CG2-CE1 3.64Å; Y219-V231 HydrophobicContact CD2-CG1 4.3Å; Y219-V231 PolarHBondContact N-O 3.31Å
220	T	85.4	Confident	85.7	Confident	18 Å²	18	38.8 Å²	38.8	11%	0.11	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.1	171.7	-179.8	-170.1	0	0	0	0	110.7	I152 Y218 F222 V231	I152-T220 HydrophobicContact CD1-CG2 3.75Å; Y218-T220 WeakPolarHBondContact CE2-O 3.48Å; Y218-T220 VanDerWaalsContact OH-C 3.24Å; T220-F222 HydrophobicContact CG2-CD1 4.33Å; T220-F222 HydrophobicContact CG2-CE1 4.28Å; T220-V231 HydrophobicContact CG2-CB 4.06Å; T220-V231 HydrophobicContact CG2-CG2 4.09Å; T220-V231 PolarHBondContact N-O 3.36Å; T220-V231 PolarHBondContact O-N 3.1Å
221	S	83.5	Confident	85.9	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	152.7	168.9	57.6	0	0	0	0	112.8	F144 I204 Y218 W229 L230	F144-S221 WeakPolarHBondContact CD1-O 3.38Å; F144-S221 VanDerWaalsContact CE1-OG 3.29Å; F144-S221 WeakPolarHBondContact CE1-OG 3.19Å; I204-S221 WeakPolarHBondContact CG2-OG 3.29Å; Y218-S221 WeakPolarHBondContact OH-CB 3.49Å; Y218-S221 PolarHBondContact OH-N 2.99Å; Y218-S221 PolarHBondContact OH-OG 3.03Å; S221-W229 WeakPolarHBondContact CA-O 3.46Å; S221-W229 WeakPolarHBondContact CB-O 3.45Å; S221-L230 VanDerWaalsContact CB-CD2 3.41Å
222	F	79.4	Confident	86	Confident	42 Å²	42	34.6 Å²	34.6	18%	0.184	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	156.5	-178.6	48.9	-93.3	0	0	0	110.9	I152 T220 V224 W229 V231	I152-F222 HydrophobicContact CB-CE1 4.42Å; I152-F222 HydrophobicContact CG2-CE1 3.67Å; I152-F222 HydrophobicContact CG2-CZ 3.84Å; T220-F222 HydrophobicContact CG2-CD1 4.33Å; T220-F222 HydrophobicContact CG2-CE1 4.28Å; F222-V224 HydrophobicContact CD2-CG2 3.62Å; F222-V224 HydrophobicContact CE2-CG2 3.62Å; F222-W229 HydrophobicContact CD2-CB 4.22Å; F222-W229 HydrophobicContact CE2-CB 3.98Å; F222-W229 HydrophobicContact CE2-CD2 4.24Å; F222-W229 AromaticContact CE2-CE3 3.76Å; F222-W229 HydrophobicContact CE2-CE3 3.76Å; F222-W229 HydrophobicContact CE2-CG 4.36Å; F222-W229 HydrophobicContact CZ-CB 4.4Å; F222-W229 HydrophobicContact CZ-CE3 4.12Å; F222-W229 PolarHBondContact N-O 2.92Å; F222-W229 PolarHBondContact O-N 3.14Å; F222-V231 HydrophobicContact CE1-CG2 3.6Å; F222-V231 HydrophobicContact CZ-CG2 4.01Å
223	V	78.4	Confident	85.8	Confident	38 Å²	38	35.6 Å²	35.6	23%	0.23	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	131.4	177.2	172.4	0	0	0	0	110.8	L137 A140 F144 L190 K225 E227 L228	L137-V223 HydrophobicContact CD2-CG1 4.03Å; A140-V223 HydrophobicContact CB-CG2 3.76Å; F144-V223 HydrophobicContact CD2-CG2 3.91Å; F144-V223 HydrophobicContact CE2-CG2 4.12Å; L190-V223 HydrophobicContact CD1-CG1 4.32Å; L190-V223 HydrophobicContact CD1-CG2 4.04Å; V223-K225 WeakPolarHBondContact CG1-O 3.37Å; V223-E227 CarbonylContact C-O 3.56Å; V223-E227 VanDerWaalsContact CA-O 3.31Å; V223-E227 WeakPolarHBondContact CA-O 3.31Å; V223-L228 HydrophobicContact CG2-CD1 4.15Å
224	V	76.6	Confident	85.5	Confident	35 Å²	35	33.4 Å²	33.4	21%	0.212	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	112.8	172.8	-175.3	0	0	0	0	107.5	F222 D226 E227 W229	F222-V224 HydrophobicContact CD2-CG2 3.62Å; F222-V224 HydrophobicContact CE2-CG2 3.62Å; V224-D226 PolarHBondContact O-N 3.07Å; V224-D226 VanDerWaalsContact O-N 3.15Å; V224-E227 PolarHBondContact N-O 2.7Å; V224-E227 PolarHBondContact O-N 3.11Å; V224-W229 HydrophobicContact CB-CD2 4.14Å; V224-W229 HydrophobicContact CB-CG 4.3Å; V224-W229 HydrophobicContact CB-CZ2 4.27Å; V224-W229 HydrophobicContact CG1-CZ2 4.15Å; V224-W229 HydrophobicContact CG2-CB 4.49Å; V224-W229 HydrophobicContact CG2-CD2 3.59Å; V224-W229 HydrophobicContact CG2-CE3 3.97Å; V224-W229 HydrophobicContact CG2-CG 3.82Å; V224-W229 HydrophobicContact CG2-CZ2 4.33Å; V224-W229 HydrophobicContact CG2-CZ3 4.49Å
225	K	80.8	Confident	85.2	Confident	176 Å²	176	33.7 Å²	33.7	77%	0.765	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	-113.1	-171.8	-56.9	-179.9	-180	-176.8	0	111.5	V223	V223-K225 WeakPolarHBondContact CG1-O 3.37Å
226	D	74.4	Confident	84.9	Confident	50 Å²	50	34.1 Å²	34.1	27%	0.267	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-0.2	-179.7	59	-66.1	0	0	0	113.3	N189 L190 E191 V224	N189-D226 PolarHBondContact ND2-OD2 2.83Å; L190-D226 VanDerWaalsContact CB-O 3.28Å; L190-D226 WeakPolarHBondContact CB-O 3.43Å; L190-D226 WeakPolarHBondContact CG-O 3.18Å; L190-D226 PolarHBondContact N-O 3.27Å; E191-D226 HydrophobicContact CG-CB 4.49Å; V224-D226 PolarHBondContact O-N 3.07Å; V224-D226 VanDerWaalsContact O-N 3.15Å
227	E	79.2	Confident	84.6	Confident	27 Å²	27	33.7 Å²	33.7	13%	0.126	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	139.3	-177.3	-60.8	-178.9	147.4	0	0	112.5	R187 I188 V223 V224 W229	R187-E227 IonicContact CZ-OE1 3.71Å; R187-E227 IonicContact CZ-OE2 3.7Å; R187-E227 VanDerWaalsContact CZ-OE2 3.29Å; R187-E227 IonicContact NE-OE1 3.9Å; R187-E227 PolarHBondContact NE-OE1 3.11Å; R187-E227 IonicContact NE-OE2 3.07Å; R187-E227 PolarHBondContact NE-OE2 3.21Å; R187-E227 VanDerWaalsContact NH2-CD 3.26Å; R187-E227 IonicContact NH2-OE1 3.3Å; R187-E227 PolarHBondContact NH2-OE1 3.38Å; R187-E227 IonicContact NH2-OE2 2.73Å; R187-E227 PolarHBondContact NH2-OE2 3Å; I188-E227 CarbonylContact O-C 3.58Å; I188-E227 VanDerWaalsContact O-CA 3.27Å; I188-E227 WeakPolarHBondContact O-CA 3.43Å; V223-E227 CarbonylContact C-O 3.56Å; V223-E227 VanDerWaalsContact CA-O 3.31Å; V223-E227 WeakPolarHBondContact CA-O 3.31Å; V224-E227 PolarHBondContact N-O 2.7Å; V224-E227 PolarHBondContact O-N 3.11Å; E227-W229 PolarHBondContact OE2-NE1 2.91Å
228	L	81.3	Confident	84.5	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	126.2	159	175.3	64.8	0	0	0	109.5	F144 I188 L190 L200 I204 V223 L230	F144-L228 HydrophobicContact CD2-CD1 4.16Å; F144-L228 HydrophobicContact CE1-CD1 4.36Å; F144-L228 HydrophobicContact CE2-CD1 3.58Å; F144-L228 HydrophobicContact CZ-CD1 3.69Å; F144-L228 HydrophobicContact CZ-CD2 4.42Å; I188-L228 HydrophobicContact CB-CB 4.47Å; I188-L228 PolarHBondContact N-O 3.35Å; I188-L228 PolarHBondContact O-N 3.47Å; L190-L228 HydrophobicContact CD1-CB 4.47Å; L190-L228 HydrophobicContact CD2-CB 3.89Å; L190-L228 HydrophobicContact CG-CB 4.28Å; L200-L228 HydrophobicContact CD1-CD2 4.29Å; L200-L228 HydrophobicContact CD2-CD2 3.77Å; L200-L228 HydrophobicContact CG-CD2 4.07Å; I204-L228 HydrophobicContact CD1-CD2 3.58Å; V223-L228 HydrophobicContact CG2-CD1 4.15Å; L228-L230 HydrophobicContact CD1-CD2 4.35Å; L228-L230 HydrophobicContact CD2-CD2 3.81Å; L228-L230 HydrophobicContact CG-CD2 3.91Å
229	W	85.8	Confident	84.6	Confident	22 Å²	22	30.5 Å²	30.5	8%	0.083	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	119.4	175.1	-73.8	27.5	0	0	0	109.3	I155 I185 R187 S221 F222 V224 E227	I155-W229 HydrophobicContact CG2-CZ3 4.35Å; I185-W229 HydrophobicContact CD1-CE3 4.04Å; I185-W229 HydrophobicContact CD1-CZ3 4.13Å; I185-W229 HydrophobicContact CG2-CB 3.86Å; I185-W229 HydrophobicContact CG2-CD2 3.88Å; I185-W229 HydrophobicContact CG2-CE3 3.73Å; I185-W229 HydrophobicContact CG2-CG 3.97Å; R187-W229 HydrophobicContact CG-CD2 4.18Å; R187-W229 HydrophobicContact CG-CG 4.15Å; R187-W229 HydrophobicContact CG-CZ2 4.42Å; S221-W229 WeakPolarHBondContact CA-O 3.46Å; S221-W229 WeakPolarHBondContact CB-O 3.45Å; F222-W229 HydrophobicContact CD2-CB 4.22Å; F222-W229 HydrophobicContact CE2-CB 3.98Å; F222-W229 HydrophobicContact CE2-CD2 4.24Å; F222-W229 AromaticContact CE2-CE3 3.76Å; F222-W229 HydrophobicContact CE2-CE3 3.76Å; F222-W229 HydrophobicContact CE2-CG 4.36Å; F222-W229 HydrophobicContact CZ-CB 4.4Å; F222-W229 HydrophobicContact CZ-CE3 4.12Å; F222-W229 PolarHBondContact N-O 2.92Å; F222-W229 PolarHBondContact O-N 3.14Å; V224-W229 HydrophobicContact CB-CD2 4.14Å; V224-W229 HydrophobicContact CB-CG 4.3Å; V224-W229 HydrophobicContact CB-CZ2 4.27Å; V224-W229 HydrophobicContact CG1-CZ2 4.15Å; V224-W229 HydrophobicContact CG2-CB 4.49Å; V224-W229 HydrophobicContact CG2-CD2 3.59Å; V224-W229 HydrophobicContact CG2-CE3 3.97Å; V224-W229 HydrophobicContact CG2-CG 3.82Å; V224-W229 HydrophobicContact CG2-CZ2 4.33Å; V224-W229 HydrophobicContact CG2-CZ3 4.49Å; E227-W229 PolarHBondContact OE2-NE1 2.91Å
230	L	85.6	Confident	84.9	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	117.5	172.8	-51.2	177.2	0	0	0	109.2	I185 K186 I188 I204 M207 Y218 S221 L228 M232 V307	I185-L230 CarbonylContact C-O 3.43Å; I185-L230 VanDerWaalsContact CA-O 3.31Å; I185-L230 WeakPolarHBondContact CA-O 3.28Å; K186-L230 HydrophobicContact CB-CB 4.31Å; K186-L230 PolarHBondContact N-O 3.31Å; K186-L230 PolarHBondContact O-N 3.49Å; I188-L230 HydrophobicContact CD1-CD1 3.57Å; I188-L230 HydrophobicContact CD1-CG 4.04Å; I204-L230 HydrophobicContact CD1-CD2 4.24Å; I204-L230 HydrophobicContact CG1-CD2 4.34Å; M207-L230 HydrophobicContact CE-CD1 4.32Å; M207-L230 HydrophobicContact CE-CD2 4.39Å; Y218-L230 HydrophobicContact CE2-CD2 4.42Å; S221-L230 VanDerWaalsContact CB-CD2 3.41Å; L228-L230 HydrophobicContact CD1-CD2 4.35Å; L228-L230 HydrophobicContact CD2-CD2 3.81Å; L228-L230 HydrophobicContact CG-CD2 3.91Å; L230-M232 HydrophobicContact CB-CE 4.05Å; L230-V307 HydrophobicContact CD1-CG2 3.28Å
231	V	87.6	Confident	85	Confident	5 Å²	5	28.9 Å²	28.9	3%	0.03	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	126.8	178.1	-172	0	0	0	0	109.5	V183 I185 Y219 T220 F222	V183-V231 HydrophobicContact CB-CG1 3.89Å; V183-V231 HydrophobicContact CG1-CG1 4.15Å; V183-V231 HydrophobicContact CG2-CG1 3.88Å; I185-V231 HydrophobicContact CG1-CG2 4.37Å; Y219-V231 HydrophobicContact CD2-CG1 4.3Å; Y219-V231 PolarHBondContact N-O 3.31Å; T220-V231 HydrophobicContact CG2-CB 4.06Å; T220-V231 HydrophobicContact CG2-CG2 4.09Å; T220-V231 PolarHBondContact N-O 3.36Å; T220-V231 PolarHBondContact O-N 3.1Å; F222-V231 HydrophobicContact CE1-CG2 3.6Å; F222-V231 HydrophobicContact CZ-CG2 4.01Å
232	M	89.8	Confident	85.1	Confident	22 Å²	22	31.2 Å²	31.2	11%	0.108	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	163.4	-177	65.8	-168.7	68.3	0	0	111.6	A184 K186 V216 T217 L230 L234	A184-M232 HydrophobicContact CB-CG 3.81Å; A184-M232 PolarHBondContact N-O 3.24Å; A184-M232 PolarHBondContact O-N 3.07Å; K186-M232 HydrophobicContact CB-CE 3.69Å; K186-M232 HydrophobicContact CD-CE 4.43Å; V216-M232 HydrophobicContact CG1-CB 4.09Å; V216-M232 HydrophobicContact CG1-CG 4.24Å; V216-M232 HydrophobicContact CG1-SD 4.2Å; T217-M232 CarbonylContact O-C 3.56Å; T217-M232 VanDerWaalsContact O-CA 3.28Å; T217-M232 WeakPolarHBondContact O-CA 3.44Å; T217-M232 WeakPolarHBondContact O-CB 3.47Å; L230-M232 HydrophobicContact CB-CE 4.05Å; M232-L234 PolarHBondContact O-N 3.03Å
233	K	90.7	Very high	85.5	Confident	58 Å²	58	29.4 Å²	29.4	25%	0.252	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	129.9	176	-177.5	-177.4	175.2	-167.9	0	111.2	T217 L235	T217-K233 PolarHBondContact O-N 2.86Å; K233-L235 HydrophobicContact CD-CD2 4.11Å; K233-L235 HydrophobicContact CG-CD2 4.36Å; K233-L235 PolarHBondContact O-N 3.23Å
234	L	89.6	Confident	85.8	Confident	32 Å²	32	28.1 Å²	28.1	17%	0.168	14%	0.142	C	C	.	.			trans	-78.1	115.8	174.6	-177.7	62.4	0	0	0	110.6	A173 R182 A184 M232	A173-L234 HydrophobicContact CB-CD1 4.4Å; A173-L234 HydrophobicContact CB-CD2 4.32Å; R182-L234 HydrophobicContact CB-CD2 3.87Å; R182-L234 VanDerWaalsContact O-CB 3.3Å; R182-L234 WeakPolarHBondContact O-CB 3.43Å; A184-L234 HydrophobicContact CB-CD1 3.98Å; M232-L234 PolarHBondContact O-N 3.03Å
235	L	91.3	Very high	86.1	Confident	13 Å²	13	31.7 Å²	31.7	7%	0.068	16%	0.155	C	C	.	.			trans	-98	88.7	171.1	-68.5	-173.7	0	0	0	110.6	V216 K233 G237 G238 L293 L294 Q301	V216-L235 HydrophobicContact CG2-CD1 3.85Å; K233-L235 HydrophobicContact CD-CD2 4.11Å; K233-L235 HydrophobicContact CG-CD2 4.36Å; K233-L235 PolarHBondContact O-N 3.23Å; L235-G237 PolarHBondContact O-N 2.66Å; L235-G237 VanDerWaalsContact O-N 3.15Å; L235-G238 PolarHBondContact O-N 2.61Å; L235-L293 HydrophobicContact CB-CB 4.03Å; L235-L293 HydrophobicContact CB-CD1 4.34Å; L235-L293 HydrophobicContact CD1-CB 3.52Å; L235-L293 HydrophobicContact CD1-CD1 4.4Å; L235-L293 HydrophobicContact CG-CB 4.43Å; L235-L294 CarbonylContact C-O 3.57Å; L235-L294 WeakPolarHBondContact CB-O 3.38Å; L235-Q301 HydrophobicContact CD1-CB 3.74Å; L235-Q301 HydrophobicContact CD1-CG 3.86Å
236	S	87.1	Confident	86.1	Confident	15 Å²	15	25 Å²	25	11%	0.105	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.5	-175.5	-74.1	0	0	0	0	115	G238 E296 R454	S236-G238 PolarHBondContact O-N 2.98Å; S236-E296 WeakPolarHBondContact CB-OE1 3.25Å; S236-E296 PolarHBondContact OG-OE1 3.31Å; S236-R454 VanDerWaalsContact O-CZ 3.27Å; S236-R454 PolarHBondContact O-NH1 3.47Å; S236-R454 PolarHBondContact O-NH2 2.88Å
237	G	86.1	Confident	86.2	Confident	7 Å²	7	22.8 Å²	22.8	7%	0.072	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.2	179	0	0	0	0	0	113.3	L235 L294 R454	L235-G237 PolarHBondContact O-N 2.66Å; L235-G237 VanDerWaalsContact O-N 3.15Å; G237-L294 WeakPolarHBondContact CA-O 3.27Å; G237-L294 PolarHBondContact N-O 3.35Å; G237-R454 PolarHBondContact O-NH2 3.39Å; G237-R454 VanDerWaalsContact O-NH2 3.12Å
238	G	87.8	Confident	85.6	Confident	6 Å²	6	24 Å²	24	6%	0.062	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.6	-170.1	-179.6	0	0	0	0	0	112.9	L235 S236 L293 L294 R454	L235-G238 PolarHBondContact O-N 2.61Å; S236-G238 PolarHBondContact O-N 2.98Å; G238-L293 WeakPolarHBondContact O-CA 3.29Å; G238-L294 PolarHBondContact O-N 3.13Å; G238-R454 VanDerWaalsContact CA-NH1 3.26Å
239	S	91	Very high	84.9	Confident	9 Å²	9	31.5 Å²	31.5	6%	0.063	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	155.6	-179.4	68.5	0	0	0	0	112.6	L241 D242 I243 G290 I292	S239-L241 PolarHBondContact O-N 3.2Å; S239-D242 WeakPolarHBondContact CB-OD2 3.37Å; S239-D242 PolarHBondContact N-OD2 3.41Å; S239-D242 WeakPolarHBondContact O-CB 3.36Å; S239-D242 PolarHBondContact O-N 2.84Å; S239-D242 PolarHBondContact OG-N 2.66Å; S239-D242 PolarHBondContact OG-OD2 2.85Å; S239-I243 PolarHBondContact O-N 2.85Å; S239-G290 VanDerWaalsContact CB-O 3.31Å; S239-G290 WeakPolarHBondContact CB-O 3.33Å; S239-I292 CarbonylContact C-O 3.57Å; S239-I292 VanDerWaalsContact CA-O 3.3Å; S239-I292 WeakPolarHBondContact CA-O 3.3Å
240	M	91.4	Very high	83.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.1	-31.3	169.3	-72.8	-54.7	-46.8	0	0	112	I243 I244 L258 I266 A289 I292 L294 L360 L444	M240-I243 HydrophobicContact CE-CD1 4.4Å; M240-I243 PolarHBondContact O-N 3.49Å; M240-I243 HydrophobicContact SD-CD1 4.02Å; M240-I244 VanDerWaalsContact O-CG1 3.31Å; M240-I244 WeakPolarHBondContact O-CG1 3.34Å; M240-I244 PolarHBondContact O-N 3.08Å; M240-L258 HydrophobicContact CE-CD1 3.47Å; M240-L258 VanDerWaalsContact CE-CD1 3.47Å; M240-I266 HydrophobicContact CE-CD1 3.56Å; M240-I266 HydrophobicContact CG-CD1 4.44Å; M240-I266 HydrophobicContact CG-CG2 4.34Å; M240-I266 HydrophobicContact SD-CD1 3.6Å; M240-I266 VanDerWaalsContact SD-CD1 3.6Å; M240-I266 HydrophobicContact SD-CG1 4.34Å; M240-A289 HydrophobicContact CB-CB 3.9Å; M240-A289 WeakPolarHBondContact CB-O 3.42Å; M240-A289 PolarHBondContact N-O 3.38Å; M240-I292 HydrophobicContact CB-CB 4.43Å; M240-I292 HydrophobicContact CG-CB 4.02Å; M240-I292 HydrophobicContact CG-CG2 3.71Å; M240-I292 PolarHBondContact N-O 3.48Å; M240-L294 HydrophobicContact SD-CD1 3.82Å; M240-L294 HydrophobicContact SD-CD2 4.26Å; M240-L294 HydrophobicContact SD-CG 4.11Å; M240-L360 HydrophobicContact CB-CD2 3.83Å; M240-L360 HydrophobicContact CE-CD2 4.08Å; M240-L360 HydrophobicContact CG-CD2 4.17Å; M240-L444 HydrophobicContact CE-CD2 4.01Å; M240-L444 HydrophobicContact SD-CD2 3.99Å
241	L	88.6	Confident	82	Confident	45 Å²	45	45 Å²	45	24%	0.236	22%	0.223	C	C	.	.	H	α-helix	trans	-64.8	-34.8	172.7	-176.3	62	0	0	0	113.1	S239 I243 K245 A289	S239-L241 PolarHBondContact O-N 3.2Å; L241-I243 VanDerWaalsContact C-N 3.34Å; L241-K245 HydrophobicContact CD1-CD 4.37Å; L241-K245 HydrophobicContact CD1-CG 4.45Å; L241-K245 HydrophobicContact CG-CD 4.11Å; L241-K245 VanDerWaalsContact O-CB 3.29Å; L241-K245 WeakPolarHBondContact O-CB 3.38Å; L241-K245 WeakPolarHBondContact O-CD 3.09Å; L241-K245 WeakPolarHBondContact O-CG 3.39Å; L241-K245 PolarHBondContact O-N 3.48Å; L241-A289 PolarHBondContact N-O 2.88Å; L241-A289 VanDerWaalsContact N-O 3.09Å
242	D	85.6	Confident	80.3	Confident	52 Å²	52	47.2 Å²	47.2	28%	0.278	24%	0.235	S	C	.	.	H	α-helix	trans	-65.4	-39.8	173.7	-64.9	-55.7	0	0	0	111.4	S239 K245 H246	S239-D242 WeakPolarHBondContact CB-OD2 3.37Å; S239-D242 PolarHBondContact N-OD2 3.41Å; S239-D242 WeakPolarHBondContact O-CB 3.36Å; S239-D242 PolarHBondContact O-N 2.84Å; S239-D242 PolarHBondContact OG-N 2.66Å; S239-D242 PolarHBondContact OG-OD2 2.85Å; D242-K245 PolarHBondContact O-N 2.72Å; D242-H246 PolarHBondContact O-N 2.73Å
243	I	87.1	Confident	78.5	Confident	5 Å²	5	55.1 Å²	55.1	3%	0.026	27%	0.268	C	S	.	.	H	α-helix	trans	-68.2	-46.9	179.4	-63.1	168.3	0	0	0	110.1	S239 M240 L241 K245 H246 A247 L294 L444 A448	S239-I243 PolarHBondContact O-N 2.85Å; M240-I243 HydrophobicContact CE-CD1 4.4Å; M240-I243 PolarHBondContact O-N 3.49Å; M240-I243 HydrophobicContact SD-CD1 4.02Å; L241-I243 VanDerWaalsContact C-N 3.34Å; I243-K245 VanDerWaalsContact C-N 3.31Å; I243-K245 PolarHBondContact O-N 3.18Å; I243-H246 WeakPolarHBondContact O-CB 3.14Å; I243-H246 PolarHBondContact O-N 3.2Å; I243-A247 VanDerWaalsContact O-CB 3.28Å; I243-A247 WeakPolarHBondContact O-CB 3.47Å; I243-A247 PolarHBondContact O-N 2.66Å; I243-L294 HydrophobicContact CD1-CD1 3.58Å; I243-L294 HydrophobicContact CD1-CG 4.5Å; I243-L444 HydrophobicContact CD1-CD2 4.28Å; I243-L444 HydrophobicContact CD1-CG 4.28Å; I243-L444 HydrophobicContact CG2-CD1 3.81Å; I243-L444 HydrophobicContact CG2-CG 4.37Å; I243-A448 HydrophobicContact CD1-CB 4.23Å; I243-A448 HydrophobicContact CG1-CB 4.03Å
244	I	85.6	Confident	76.5	Confident	11 Å²	11	58.6 Å²	58.6	6%	0.056	29%	0.29	C	S	.	.	H	α-helix	trans	-56.3	-44.3	172.9	-72.2	164.7	0	0	0	111.3	M240 H246 A247 S248 A289 L360	M240-I244 VanDerWaalsContact O-CG1 3.31Å; M240-I244 WeakPolarHBondContact O-CG1 3.34Å; M240-I244 PolarHBondContact O-N 3.08Å; I244-H246 VanDerWaalsContact C-N 3.28Å; I244-H246 PolarHBondContact O-N 2.98Å; I244-A247 PolarHBondContact O-N 2.64Å; I244-S248 WeakPolarHBondContact O-CB 3.31Å; I244-S248 PolarHBondContact O-N 2.91Å; I244-S248 PolarHBondContact O-OG 2.78Å; I244-A289 HydrophobicContact CD1-CB 4.24Å; I244-L360 HydrophobicContact CD1-CD2 4.08Å
245	K	82.4	Confident	74.7	Confident	109 Å²	109	58.7 Å²	58.7	47%	0.474	29%	0.29	S	S	.	.	H	α-helix	trans	-69.6	-20.3	177.1	-75.9	170.3	179.4	170.4	0	114	L241 D242 I243 K249	L241-K245 HydrophobicContact CD1-CD 4.37Å; L241-K245 HydrophobicContact CD1-CG 4.45Å; L241-K245 HydrophobicContact CG-CD 4.11Å; L241-K245 VanDerWaalsContact O-CB 3.29Å; L241-K245 WeakPolarHBondContact O-CB 3.38Å; L241-K245 WeakPolarHBondContact O-CD 3.09Å; L241-K245 WeakPolarHBondContact O-CG 3.39Å; L241-K245 PolarHBondContact O-N 3.48Å; D242-K245 PolarHBondContact O-N 2.72Å; I243-K245 VanDerWaalsContact C-N 3.31Å; I243-K245 PolarHBondContact O-N 3.18Å; K245-K249 VanDerWaalsContact O-CD 3.31Å; K245-K249 WeakPolarHBondContact O-CD 3.42Å; K245-K249 WeakPolarHBondContact O-CG 3.33Å
246	H	80	Confident	73.1	Confident	35 Å²	35	65.5 Å²	65.5	16%	0.162	32%	0.315	C	S	.	.	H	α-helix	trans	-81.7	-52.2	171.7	-161.3	-93.5	0	0	0	110.6	D242 I243 I244 S248 K249 E250 P449	D242-H246 PolarHBondContact O-N 2.73Å; I243-H246 WeakPolarHBondContact O-CB 3.14Å; I243-H246 PolarHBondContact O-N 3.2Å; I244-H246 VanDerWaalsContact C-N 3.28Å; I244-H246 PolarHBondContact O-N 2.98Å; H246-S248 PolarHBondContact O-N 2.68Å; H246-S248 VanDerWaalsContact O-N 3.13Å; H246-K249 PolarHBondContact O-N 3.07Å; H246-E250 IonicContact CE1-OE1 3.56Å; H246-E250 PolarHBondContact CE1-OE1 2.87Å; H246-E250 VanDerWaalsContact CE1-OE1 3.29Å; H246-E250 PolarHBondContact O-N 3.2Å; H246-P449 HydrophobicContact CB-CG 3.98Å
247	A	76.1	Confident	72.2	Confident	4 Å²	4	65.2 Å²	65.2	3%	0.033	31%	0.314	C	S	.	.	H	α-helix	trans	-55.8	-28.4	177.4	0	0	0	0	0	113.8	I243 I244 K249 L255	I243-A247 VanDerWaalsContact O-CB 3.28Å; I243-A247 WeakPolarHBondContact O-CB 3.47Å; I243-A247 PolarHBondContact O-N 2.66Å; I244-A247 PolarHBondContact O-N 2.64Å; A247-K249 VanDerWaalsContact C-N 3.34Å; A247-L255 HydrophobicContact CB-CB 3.98Å; A247-L255 HydrophobicContact CB-CD2 3.76Å; A247-L255 HydrophobicContact CB-CG 4.41Å; A247-L255 WeakPolarHBondContact CB-O 3.39Å
248	S	67.9	Low	72.3	Confident	54 Å²	54	65.3 Å²	65.3	38%	0.378	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	0.8	176.4	-56.9	0	0	0	0	114.9	I244 H246	I244-S248 WeakPolarHBondContact O-CB 3.31Å; I244-S248 PolarHBondContact O-N 2.91Å; I244-S248 PolarHBondContact O-OG 2.78Å; H246-S248 PolarHBondContact O-N 2.68Å; H246-S248 VanDerWaalsContact O-N 3.13Å
249	K	65.3	Low	72.4	Confident	156 Å²	156	68.6 Å²	68.6	68%	0.678	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.1	-18.7	-175.1	-72.6	-177.7	-177.6	-175.6	0	114.8	K245 H246 A247	K245-K249 VanDerWaalsContact O-CD 3.31Å; K245-K249 WeakPolarHBondContact O-CD 3.42Å; K245-K249 WeakPolarHBondContact O-CG 3.33Å; H246-K249 PolarHBondContact O-N 3.07Å; A247-K249 VanDerWaalsContact C-N 3.34Å
250	E	60.5	Low	72.6	Confident	110 Å²	110	69.6 Å²	69.6	51%	0.514	33%	0.332	S	S	.	.	S	Bend	trans	-87.6	150.9	168.7	-56.7	-161.9	159.2	0	0	108.9	H246 D252	H246-E250 IonicContact CE1-OE1 3.56Å; H246-E250 PolarHBondContact CE1-OE1 2.87Å; H246-E250 VanDerWaalsContact CE1-OE1 3.29Å; H246-E250 PolarHBondContact O-N 3.2Å; E250-D252 PolarHBondContact O-N 2.99Å; E250-D252 VanDerWaalsContact O-N 3.13Å
251	E	51.6	Low	72.8	Confident	196 Å²	196	71.2 Å²	71.2	92%	0.916	34%	0.343	S	S	*	.	S	Bend	trans	-72.8	-3.2	-175.5	-59.2	-172.3	149.8	0	0	113.3	K253	E251-K253 PolarHBondContact O-N 2.83Å
252	D	51.4	Low	73.1	Confident	52 Å²	52	69.6 Å²	69.6	28%	0.278	33%	0.334	S	S	.	.			trans	-67.6	87.8	173.9	-174.5	10.5	0	0	0	111.5	E250 N254 L255	E250-D252 PolarHBondContact O-N 2.99Å; E250-D252 VanDerWaalsContact O-N 3.13Å; D252-N254 PolarHBondContact O-N 3.13Å; D252-N254 VanDerWaalsContact OD1-CB 3.25Å; D252-N254 WeakPolarHBondContact OD1-CB 3.43Å; D252-N254 PolarHBondContact OD1-N 3.13Å; D252-N254 VanDerWaalsContact OD1-N 3.14Å; D252-N254 PolarHBondContact OD1-ND2 2.88Å; D252-L255 PolarHBondContact O-N 3.04Å
253	K	51.8	Low	73.6	Confident	188 Å²	188	67.1 Å²	67.1	82%	0.817	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-22.9	176	-64.6	-178.9	-177.7	177	0	113.7	E251 L255	E251-K253 PolarHBondContact O-N 2.83Å; K253-L255 VanDerWaalsContact C-N 3.28Å; K253-L255 PolarHBondContact O-N 3.01Å
254	N	49	Very low	74.1	Confident	132 Å²	132	66.9 Å²	66.9	71%	0.706	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-27.6	179.1	-57.4	-72.1	0	0	0	112.7	D252	D252-N254 PolarHBondContact O-N 3.13Å; D252-N254 VanDerWaalsContact OD1-CB 3.25Å; D252-N254 WeakPolarHBondContact OD1-CB 3.43Å; D252-N254 PolarHBondContact OD1-N 3.13Å; D252-N254 VanDerWaalsContact OD1-N 3.14Å; D252-N254 PolarHBondContact OD1-ND2 2.88Å
255	L	51.9	Low	74.7	Confident	33 Å²	33	66.6 Å²	66.6	17%	0.173	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-21.3	-173.7	-112.9	164	0	0	0	113.5	A247 D252 K253 A257	A247-L255 HydrophobicContact CB-CB 3.98Å; A247-L255 HydrophobicContact CB-CD2 3.76Å; A247-L255 HydrophobicContact CB-CG 4.41Å; A247-L255 WeakPolarHBondContact CB-O 3.39Å; D252-L255 PolarHBondContact O-N 3.04Å; K253-L255 VanDerWaalsContact C-N 3.28Å; K253-L255 PolarHBondContact O-N 3.01Å; L255-A257 PolarHBondContact O-N 3.4Å
256	R	57.9	Low	75.5	Confident	157 Å²	157	61.4 Å²	61.4	59%	0.592	30%	0.296	S	S	*	.	S	Bend	trans	-61.3	-12.1	-172.5	-152.1	178.1	-167.7	-173.7	4.8	115.3
257	A	68.1	Low	76.3	Confident	9 Å²	9	59.8 Å²	59.8	7%	0.074	29%	0.288	C	S	.	.	S	Bend	trans	-145.7	123.4	-179.7	0	0	0	0	0	108.9	L255 A361 I396 K399 Y400	L255-A257 PolarHBondContact O-N 3.4Å; A257-A361 WeakPolarHBondContact CB-O 3.4Å; A257-I396 HydrophobicContact CB-CG2 3.81Å; A257-K399 PolarHBondContact O-NZ 2.9Å; A257-Y400 WeakPolarHBondContact CB-OH 3.49Å
258	L	86.9	Confident	77.4	Confident	9 Å²	9	62.4 Å²	62.4	5%	0.047	30%	0.299	C	S	.	.			trans	-72.5	147.9	-174.6	-61.4	174	0	0	0	112.2	M240 I263 L360 Y400 L444	M240-L258 HydrophobicContact CE-CD1 3.47Å; M240-L258 VanDerWaalsContact CE-CD1 3.47Å; L258-I263 HydrophobicContact CB-CD1 4Å; L258-I263 HydrophobicContact CB-CG1 3.68Å; L258-I263 WeakPolarHBondContact O-CD1 3.36Å; L258-L360 WeakPolarHBondContact CB-O 3.4Å; L258-L360 HydrophobicContact CD1-CB 4.38Å; L258-L360 HydrophobicContact CD1-CD2 4.26Å; L258-L360 WeakPolarHBondContact CG-O 3.49Å; L258-Y400 WeakPolarHBondContact O-CE1 3.24Å; L258-Y400 PolarHBondContact O-OH 3.47Å; L258-L444 HydrophobicContact CD2-CD1 3.84Å
259	D	90	Very high	78.8	Confident	75 Å²	75	61.1 Å²	61.1	40%	0.401	29%	0.287	S	S	.	.			trans	-77.4	149.6	179.1	-70.1	-34	0	0	0	112.9	P261 I262 I263 K399	D259-P261 VanDerWaalsContact C-CD 3.4Å; D259-P261 VanDerWaalsContact C-N 3.33Å; D259-P261 VanDerWaalsContact O-N 3.15Å; D259-I262 WeakPolarHBondContact O-CB 3.31Å; D259-I262 PolarHBondContact O-N 2.82Å; D259-I263 PolarHBondContact O-N 2.94Å; D259-K399 WeakPolarHBondContact OD1-CE 3.27Å; D259-K399 IonicContact OD1-NZ 2.87Å; D259-K399 PolarHBondContact OD1-NZ 2.95Å
260	E	95	Very high	80.4	Confident	29 Å²	29	53.8 Å²	53.8	14%	0.136	26%	0.255	C	S	.	.	H	α-helix	trans	-49.7	-39.5	-177.6	-72.5	-168.4	128.8	0	0	115	A264 Y400 G401 F404 F430 K433	E260-A264 WeakPolarHBondContact O-CB 3.44Å; E260-A264 PolarHBondContact O-N 2.7Å; E260-Y400 HydrophobicContact CG-CD1 3.84Å; E260-Y400 HydrophobicContact CG-CE1 4.36Å; E260-G401 PolarHBondContact OE1-N 2.88Å; E260-F404 WeakPolarHBondContact OE1-CB 3.32Å; E260-F430 HydrophobicContact CB-CE2 3.86Å; E260-F430 HydrophobicContact CB-CZ 4.37Å; E260-F430 HydrophobicContact CG-CE2 3.88Å; E260-K433 HydrophobicContact CB-CD 4.21Å; E260-K433 VanDerWaalsContact CD-NZ 3.27Å; E260-K433 IonicContact OE1-NZ 2.58Å; E260-K433 PolarHBondContact OE1-NZ 3.15Å; E260-K433 IonicContact OE2-NZ 3.72Å; E260-K433 PolarHBondContact OE2-NZ 3.16Å
261	P	95.8	Very high	82.2	Confident	34 Å²	34	48.5 Å²	48.5	22%	0.221	23%	0.231	C	C	.	.	H	α-helix	trans	-67.5	-35.8	177.1	-20.9	34.7	0	0	0	113.2	D259 T265 K435 Y439	D259-P261 VanDerWaalsContact C-CD 3.4Å; D259-P261 VanDerWaalsContact C-N 3.33Å; D259-P261 VanDerWaalsContact O-N 3.15Å; P261-T265 WeakPolarHBondContact O-CB 3.01Å; P261-T265 PolarHBondContact O-N 2.79Å; P261-T265 PolarHBondContact O-OG1 3.15Å; P261-K435 HydrophobicContact CB-CG 4.27Å; P261-Y439 HydrophobicContact CB-CE1 4.03Å
262	I	95.3	Very high	84.5	Confident	12 Å²	12	41.9 Å²	41.9	6%	0.062	20%	0.2	C	C	.	.	H	α-helix	trans	-67.1	-50.6	176.2	-63	176	0	0	0	108.9	D259 A264 T265 I266 Y439 L440 K443 L444	D259-I262 WeakPolarHBondContact O-CB 3.31Å; D259-I262 PolarHBondContact O-N 2.82Å; I262-A264 PolarHBondContact O-N 2.8Å; I262-T265 PolarHBondContact O-N 2.69Å; I262-I266 HydrophobicContact CG2-CD1 3.73Å; I262-I266 WeakPolarHBondContact O-CD1 3.44Å; I262-I266 WeakPolarHBondContact O-CG1 3.46Å; I262-I266 PolarHBondContact O-N 3.16Å; I262-Y439 HydrophobicContact CG1-CE1 3.82Å; I262-L440 HydrophobicContact CG2-CD2 4.04Å; I262-K443 HydrophobicContact CD1-CB 4.27Å; I262-L444 HydrophobicContact CG2-CD1 4.19Å; I262-L444 HydrophobicContact CG2-CD2 4.04Å
263	I	96.6	Very high	86.6	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.9	-46.2	177.2	-61.2	-179.4	0	0	0	110.8	L258 D259 T265 I266 L267 L360 A361 Y400 F404 F430	L258-I263 HydrophobicContact CB-CD1 4Å; L258-I263 HydrophobicContact CB-CG1 3.68Å; L258-I263 WeakPolarHBondContact O-CD1 3.36Å; D259-I263 PolarHBondContact O-N 2.94Å; I263-T265 VanDerWaalsContact C-N 3.32Å; I263-T265 PolarHBondContact O-N 3.05Å; I263-I266 PolarHBondContact O-N 3.15Å; I263-L267 HydrophobicContact CG2-CD1 3.57Å; I263-L267 HydrophobicContact CG2-CG 3.96Å; I263-L267 VanDerWaalsContact O-CB 3.29Å; I263-L267 WeakPolarHBondContact O-CB 3.21Å; I263-L267 VanDerWaalsContact O-CG 3.29Å; I263-L267 WeakPolarHBondContact O-CG 3.42Å; I263-L267 PolarHBondContact O-N 3.4Å; I263-L360 HydrophobicContact CD1-CB 4.28Å; I263-L360 HydrophobicContact CG1-CB 4.18Å; I263-L360 HydrophobicContact CG2-CB 4.4Å; I263-L360 HydrophobicContact CG2-CD1 4.31Å; I263-A361 HydrophobicContact CD1-CB 3.88Å; I263-Y400 HydrophobicContact CD1-CE1 3.94Å; I263-F404 HydrophobicContact CD1-CZ 4.24Å; I263-F404 HydrophobicContact CG2-CE2 3.74Å; I263-F404 HydrophobicContact CG2-CZ 3.99Å; I263-F430 HydrophobicContact CB-CZ 4.16Å; I263-F430 HydrophobicContact CG2-CE1 4.1Å; I263-F430 HydrophobicContact CG2-CZ 3.94Å
264	A	97.9	Very high	88.8	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.2	-37.5	178.5	0	0	0	0	0	112.7	E260 I262 K268 F430 K433 A434	E260-A264 WeakPolarHBondContact O-CB 3.44Å; E260-A264 PolarHBondContact O-N 2.7Å; I262-A264 PolarHBondContact O-N 2.8Å; A264-K268 VanDerWaalsContact O-CB 3.28Å; A264-K268 WeakPolarHBondContact O-CB 3.09Å; A264-K268 PolarHBondContact O-N 2.93Å; A264-F430 HydrophobicContact CB-CD1 4.13Å; A264-F430 HydrophobicContact CB-CE1 3.65Å; A264-F430 HydrophobicContact CB-CZ 3.88Å; A264-F430 WeakPolarHBondContact CB-O 3.37Å; A264-K433 HydrophobicContact CB-CB 3.88Å; A264-A434 HydrophobicContact CB-CB 4.36Å
265	T	98	Very high	91.1	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.031	12%	0.119	C	C	.	.	H	α-helix	trans	-66.9	-48	177	-50	0	0	0	0	111.1	P261 I262 I263 K268 E269 A434 K435 L440	P261-T265 WeakPolarHBondContact O-CB 3.01Å; P261-T265 PolarHBondContact O-N 2.79Å; P261-T265 PolarHBondContact O-OG1 3.15Å; I262-T265 PolarHBondContact O-N 2.69Å; I263-T265 VanDerWaalsContact C-N 3.32Å; I263-T265 PolarHBondContact O-N 3.05Å; T265-K268 PolarHBondContact O-N 3.23Å; T265-E269 WeakPolarHBondContact O-CG 3.44Å; T265-E269 PolarHBondContact O-N 2.87Å; T265-A434 WeakPolarHBondContact OG1-CA 3.41Å; T265-K435 WeakPolarHBondContact CG2-O 3.33Å; T265-K435 PolarHBondContact OG1-N 3.13Å; T265-L440 HydrophobicContact CG2-CD1 3.77Å; T265-L440 HydrophobicContact CG2-CD2 4.28Å; T265-L440 HydrophobicContact CG2-CG 3.93Å
266	I	97.8	Very high	93.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63	-50	178.2	-63.9	159	0	0	0	110.8	M240 I262 I263 K268 E269 V270 I292 V300 L360 L440 L444	M240-I266 HydrophobicContact CE-CD1 3.56Å; M240-I266 HydrophobicContact CG-CD1 4.44Å; M240-I266 HydrophobicContact CG-CG2 4.34Å; M240-I266 HydrophobicContact SD-CD1 3.6Å; M240-I266 VanDerWaalsContact SD-CD1 3.6Å; M240-I266 HydrophobicContact SD-CG1 4.34Å; I262-I266 HydrophobicContact CG2-CD1 3.73Å; I262-I266 WeakPolarHBondContact O-CD1 3.44Å; I262-I266 WeakPolarHBondContact O-CG1 3.46Å; I262-I266 PolarHBondContact O-N 3.16Å; I263-I266 PolarHBondContact O-N 3.15Å; I266-K268 VanDerWaalsContact C-N 3.31Å; I266-K268 PolarHBondContact O-N 3Å; I266-E269 PolarHBondContact O-N 3.3Å; I266-V270 HydrophobicContact CG2-CG2 4.45Å; I266-V270 WeakPolarHBondContact O-CG2 3.25Å; I266-V270 PolarHBondContact O-N 3.39Å; I266-I292 HydrophobicContact CG2-CD1 4.42Å; I266-I292 HydrophobicContact CG2-CG2 3.85Å; I266-V300 HydrophobicContact CG2-CG1 4.16Å; I266-L360 HydrophobicContact CB-CD1 4.46Å; I266-L360 HydrophobicContact CG2-CD1 4.03Å; I266-L440 HydrophobicContact CG1-CD1 4.41Å; I266-L440 HydrophobicContact CG1-CD2 4.36Å; I266-L444 HydrophobicContact CD1-CD2 4.15Å
267	L	98.3	Very high	94.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-67.3	-28.7	-177.9	-67.6	-174.9	0	0	0	112.8	I263 L271 F353 A357 L360 F404 L407 F430 I431	I263-L267 HydrophobicContact CG2-CD1 3.57Å; I263-L267 HydrophobicContact CG2-CG 3.96Å; I263-L267 VanDerWaalsContact O-CB 3.29Å; I263-L267 WeakPolarHBondContact O-CB 3.21Å; I263-L267 VanDerWaalsContact O-CG 3.29Å; I263-L267 WeakPolarHBondContact O-CG 3.42Å; I263-L267 PolarHBondContact O-N 3.4Å; L267-L271 WeakPolarHBondContact O-CB 3.31Å; L267-L271 VanDerWaalsContact O-CG 3.26Å; L267-L271 WeakPolarHBondContact O-CG 3.34Å; L267-L271 PolarHBondContact O-N 3.05Å; L267-F353 HydrophobicContact CB-CE2 3.86Å; L267-F353 HydrophobicContact CB-CZ 3.91Å; L267-F353 HydrophobicContact CD1-CE2 4.48Å; L267-F353 HydrophobicContact CD1-CZ 4.17Å; L267-F353 HydrophobicContact CD2-CD2 4.19Å; L267-F353 HydrophobicContact CD2-CE2 3.64Å; L267-F353 HydrophobicContact CD2-CZ 4.16Å; L267-F353 HydrophobicContact CG-CE2 4.18Å; L267-F353 HydrophobicContact CG-CZ 4.3Å; L267-A357 HydrophobicContact CD1-CB 3.65Å; L267-L360 HydrophobicContact CD2-CD1 3.76Å; L267-L360 HydrophobicContact CG-CD1 4.09Å; L267-F404 HydrophobicContact CD1-CE2 4.33Å; L267-L407 HydrophobicContact CD1-CD2 4.24Å; L267-F430 HydrophobicContact CD1-CE1 4.34Å; L267-I431 HydrophobicContact CB-CD1 4.43Å
268	K	98.5	Very high	96	Very high	60 Å²	60	18.3 Å²	18.3	26%	0.261	9%	0.09	S	C	.	.	H	α-helix	trans	-58.9	-58.1	170	-178.2	-167.9	166.9	-64.9	0	110.2	A264 T265 I266 V270 L271 E272 L426 I431 A434	A264-K268 VanDerWaalsContact O-CB 3.28Å; A264-K268 WeakPolarHBondContact O-CB 3.09Å; A264-K268 PolarHBondContact O-N 2.93Å; T265-K268 PolarHBondContact O-N 3.23Å; I266-K268 VanDerWaalsContact C-N 3.31Å; I266-K268 PolarHBondContact O-N 3Å; K268-V270 PolarHBondContact O-N 3.44Å; K268-L271 WeakPolarHBondContact O-CA 3.4Å; K268-L271 WeakPolarHBondContact O-CB 3.33Å; K268-L271 PolarHBondContact O-N 3.43Å; K268-E272 WeakPolarHBondContact CE-OE1 3.38Å; K268-E272 IonicContact NZ-OE1 3.81Å; K268-E272 PolarHBondContact NZ-OE1 2.99Å; K268-E272 WeakPolarHBondContact O-CG 3.44Å; K268-E272 PolarHBondContact O-N 3.17Å; K268-L426 HydrophobicContact CG-CD2 3.93Å; K268-I431 HydrophobicContact CB-CG2 3.91Å; K268-I431 HydrophobicContact CD-CG2 4.39Å; K268-I431 HydrophobicContact CG-CG2 3.85Å; K268-A434 HydrophobicContact CB-CB 4.4Å; K268-A434 HydrophobicContact CD-CB 4.16Å
269	E	98.2	Very high	96.3	Very high	27 Å²	27	25.7 Å²	25.7	13%	0.126	12%	0.118	C	C	.	.	H	α-helix	trans	-62.3	-33.3	-175.7	-62.7	-63.5	104.5	0	0	112	N214 T265 I266 E272 G273 V300	N214-E269 WeakPolarHBondContact CB-O 3.32Å; N214-E269 WeakPolarHBondContact ND2-CB 3.25Å; N214-E269 PolarHBondContact ND2-OE2 2.7Å; T265-E269 WeakPolarHBondContact O-CG 3.44Å; T265-E269 PolarHBondContact O-N 2.87Å; I266-E269 PolarHBondContact O-N 3.3Å; E269-E272 PolarHBondContact O-N 2.87Å; E269-G273 PolarHBondContact O-N 3.32Å; E269-G273 VanDerWaalsContact O-N 3.13Å; E269-V300 HydrophobicContact CB-CB 3.68Å; E269-V300 HydrophobicContact CB-CG1 4.08Å; E269-V300 HydrophobicContact CB-CG2 4.18Å; E269-V300 HydrophobicContact CG-CB 4.15Å; E269-V300 HydrophobicContact CG-CG2 4.18Å
270	V	98.3	Very high	96.1	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	12%	0.12	C	C	.	.	H	α-helix	trans	-65	-40.3	169.9	172.6	0	0	0	0	111.9	I266 K268 G273 L274 I292 V300 I302 F353	I266-V270 HydrophobicContact CG2-CG2 4.45Å; I266-V270 WeakPolarHBondContact O-CG2 3.25Å; I266-V270 PolarHBondContact O-N 3.39Å; K268-V270 PolarHBondContact O-N 3.44Å; V270-G273 PolarHBondContact O-N 3.48Å; V270-L274 HydrophobicContact CG1-CD1 4.09Å; V270-L274 HydrophobicContact CG1-CG 4.36Å; V270-L274 WeakPolarHBondContact O-CG 3.34Å; V270-L274 PolarHBondContact O-N 2.76Å; V270-I292 HydrophobicContact CG2-CD1 3.74Å; V270-I292 HydrophobicContact CG2-CG1 3.87Å; V270-I292 HydrophobicContact CG2-CG2 4.14Å; V270-V300 HydrophobicContact CG2-CG1 4.33Å; V270-I302 HydrophobicContact CG1-CD1 4Å; V270-I302 HydrophobicContact CG1-CG1 4.39Å; V270-I302 HydrophobicContact CG2-CG1 4.44Å; V270-F353 HydrophobicContact CG1-CD2 3.93Å; V270-F353 HydrophobicContact CG1-CE2 4.24Å
271	L	98.6	Very high	95.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67.2	-37.4	175.6	-73.6	168.9	0	0	0	112.7	L267 K268 G273 L274 D275 F353 A422 L425 L426 I431	L267-L271 WeakPolarHBondContact O-CB 3.31Å; L267-L271 VanDerWaalsContact O-CG 3.26Å; L267-L271 WeakPolarHBondContact O-CG 3.34Å; L267-L271 PolarHBondContact O-N 3.05Å; K268-L271 WeakPolarHBondContact O-CA 3.4Å; K268-L271 WeakPolarHBondContact O-CB 3.33Å; K268-L271 PolarHBondContact O-N 3.43Å; L271-G273 VanDerWaalsContact C-N 3.29Å; L271-G273 PolarHBondContact O-N 3.45Å; L271-L274 PolarHBondContact O-N 3.26Å; L271-D275 WeakPolarHBondContact O-CB 3.35Å; L271-D275 PolarHBondContact O-N 3.09Å; L271-F353 HydrophobicContact CD1-CE1 4.37Å; L271-F353 HydrophobicContact CD1-CE2 4.17Å; L271-F353 HydrophobicContact CD1-CZ 3.65Å; L271-F353 HydrophobicContact CD2-CD1 4.34Å; L271-F353 HydrophobicContact CD2-CD2 4.14Å; L271-F353 HydrophobicContact CD2-CE1 3.97Å; L271-F353 HydrophobicContact CD2-CE2 3.73Å; L271-F353 HydrophobicContact CD2-CG 4.43Å; L271-F353 HydrophobicContact CD2-CZ 3.65Å; L271-F353 HydrophobicContact CG-CD2 4.38Å; L271-F353 HydrophobicContact CG-CE1 4.33Å; L271-F353 HydrophobicContact CG-CE2 3.55Å; L271-F353 HydrophobicContact CG-CZ 3.54Å; L271-A422 HydrophobicContact CD2-CB 4.04Å; L271-L425 HydrophobicContact CD1-CB 3.65Å; L271-L425 HydrophobicContact CD2-CB 3.77Å; L271-L425 HydrophobicContact CD2-CD1 3.8Å; L271-L425 HydrophobicContact CD2-CG 4.45Å; L271-L425 HydrophobicContact CG-CB 4.37Å; L271-L426 HydrophobicContact CB-CD1 4.48Å; L271-L426 HydrophobicContact CB-CD2 3.58Å; L271-L426 HydrophobicContact CB-CG 3.78Å; L271-L426 HydrophobicContact CD1-CD2 4.24Å; L271-L426 HydrophobicContact CD1-CG 4.37Å; L271-I431 HydrophobicContact CD1-CD1 3.85Å; L271-I431 HydrophobicContact CD1-CG1 4.16Å
272	E	98.3	Very high	95.1	Very high	57 Å²	57	28.9 Å²	28.9	27%	0.266	15%	0.147	S	C	.	.	H	α-helix	trans	-60	-42.7	172.5	-52.4	-75.1	-173.9	0	0	110.3	H212 K268 E269 Y276 L426	H212-E272 PolarHBondContact CE1-O 2.97Å; K268-E272 WeakPolarHBondContact CE-OE1 3.38Å; K268-E272 IonicContact NZ-OE1 3.81Å; K268-E272 PolarHBondContact NZ-OE1 2.99Å; K268-E272 WeakPolarHBondContact O-CG 3.44Å; K268-E272 PolarHBondContact O-N 3.17Å; E269-E272 PolarHBondContact O-N 2.87Å; E272-Y276 PolarHBondContact O-N 3.34Å; E272-Y276 VanDerWaalsContact O-N 3.08Å; E272-L426 HydrophobicContact CG-CD2 4.2Å; E272-L426 WeakPolarHBondContact OE2-CD1 3.42Å
273	G	97	Very high	94.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.6	-45.4	175.8	0	0	0	0	0	113.8	E269 V270 L271 Y276 L277	E269-G273 PolarHBondContact O-N 3.32Å; E269-G273 VanDerWaalsContact O-N 3.13Å; V270-G273 PolarHBondContact O-N 3.48Å; L271-G273 VanDerWaalsContact C-N 3.29Å; L271-G273 PolarHBondContact O-N 3.45Å; G273-Y276 PolarHBondContact O-N 3.27Å; G273-L277 WeakPolarHBondContact O-CG 3.42Å; G273-L277 PolarHBondContact O-N 3.01Å; G273-L277 VanDerWaalsContact O-N 3.13Å
274	L	97.2	Very high	94.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.5	-41.6	176.4	-70.7	177.2	0	0	0	111.8	V270 L271 Y276 L277 H278 H284 V287 I302 D349 F353 A422	V270-L274 HydrophobicContact CG1-CD1 4.09Å; V270-L274 HydrophobicContact CG1-CG 4.36Å; V270-L274 WeakPolarHBondContact O-CG 3.34Å; V270-L274 PolarHBondContact O-N 2.76Å; L271-L274 PolarHBondContact O-N 3.26Å; L274-Y276 VanDerWaalsContact C-N 3.32Å; L274-Y276 PolarHBondContact O-N 2.82Å; L274-L277 PolarHBondContact O-N 2.73Å; L274-L277 VanDerWaalsContact O-N 3.13Å; L274-H278 WeakPolarHBondContact O-CB 3.43Å; L274-H278 PolarHBondContact O-CD2 2.91Å; L274-H278 VanDerWaalsContact O-CD2 3.22Å; L274-H278 PolarHBondContact O-N 2.94Å; L274-H284 HydrophobicContact CD2-CB 4Å; L274-V287 HydrophobicContact CD2-CG2 3.95Å; L274-I302 HydrophobicContact CD2-CD1 4.02Å; L274-I302 HydrophobicContact CG-CD1 3.94Å; L274-D349 HydrophobicContact CD2-CB 4.16Å; L274-F353 HydrophobicContact CD1-CB 4.23Å; L274-F353 HydrophobicContact CD1-CD2 4.27Å; L274-A422 HydrophobicContact CB-CB 4.25Å
275	D	97.8	Very high	93.6	Very high	19 Å²	19	33.6 Å²	33.6	10%	0.102	17%	0.166	C	C	.	.	H	α-helix	trans	-60.9	-40.6	177	-174.3	66.5	0	0	0	112.2	L271 R279 A422 A423	L271-D275 WeakPolarHBondContact O-CB 3.35Å; L271-D275 PolarHBondContact O-N 3.09Å; D275-R279 WeakPolarHBondContact O-CB 3.29Å; D275-R279 WeakPolarHBondContact O-CG 3.46Å; D275-R279 PolarHBondContact O-N 3.44Å; D275-R279 PolarHBondContact O-NE 3.39Å; D275-R279 IonicContact OD1-NE 3.85Å; D275-R279 IonicContact OD2-CZ 3.14Å; D275-R279 IonicContact OD2-NE 2.73Å; D275-R279 PolarHBondContact OD2-NE 2.86Å; D275-R279 IonicContact OD2-NH2 2.71Å; D275-R279 PolarHBondContact OD2-NH2 3Å; D275-A422 HydrophobicContact CB-CB 3.7Å; D275-A423 WeakPolarHBondContact OD1-CB 3.37Å; D275-A423 PolarHBondContact OD1-N 3.28Å
276	Y	96.3	Very high	92.9	Very high	36 Å²	36	34.1 Å²	34.1	14%	0.141	17%	0.169	C	C	.	.	H	α-helix	trans	-59.3	-48.2	170.8	171.8	-92.2	0	0	0	112.1	C210 S211 H212 I215 E272 G273 L274 N280	C210-Y276 HydrophobicContact CB-CE1 4.21Å; S211-Y276 PolarHBondContact N-OH 3.49Å; S211-Y276 PolarHBondContact O-OH 2.92Å; H212-Y276 HydrophobicContact CB-CD1 3.64Å; H212-Y276 HydrophobicContact CB-CD2 4.01Å; H212-Y276 HydrophobicContact CB-CE1 3.87Å; H212-Y276 HydrophobicContact CB-CE2 4.21Å; H212-Y276 HydrophobicContact CB-CG 3.72Å; H212-Y276 AromaticContact CD2-CD2 3.49Å; H212-Y276 VanDerWaalsContact CD2-CD2 3.49Å; H212-Y276 WeakPolarHBondContact CD2-CD2 3.19Å; H212-Y276 AromaticContact CD2-CG 3.55Å; H212-Y276 AromaticContact CG-CD1 3.98Å; H212-Y276 AromaticContact CG-CD2 3.91Å; H212-Y276 AromaticContact CG-CG 3.59Å; I215-Y276 HydrophobicContact CG1-CD1 4.41Å; E272-Y276 PolarHBondContact O-N 3.34Å; E272-Y276 VanDerWaalsContact O-N 3.08Å; G273-Y276 PolarHBondContact O-N 3.27Å; L274-Y276 VanDerWaalsContact C-N 3.32Å; L274-Y276 PolarHBondContact O-N 2.82Å; Y276-N280 PolarHBondContact O-N 3.09Å; Y276-N280 PolarHBondContact O-ND2 2.94Å
277	L	91.9	Very high	92.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.1	-46.9	178.9	-70	178.9	0	0	0	111.6	I215 G273 L274 R279 N280 G281 Q282 H284 F305	I215-L277 HydrophobicContact CD1-CD1 3.8Å; I215-L277 HydrophobicContact CD1-CD2 4.42Å; I215-L277 HydrophobicContact CD1-CG 3.99Å; I215-L277 HydrophobicContact CG1-CG 4.47Å; G273-L277 WeakPolarHBondContact O-CG 3.42Å; G273-L277 PolarHBondContact O-N 3.01Å; G273-L277 VanDerWaalsContact O-N 3.13Å; L274-L277 PolarHBondContact O-N 2.73Å; L274-L277 VanDerWaalsContact O-N 3.13Å; L277-R279 PolarHBondContact O-N 3.02Å; L277-N280 CarbonylContact O-C 3.47Å; L277-N280 WeakPolarHBondContact O-CA 3.07Å; L277-N280 PolarHBondContact O-N 2.99Å; L277-G281 PolarHBondContact O-N 2.68Å; L277-Q282 HydrophobicContact CB-CB 4.15Å; L277-Q282 HydrophobicContact CD2-CB 4.21Å; L277-Q282 WeakPolarHBondContact O-CB 3.21Å; L277-Q282 PolarHBondContact O-N 2.98Å; L277-H284 HydrophobicContact CD1-CB 4.15Å; L277-F305 HydrophobicContact CD1-CD2 3.75Å; L277-F305 HydrophobicContact CD1-CE2 4Å; L277-F305 HydrophobicContact CD1-CG 4.34Å; L277-F305 HydrophobicContact CD2-CD1 4.27Å; L277-F305 HydrophobicContact CD2-CD2 4.05Å; L277-F305 HydrophobicContact CD2-CE1 3.98Å; L277-F305 HydrophobicContact CD2-CE2 3.75Å; L277-F305 HydrophobicContact CD2-CG 4.31Å; L277-F305 HydrophobicContact CD2-CZ 3.72Å; L277-F305 HydrophobicContact CG-CE2 4.46Å
278	H	92.8	Very high	92.4	Very high	21 Å²	21	36 Å²	36	10%	0.097	18%	0.177	C	C	.	.	H	α-helix	trans	-65.6	-40.1	-175.7	-62.7	-179.6	0	0	0	111.6	L274 N280 G281 Q282 F346 D349	L274-H278 WeakPolarHBondContact O-CB 3.43Å; L274-H278 PolarHBondContact O-CD2 2.91Å; L274-H278 VanDerWaalsContact O-CD2 3.22Å; L274-H278 PolarHBondContact O-N 2.94Å; H278-N280 PolarHBondContact O-N 3.44Å; H278-G281 PolarHBondContact O-N 3.49Å; H278-G281 VanDerWaalsContact O-N 3.09Å; H278-Q282 PolarHBondContact CD2-O 2.85Å; H278-F346 HydrophobicContact CB-CB 4.25Å; H278-F346 HydrophobicContact CB-CD2 4.05Å; H278-F346 HydrophobicContact CB-CG 4.19Å; H278-F346 PolarHBondContact CE1-O 3.34Å; H278-F346 AromaticContact CG-CD2 3.8Å; H278-F346 AromaticContact ND1-CD2 3.48Å; H278-F346 WeakPolarHBondContact ND1-CD2 3.28Å; H278-D349 IonicContact CD2-OD2 2.76Å; H278-D349 IonicContact CE1-OD2 2.68Å; H278-D349 IonicContact NE2-OD2 2.73Å; H278-D349 PolarHBondContact NE2-OD2 3.1Å
279	R	92.2	Very high	92.1	Very high	164 Å²	164	33.1 Å²	33.1	62%	0.619	16%	0.164	S	C	*	.	H	α-helix	trans	-64.9	-25.1	172.6	-77.9	-171.5	-78.5	117.4	-3.8	113.9	D275 L277 G281	D275-R279 WeakPolarHBondContact O-CB 3.29Å; D275-R279 WeakPolarHBondContact O-CG 3.46Å; D275-R279 PolarHBondContact O-N 3.44Å; D275-R279 PolarHBondContact O-NE 3.39Å; D275-R279 IonicContact OD1-NE 3.85Å; D275-R279 IonicContact OD2-CZ 3.14Å; D275-R279 IonicContact OD2-NE 2.73Å; D275-R279 PolarHBondContact OD2-NE 2.86Å; D275-R279 IonicContact OD2-NH2 2.71Å; D275-R279 PolarHBondContact OD2-NH2 3Å; L277-R279 PolarHBondContact O-N 3.02Å; R279-G281 VanDerWaalsContact C-N 3.33Å
280	N	86.7	Confident	91.6	Very high	84 Å²	84	32.6 Å²	32.6	45%	0.449	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	14.9	174.1	-70.8	-72.4	0	0	0	113	Y276 L277 H278 Q282	Y276-N280 PolarHBondContact O-N 3.09Å; Y276-N280 PolarHBondContact O-ND2 2.94Å; L277-N280 CarbonylContact O-C 3.47Å; L277-N280 WeakPolarHBondContact O-CA 3.07Å; L277-N280 PolarHBondContact O-N 2.99Å; H278-N280 PolarHBondContact O-N 3.44Å; N280-Q282 VanDerWaalsContact C-N 3.25Å; N280-Q282 HydrophobicContact CB-CG 4.39Å; N280-Q282 PolarHBondContact O-N 3.38Å; N280-Q282 PolarHBondContact O-NE2 3.35Å
281	G	83.6	Confident	91.4	Very high	64 Å²	64	33.3 Å²	33.3	66%	0.66	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	71	15.2	178.1	0	0	0	0	0	114.8	L277 H278 R279	L277-G281 PolarHBondContact O-N 2.68Å; H278-G281 PolarHBondContact O-N 3.49Å; H278-G281 VanDerWaalsContact O-N 3.09Å; R279-G281 VanDerWaalsContact C-N 3.33Å
282	Q	84.9	Confident	91.3	Very high	56 Å²	56	33.3 Å²	33.3	26%	0.262	17%	0.17	S	C	.	.			trans	-98.5	155.3	-177.6	-52.6	-49.7	-44.3	0	0	112	V206 L277 H278 N280 F305	V206-Q282 HydrophobicContact CG1-CG 4.16Å; V206-Q282 VanDerWaalsContact CG1-OE1 3.31Å; L277-Q282 HydrophobicContact CB-CB 4.15Å; L277-Q282 HydrophobicContact CD2-CB 4.21Å; L277-Q282 WeakPolarHBondContact O-CB 3.21Å; L277-Q282 PolarHBondContact O-N 2.98Å; H278-Q282 PolarHBondContact CD2-O 2.85Å; N280-Q282 VanDerWaalsContact C-N 3.25Å; N280-Q282 HydrophobicContact CB-CG 4.39Å; N280-Q282 PolarHBondContact O-N 3.38Å; N280-Q282 PolarHBondContact O-NE2 3.35Å; Q282-F305 HydrophobicContact CB-CE2 3.99Å; Q282-F305 HydrophobicContact CB-CZ 3.84Å; Q282-F305 HydrophobicContact CG-CZ 4.04Å
283	I	86.1	Confident	91.1	Very high	30 Å²	30	32.4 Å²	32.4	15%	0.154	17%	0.167	C	C	.	.			trans	-129.8	132.3	178.3	-49.1	172.1	0	0	0	107.6	R285 Y344 F346 D349	I283-R285 HydrophobicContact CB-CG 4.22Å; I283-R285 HydrophobicContact CG2-CG 3.78Å; I283-Y344 HydrophobicContact CD1-CD2 4.45Å; I283-Y344 HydrophobicContact CD1-CE2 4.42Å; I283-Y344 HydrophobicContact CG2-CE2 4.26Å; I283-F346 HydrophobicContact CG1-CB 4.24Å; I283-D349 WeakPolarHBondContact CG2-OD2 3.27Å
284	H	87.9	Confident	90.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.			trans	-79.1	-35.4	-176.4	-168.4	-85.4	0	0	0	113.4	L274 L277 D286 V287 I302 A303 F305 D349	L274-H284 HydrophobicContact CD2-CB 4Å; L277-H284 HydrophobicContact CD1-CB 4.15Å; H284-D286 PolarHBondContact CE1-O 3.32Å; H284-D286 PolarHBondContact ND1-O 3.39Å; H284-D286 PolarHBondContact O-N 3.07Å; H284-V287 HydrophobicContact CB-CG2 3.82Å; H284-I302 VanDerWaalsContact NE2-CG2 3.28Å; H284-I302 WeakPolarHBondContact NE2-CG2 3.23Å; H284-A303 PolarHBondContact CE1-O 2.75Å; H284-A303 VanDerWaalsContact CE1-O 3.3Å; H284-A303 PolarHBondContact NE2-O 3.45Å; H284-A303 VanDerWaalsContact NE2-O 3.08Å; H284-F305 AromaticContact CD2-CD2 3.82Å; H284-F305 PolarHBondContact NE2-N 3.07Å; H284-D349 PolarHBondContact N-OD1 2.87Å; H284-D349 PolarHBondContact N-OD2 3.3Å
285	R	84.3	Confident	90.7	Very high	81 Å²	81	32.6 Å²	32.6	31%	0.306	17%	0.168	S	C	.	.			trans	66.4	-28.3	175.4	-54.2	175.7	-178.9	167.7	8.5	116.6	E203 I283 A309 Y344 D349	E203-R285 IonicContact OE1-NH1 2.7Å; I283-R285 HydrophobicContact CB-CG 4.22Å; I283-R285 HydrophobicContact CG2-CG 3.78Å; R285-A309 HydrophobicContact CG-CB 4.48Å; R285-A309 PolarHBondContact NH1-O 2.96Å; R285-Y344 WeakPolarHBondContact CD-OH 3.4Å; R285-Y344 HydrophobicContact CG-CE2 4.1Å; R285-Y344 WeakPolarHBondContact CG-OH 3.31Å; R285-Y344 PolarHBondContact NE-OH 3.29Å; R285-D349 PolarHBondContact N-OD1 3.06Å
286	D	85	Confident	90.3	Very high	17 Å²	17	38.4 Å²	38.4	9%	0.091	20%	0.195	C	C	.	.			trans	-125.8	55.2	-178.1	-166.3	39.9	0	0	0	111.9	H284 K288 N291 T329	H284-D286 PolarHBondContact CE1-O 3.32Å; H284-D286 PolarHBondContact ND1-O 3.39Å; H284-D286 PolarHBondContact O-N 3.07Å; D286-K288 IonicContact OD1-NZ 2.67Å; D286-K288 PolarHBondContact OD1-NZ 3.46Å; D286-K288 WeakPolarHBondContact OD2-CE 3.46Å; D286-K288 IonicContact OD2-NZ 2.73Å; D286-K288 PolarHBondContact OD2-NZ 2.95Å; D286-N291 PolarHBondContact O-ND2 3.49Å; D286-N291 PolarHBondContact OD2-ND2 3.41Å; D286-T329 PolarHBondContact OD1-OG1 3.48Å
287	V	92.7	Very high	90	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	21%	0.209	C	C	.	.			trans	-80.9	115.7	176.1	-173.6	0	0	0	0	109.9	L274 H284 D349 T356	L274-V287 HydrophobicContact CD2-CG2 3.95Å; H284-V287 HydrophobicContact CB-CG2 3.82Å; V287-D349 HydrophobicContact CG2-CB 4.2Å; V287-T356 PolarHBondContact O-OG1 2.87Å
288	K	92.2	Very high	90	Very high	38 Å²	38	40.6 Å²	40.6	17%	0.165	21%	0.209	C	C	.	.	S	Bend	trans	-160.5	161.7	-179.7	64.7	-161.2	-176.2	-153.1	0	111	D286 G290 N291 I292 T329 W332 T356	D286-K288 IonicContact OD1-NZ 2.67Å; D286-K288 PolarHBondContact OD1-NZ 3.46Å; D286-K288 WeakPolarHBondContact OD2-CE 3.46Å; D286-K288 IonicContact OD2-NZ 2.73Å; D286-K288 PolarHBondContact OD2-NZ 2.95Å; K288-G290 PolarHBondContact O-N 3.44Å; K288-G290 VanDerWaalsContact O-N 3.12Å; K288-N291 VanDerWaalsContact CE-OD1 3.28Å; K288-N291 WeakPolarHBondContact CE-OD1 3.5Å; K288-N291 HydrophobicContact CG-CB 4.25Å; K288-N291 PolarHBondContact O-N 3.16Å; K288-I292 PolarHBondContact O-N 3.3Å; K288-T329 HydrophobicContact CD-CG2 4.18Å; K288-T329 PolarHBondContact NZ-OG1 3.09Å; K288-W332 HydrophobicContact CB-CD2 4.22Å; K288-W332 HydrophobicContact CB-CG 4.09Å; K288-T356 WeakPolarHBondContact CA-OG1 3.25Å
289	A	91.8	Very high	90.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.6	-179.5	0	0	0	0	0	113.7	M240 L241 I244 N291 E359 L360	M240-A289 HydrophobicContact CB-CB 3.9Å; M240-A289 WeakPolarHBondContact CB-O 3.42Å; M240-A289 PolarHBondContact N-O 3.38Å; L241-A289 PolarHBondContact N-O 2.88Å; L241-A289 VanDerWaalsContact N-O 3.09Å; I244-A289 HydrophobicContact CD1-CB 4.24Å; A289-N291 VanDerWaalsContact C-N 3.28Å; A289-N291 PolarHBondContact O-N 3.2Å; A289-E359 HydrophobicContact CB-CG 3.96Å; A289-E359 WeakPolarHBondContact CB-OE1 3.34Å; A289-E359 WeakPolarHBondContact CB-OE2 3.32Å; A289-E359 PolarHBondContact N-OE2 3.07Å; A289-L360 HydrophobicContact CB-CD2 3.88Å
290	G	89.1	Confident	90.4	Very high	16 Å²	16	32 Å²	32	17%	0.165	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-26.7	170.1	0	0	0	0	0	114.3	S239 K288	S239-G290 VanDerWaalsContact CB-O 3.31Å; S239-G290 WeakPolarHBondContact CB-O 3.33Å; K288-G290 PolarHBondContact O-N 3.44Å; K288-G290 VanDerWaalsContact O-N 3.12Å
291	N	92.9	Very high	90.9	Very high	15 Å²	15	28.3 Å²	28.3	8%	0.08	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	0.8	-178.1	-64.3	2.7	0	0	0	112.4	D286 K288 A289 A303	D286-N291 PolarHBondContact O-ND2 3.49Å; D286-N291 PolarHBondContact OD2-ND2 3.41Å; K288-N291 VanDerWaalsContact CE-OD1 3.28Å; K288-N291 WeakPolarHBondContact CE-OD1 3.5Å; K288-N291 HydrophobicContact CG-CB 4.25Å; K288-N291 PolarHBondContact O-N 3.16Å; A289-N291 VanDerWaalsContact C-N 3.28Å; A289-N291 PolarHBondContact O-N 3.2Å; N291-A303 PolarHBondContact O-N 2.67Å
292	I	95.8	Very high	91.4	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	111	168.9	-60.9	168.8	0	0	0	107.4	S239 M240 I266 V270 K288 V300 T356	S239-I292 CarbonylContact C-O 3.57Å; S239-I292 VanDerWaalsContact CA-O 3.3Å; S239-I292 WeakPolarHBondContact CA-O 3.3Å; M240-I292 HydrophobicContact CB-CB 4.43Å; M240-I292 HydrophobicContact CG-CB 4.02Å; M240-I292 HydrophobicContact CG-CG2 3.71Å; M240-I292 PolarHBondContact N-O 3.48Å; I266-I292 HydrophobicContact CG2-CD1 4.42Å; I266-I292 HydrophobicContact CG2-CG2 3.85Å; V270-I292 HydrophobicContact CG2-CD1 3.74Å; V270-I292 HydrophobicContact CG2-CG1 3.87Å; V270-I292 HydrophobicContact CG2-CG2 4.14Å; K288-I292 PolarHBondContact O-N 3.3Å; I292-V300 HydrophobicContact CG2-CG1 3.7Å; I292-T356 HydrophobicContact CD1-CG2 3.6Å
293	L	94.5	Very high	91.7	Very high	38 Å²	38	23 Å²	23	20%	0.199	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	148.8	-177.4	-60.9	-170.1	0	0	0	112	V216 L235 G238 Q301 A303	V216-L293 HydrophobicContact CG2-CD1 4.29Å; L235-L293 HydrophobicContact CB-CB 4.03Å; L235-L293 HydrophobicContact CB-CD1 4.34Å; L235-L293 HydrophobicContact CD1-CB 3.52Å; L235-L293 HydrophobicContact CD1-CD1 4.4Å; L235-L293 HydrophobicContact CG-CB 4.43Å; G238-L293 WeakPolarHBondContact O-CA 3.29Å; L293-Q301 PolarHBondContact N-O 2.73Å; L293-Q301 PolarHBondContact O-N 2.9Å; L293-A303 HydrophobicContact CD1-CB 3.61Å; L293-A303 HydrophobicContact CG-CB 3.78Å
294	L	93.8	Very high	91.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136.6	177.9	-58.7	-173.2	0	0	0	113.3	L235 G237 G238 M240 I243 S299 V300 L444 L445	L235-L294 CarbonylContact C-O 3.57Å; L235-L294 WeakPolarHBondContact CB-O 3.38Å; G237-L294 WeakPolarHBondContact CA-O 3.27Å; G237-L294 PolarHBondContact N-O 3.35Å; G238-L294 PolarHBondContact O-N 3.13Å; M240-L294 HydrophobicContact SD-CD1 3.82Å; M240-L294 HydrophobicContact SD-CD2 4.26Å; M240-L294 HydrophobicContact SD-CG 4.11Å; I243-L294 HydrophobicContact CD1-CD1 3.58Å; I243-L294 HydrophobicContact CD1-CG 4.5Å; L294-S299 CarbonylContact C-O 3.56Å; L294-S299 WeakPolarHBondContact CA-O 3.49Å; L294-V300 HydrophobicContact CD2-CB 4.24Å; L294-V300 HydrophobicContact CD2-CG1 4.26Å; L294-V300 HydrophobicContact CD2-CG2 3.72Å; L294-L444 HydrophobicContact CD1-CD2 3.75Å; L294-L445 HydrophobicContact CB-CD2 4.04Å; L294-L445 HydrophobicContact CD1-CD2 3.66Å; L294-L445 HydrophobicContact CD1-CG 4.3Å
295	G	91.8	Very high	90.9	Very high	3 Å²	3	24.2 Å²	24.2	3%	0.031	12%	0.122	C	C	.	.			trans	-78.4	162.5	164	0	0	0	0	0	112.5	D297 G298 S299 L445	G295-D297 PolarHBondContact O-N 2.92Å; G295-G298 PolarHBondContact O-N 2.89Å; G295-S299 PolarHBondContact N-O 2.91Å; G295-L445 WeakPolarHBondContact O-CD1 3.45Å
296	E	89.3	Confident	90	Very high	142 Å²	142	20.5 Å²	20.5	66%	0.664	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-22.1	171.8	-76.2	166.1	-163	0	0	112.2	S236 G298	S236-E296 WeakPolarHBondContact CB-OE1 3.25Å; S236-E296 PolarHBondContact OG-OE1 3.31Å; E296-G298 VanDerWaalsContact C-N 3.26Å; E296-G298 PolarHBondContact O-N 3.45Å
297	D	91.1	Very high	88.9	Confident	80 Å²	80	20 Å²	20	43%	0.428	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	3.5	174.2	73.1	-43.1	0	0	0	113.9	G295 S299 R437	G295-D297 PolarHBondContact O-N 2.92Å; D297-S299 VanDerWaalsContact C-N 3.26Å; D297-S299 PolarHBondContact O-N 3.23Å; D297-S299 VanDerWaalsContact OD1-CB 3.25Å; D297-S299 WeakPolarHBondContact OD1-CB 3.4Å; D297-S299 PolarHBondContact OD1-N 3.02Å; D297-S299 VanDerWaalsContact OD1-N 3.07Å; D297-S299 PolarHBondContact OD1-OG 2.99Å; D297-S299 VanDerWaalsContact OD2-CB 3.28Å; D297-S299 WeakPolarHBondContact OD2-CB 3.28Å; D297-S299 PolarHBondContact OD2-OG 3.21Å; D297-R437 WeakPolarHBondContact O-CB 3.31Å; D297-R437 IonicContact OD2-NH1 3.37Å; D297-R437 PolarHBondContact OD2-NH1 3.46Å
298	G	92.6	Very high	87	Confident	1 Å²	1	20.6 Å²	20.6	1%	0.01	11%	0.111	C	C	.	.	S	Bend	trans	72.7	12.6	-172.4	0	0	0	0	0	114.4	G295 E296	G295-G298 PolarHBondContact O-N 2.89Å; E296-G298 VanDerWaalsContact C-N 3.26Å; E296-G298 PolarHBondContact O-N 3.45Å
299	S	95.2	Very high	84.9	Confident	3 Å²	3	19 Å²	19	2%	0.021	11%	0.105	C	C	.	.			trans	-66.1	144.4	168.3	58.8	0	0	0	0	111.2	L294 G295 D297	L294-S299 CarbonylContact C-O 3.56Å; L294-S299 WeakPolarHBondContact CA-O 3.49Å; G295-S299 PolarHBondContact N-O 2.91Å; D297-S299 VanDerWaalsContact C-N 3.26Å; D297-S299 PolarHBondContact O-N 3.23Å; D297-S299 VanDerWaalsContact OD1-CB 3.25Å; D297-S299 WeakPolarHBondContact OD1-CB 3.4Å; D297-S299 PolarHBondContact OD1-N 3.02Å; D297-S299 VanDerWaalsContact OD1-N 3.07Å; D297-S299 PolarHBondContact OD1-OG 2.99Å; D297-S299 VanDerWaalsContact OD2-CB 3.28Å; D297-S299 WeakPolarHBondContact OD2-CB 3.28Å; D297-S299 PolarHBondContact OD2-OG 3.21Å
300	V	97.4	Very high	83	Confident	2 Å²	2	19.4 Å²	19.4	1%	0.012	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.5	178.9	-176	0	0	0	0	107.8	N214 I266 E269 V270 I292 L294 L440	N214-V300 PolarHBondContact ND2-O 3.07Å; I266-V300 HydrophobicContact CG2-CG1 4.16Å; E269-V300 HydrophobicContact CB-CB 3.68Å; E269-V300 HydrophobicContact CB-CG1 4.08Å; E269-V300 HydrophobicContact CB-CG2 4.18Å; E269-V300 HydrophobicContact CG-CB 4.15Å; E269-V300 HydrophobicContact CG-CG2 4.18Å; V270-V300 HydrophobicContact CG2-CG1 4.33Å; I292-V300 HydrophobicContact CG2-CG1 3.7Å; L294-V300 HydrophobicContact CD2-CB 4.24Å; L294-V300 HydrophobicContact CD2-CG1 4.26Å; L294-V300 HydrophobicContact CD2-CG2 3.72Å; V300-L440 HydrophobicContact CG2-CD1 3.76Å
301	Q	96.6	Very high	81	Confident	7 Å²	7	19.9 Å²	19.9	3%	0.033	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	143.1	178.7	-48.1	-165.7	-50.1	0	0	112	P213 N214 V216 L235 L293	P213-Q301 WeakPolarHBondContact O-CG 3.39Å; P213-Q301 PolarHBondContact O-NE2 2.67Å; N214-Q301 CarbonylContact O-C 3.58Å; N214-Q301 WeakPolarHBondContact O-CA 3.48Å; V216-Q301 HydrophobicContact CG2-CB 3.72Å; L235-Q301 HydrophobicContact CD1-CB 3.74Å; L235-Q301 HydrophobicContact CD1-CG 3.86Å; L293-Q301 PolarHBondContact N-O 2.73Å; L293-Q301 PolarHBondContact O-N 2.9Å
302	I	94.9	Very high	78.6	Confident	2 Å²	2	20.8 Å²	20.8	1%	0.01	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	125.6	172.2	-41.8	174.9	0	0	0	109.1	N214 I215 V216 V270 L274 H284	N214-I302 PolarHBondContact O-N 3.3Å; I215-I302 HydrophobicContact CD1-CB 4.03Å; I215-I302 HydrophobicContact CD1-CD1 4Å; I215-I302 HydrophobicContact CD1-CG1 4.23Å; V216-I302 PolarHBondContact N-O 2.9Å; V270-I302 HydrophobicContact CG1-CD1 4Å; V270-I302 HydrophobicContact CG1-CG1 4.39Å; V270-I302 HydrophobicContact CG2-CG1 4.44Å; L274-I302 HydrophobicContact CD2-CD1 4.02Å; L274-I302 HydrophobicContact CG-CD1 3.94Å; H284-I302 VanDerWaalsContact NE2-CG2 3.28Å; H284-I302 WeakPolarHBondContact NE2-CG2 3.23Å
303	A	90.1	Very high	76	Confident	6 Å²	6	22.9 Å²	22.9	5%	0.05	13%	0.132	C	C	.	.			trans	-101.5	171.4	177.4	0	0	0	0	0	111.9	V216 H284 N291 L293 F305	V216-A303 HydrophobicContact CB-CB 4.4Å; V216-A303 HydrophobicContact CG2-CB 3.76Å; H284-A303 PolarHBondContact CE1-O 2.75Å; H284-A303 VanDerWaalsContact CE1-O 3.3Å; H284-A303 PolarHBondContact NE2-O 3.45Å; H284-A303 VanDerWaalsContact NE2-O 3.08Å; N291-A303 PolarHBondContact O-N 2.67Å; L293-A303 HydrophobicContact CD1-CB 3.61Å; L293-A303 HydrophobicContact CG-CB 3.78Å; A303-F305 PolarHBondContact O-N 3.22Å
304	D	80.1	Confident	73.5	Confident	42 Å²	42	22 Å²	22	23%	0.225	13%	0.132	C	C	.	.			trans	66.9	9.8	173.2	-89.9	21.5	0	0	0	116.8	K186 S308	K186-D304 IonicContact NZ-OD1 3.79Å; K186-D304 PolarHBondContact NZ-OD1 3.36Å; K186-D304 IonicContact NZ-OD2 2.69Å; K186-D304 PolarHBondContact NZ-OD2 3.44Å; D304-S308 WeakPolarHBondContact O-CB 3.39Å; D304-S308 PolarHBondContact O-N 3.3Å; D304-S308 PolarHBondContact O-OG 2.86Å; D304-S308 PolarHBondContact OD2-OG 3.48Å
305	F	76.9	Confident	70.9	Confident	13 Å²	13	23 Å²	23	6%	0.057	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	154.3	162.1	-177.9	-108.6	0	0	0	112.4	V206 C210 L277 Q282 H284 A303 V307	V206-F305 HydrophobicContact CG1-CE1 4.07Å; V206-F305 HydrophobicContact CG1-CZ 3.9Å; C210-F305 HydrophobicContact CB-CE1 4.23Å; C210-F305 VanDerWaalsContact SG-CE1 3.53Å; L277-F305 HydrophobicContact CD1-CD2 3.75Å; L277-F305 HydrophobicContact CD1-CE2 4Å; L277-F305 HydrophobicContact CD1-CG 4.34Å; L277-F305 HydrophobicContact CD2-CD1 4.27Å; L277-F305 HydrophobicContact CD2-CD2 4.05Å; L277-F305 HydrophobicContact CD2-CE1 3.98Å; L277-F305 HydrophobicContact CD2-CE2 3.75Å; L277-F305 HydrophobicContact CD2-CG 4.31Å; L277-F305 HydrophobicContact CD2-CZ 3.72Å; L277-F305 HydrophobicContact CG-CE2 4.46Å; Q282-F305 HydrophobicContact CB-CE2 3.99Å; Q282-F305 HydrophobicContact CB-CZ 3.84Å; Q282-F305 HydrophobicContact CG-CZ 4.04Å; H284-F305 AromaticContact CD2-CD2 3.82Å; H284-F305 PolarHBondContact NE2-N 3.07Å; A303-F305 PolarHBondContact O-N 3.22Å; F305-V307 PolarHBondContact O-N 3.47Å
306	G	67.1	Low	68.2	Low	4 Å²	4	26.3 Å²	26.3	4%	0.041	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	-128	-160.9	0	0	0	0	0	108.4	S308 A309	G306-S308 VanDerWaalsContact C-N 3.3Å; G306-S308 PolarHBondContact O-N 2.87Å; G306-A309 WeakPolarHBondContact O-CB 3.28Å; G306-A309 PolarHBondContact O-N 3.41Å
307	V	60.9	Low	65.9	Low	5 Å²	5	26.6 Å²	26.6	3%	0.03	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	8.5	-63	173.7	-161	0	0	0	0	118.8	I188 E203 M207 L230 F305 A309 F310 L311	I188-V307 HydrophobicContact CD1-CG1 3.59Å; I188-V307 HydrophobicContact CD1-CG2 4.43Å; E203-V307 PolarHBondContact OE2-N 3.49Å; M207-V307 HydrophobicContact CE-CG2 4.48Å; L230-V307 HydrophobicContact CD1-CG2 3.28Å; F305-V307 PolarHBondContact O-N 3.47Å; V307-A309 PolarHBondContact O-N 2.96Å; V307-F310 PolarHBondContact O-N 3.05Å; V307-L311 HydrophobicContact CG1-CD1 3.98Å; V307-L311 HydrophobicContact CG1-CG 4.48Å; V307-L311 WeakPolarHBondContact O-CG 3.49Å; V307-L311 PolarHBondContact O-N 3.32Å
308	S	52.2	Low	63	Low	14 Å²	14	28.2 Å²	28.2	10%	0.098	18%	0.176	C	C	.	.	H	α-helix	trans	-67.1	-25	-178.4	-66.1	0	0	0	0	112.3	D304 G306 A312	D304-S308 WeakPolarHBondContact O-CB 3.39Å; D304-S308 PolarHBondContact O-N 3.3Å; D304-S308 PolarHBondContact O-OG 2.86Å; D304-S308 PolarHBondContact OD2-OG 3.48Å; G306-S308 VanDerWaalsContact C-N 3.3Å; G306-S308 PolarHBondContact O-N 2.87Å; S308-A312 WeakPolarHBondContact O-CB 3.45Å; S308-A312 PolarHBondContact O-N 3.12Å
309	A	48	Very low	60.1	Low	5 Å²	5	37.7 Å²	37.7	4%	0.041	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-48.1	169.6	0	0	0	0	0	112.5	E203 R285 G306 V307 A313	E203-A309 WeakPolarHBondContact OE1-CB 3.44Å; R285-A309 HydrophobicContact CG-CB 4.48Å; R285-A309 PolarHBondContact NH1-O 2.96Å; G306-A309 WeakPolarHBondContact O-CB 3.28Å; G306-A309 PolarHBondContact O-N 3.41Å; V307-A309 PolarHBondContact O-N 2.96Å; A309-A313 WeakPolarHBondContact O-CB 3.35Å; A309-A313 PolarHBondContact O-N 2.86Å
310	F	52	Low	57	Low	8 Å²	8	46.8 Å²	46.8	4%	0.035	25%	0.253	C	S	.	.	H	α-helix	trans	-66.4	-45.7	174.5	166.3	-91.7	0	0	0	112.8	T195 S196 E199 L200 E203 V307 A313 G314	T195-F310 HydrophobicContact CG2-CD2 3.69Å; T195-F310 HydrophobicContact CG2-CE1 4.21Å; T195-F310 HydrophobicContact CG2-CE2 3.23Å; T195-F310 HydrophobicContact CG2-CG 4.36Å; T195-F310 HydrophobicContact CG2-CZ 3.55Å; S196-F310 WeakPolarHBondContact O-CE2 3.36Å; E199-F310 HydrophobicContact CB-CD2 3.94Å; E199-F310 HydrophobicContact CB-CE2 3.78Å; L200-F310 HydrophobicContact CB-CD2 4.3Å; L200-F310 HydrophobicContact CB-CE1 4.41Å; L200-F310 HydrophobicContact CB-CE2 3.58Å; L200-F310 HydrophobicContact CB-CZ 3.63Å; L200-F310 HydrophobicContact CD1-CD1 4.14Å; L200-F310 HydrophobicContact CD1-CE1 3.96Å; L200-F310 HydrophobicContact CD1-CE2 4.34Å; L200-F310 HydrophobicContact CD1-CG 4.42Å; L200-F310 HydrophobicContact CD1-CZ 4.05Å; L200-F310 HydrophobicContact CD2-CE1 4.4Å; L200-F310 HydrophobicContact CD2-CZ 4.14Å; L200-F310 HydrophobicContact CG-CE1 4.49Å; L200-F310 HydrophobicContact CG-CE2 4.45Å; L200-F310 HydrophobicContact CG-CZ 4.15Å; L200-F310 VanDerWaalsContact N-CE2 3.34Å; E203-F310 VanDerWaalsContact CD-CB 3.44Å; E203-F310 HydrophobicContact CG-CB 4.45Å; E203-F310 PolarHBondContact OE1-N 2.96Å; E203-F310 VanDerWaalsContact OE1-N 3.07Å; E203-F310 WeakPolarHBondContact OE2-CB 3.36Å; E203-F310 PolarHBondContact OE2-N 2.86Å; V307-F310 PolarHBondContact O-N 3.05Å; F310-A313 PolarHBondContact O-N 3.07Å; F310-G314 PolarHBondContact O-N 2.91Å
311	L	47.9	Very low	53.7	Low	26 Å²	26	55.9 Å²	55.9	14%	0.136	29%	0.293	C	S	.	.	H	α-helix	trans	-68.9	-37	-177.9	-67.5	176.5	0	0	0	112.7	T168 V307 V327	T168-L311 HydrophobicContact CG2-CD1 4.16Å; T168-L311 WeakPolarHBondContact OG1-CD1 3.3Å; V307-L311 HydrophobicContact CG1-CD1 3.98Å; V307-L311 HydrophobicContact CG1-CG 4.48Å; V307-L311 WeakPolarHBondContact O-CG 3.49Å; V307-L311 PolarHBondContact O-N 3.32Å; L311-V327 VanDerWaalsContact O-CG1 3.31Å; L311-V327 WeakPolarHBondContact O-CG1 3.21Å
312	A	42.3	Very low	50.5	Low	35 Å²	35	61.4 Å²	61.4	29%	0.289	33%	0.327	S	S	.	.	H	α-helix	trans	-76.4	-36.7	175	0	0	0	0	0	112.9	S308 G314	S308-A312 WeakPolarHBondContact O-CB 3.45Å; S308-A312 PolarHBondContact O-N 3.12Å; A312-G314 VanDerWaalsContact C-N 3.28Å; A312-G314 PolarHBondContact O-N 2.94Å
313	A	40.9	Very low	47.5	Very low	44 Å²	44	67.2 Å²	67.2	36%	0.364	35%	0.348	S	S	.	.	H	α-helix	trans	-72.9	-16.4	-179.5	0	0	0	0	0	114.1	A309 F310 G315	A309-A313 WeakPolarHBondContact O-CB 3.35Å; A309-A313 PolarHBondContact O-N 2.86Å; F310-A313 PolarHBondContact O-N 3.07Å; A313-G315 PolarHBondContact O-N 2.86Å; A313-G315 VanDerWaalsContact O-N 3.11Å
314	G	42.4	Very low	44.6	Very low	19 Å²	19	76.5 Å²	76.5	20%	0.196	39%	0.388	C	S	.	.			trans	70.4	8.5	166.2	0	0	0	0	0	116.7	F310 A312 R323	F310-G314 PolarHBondContact O-N 2.91Å; A312-G314 VanDerWaalsContact C-N 3.28Å; A312-G314 PolarHBondContact O-N 2.94Å; G314-R323 PolarHBondContact O-NH1 3.41Å
315	G	38.7	Very low	42.4	Very low	23 Å²	23	79.5 Å²	79.5	24%	0.237	41%	0.408	C	S	.	.	S	Bend	trans	81	131.2	178.6	0	0	0	0	0	114.6	E199 A313	E199-G315 WeakPolarHBondContact OE1-CA 3.26Å; A313-G315 PolarHBondContact O-N 2.86Å; A313-G315 VanDerWaalsContact O-N 3.11Å
316	D	35.3	Very low	40.2	Very low	72 Å²	72	82 Å²	82	39%	0.385	42%	0.419	S	S	.	.			trans	42.1	88.7	176.2	-170.5	10.3	0	0	0	116.9	E199 T318	E199-D316 PolarHBondContact OE1-N 3.15Å; D316-T318 PolarHBondContact O-N 2.91Å; D316-T318 WeakPolarHBondContact OD1-CA 3.46Å; D316-T318 WeakPolarHBondContact OD1-CB 3.5Å; D316-T318 PolarHBondContact OD1-N 3.34Å; D316-T318 PolarHBondContact OD1-OG1 3.08Å
317	M	40.1	Very low	38.8	Very low	148 Å²	148	85.1 Å²	85.1	73%	0.729	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-10.2	170.3	-78.6	-179.1	66.5	0	0	114.8
318	T	31.6	Very low	38.1	Very low	114 Å²	114	86.6 Å²	86.6	70%	0.699	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	3.6	-168.5	73.4	0	0	0	0	115.2	D316	D316-T318 PolarHBondContact O-N 2.91Å; D316-T318 WeakPolarHBondContact OD1-CA 3.46Å; D316-T318 WeakPolarHBondContact OD1-CB 3.5Å; D316-T318 PolarHBondContact OD1-N 3.34Å; D316-T318 PolarHBondContact OD1-OG1 3.08Å
319	R	30.6	Very low	38.4	Very low	199 Å²	199	87.6 Å²	87.6	75%	0.751	46%	0.458	S	S	*	.	S	Bend	trans	-130.4	133.4	-178.7	-81.1	-176.8	157.7	175	-4.1	115.7	K321	R319-K321 PolarHBondContact O-N 2.94Å
320	H	30.3	Very low	38.9	Very low	195 Å²	195	88.3 Å²	88.3	90%	0.903	46%	0.463	S	S	*	.			trans	-72.5	42.9	-175.5	-51.6	-36.3	0	0	0	115.5	V322	H320-V322 PolarHBondContact O-N 2.98Å
321	K	28.2	Very low	40	Very low	192 Å²	192	88.6 Å²	88.6	84%	0.835	47%	0.465	S	S	*	.			trans	-92.2	97.1	168.4	-81.9	-166	172.2	-173.5	0	110.1	R319 R323	R319-K321 PolarHBondContact O-N 2.94Å; K321-R323 PolarHBondContact O-N 3.46Å
322	V	30.5	Very low	41.6	Very low	123 Å²	123	89 Å²	89	75%	0.745	47%	0.465	S	S	*	.			trans	-57.7	101.5	-173.7	-176.3	0	0	0	0	112.5	H320 K324	H320-V322 PolarHBondContact O-N 2.98Å; V322-K324 HydrophobicContact CG1-CG 3.94Å
323	R	31.1	Very low	43.3	Very low	125 Å²	125	88.5 Å²	88.5	47%	0.472	46%	0.457	S	S	.	.			trans	-92.6	117.1	159.1	-75.2	179.6	159.7	147.8	1.7	108.1	Q194 G314 K321 T325	Q194-R323 PolarHBondContact O-NH1 2.9Å; Q194-R323 VanDerWaalsContact O-NH1 3.15Å; Q194-R323 PolarHBondContact O-NH2 2.99Å; G314-R323 PolarHBondContact O-NH1 3.41Å; K321-R323 PolarHBondContact O-N 3.46Å; R323-T325 VanDerWaalsContact C-N 3.34Å
324	K	29.1	Very low	44.6	Very low	201 Å²	201	86.5 Å²	86.5	87%	0.874	44%	0.44	S	S	*	.			trans	-83.8	-6.2	179.6	-68.9	-169.5	176.4	-176.4	0	114.2	V322	V322-K324 HydrophobicContact CG1-CG 3.94Å
325	T	34	Very low	46.2	Very low	105 Å²	105	85.8 Å²	85.8	64%	0.644	43%	0.432	S	S	*	.			trans	-86.3	109.5	-178.6	48.1	0	0	0	0	110.8	R323 V327	R323-T325 VanDerWaalsContact C-N 3.34Å; T325-V327 PolarHBondContact O-N 3.36Å
326	F	31.3	Very low	48	Very low	65 Å²	65	86 Å²	86	29%	0.285	43%	0.427	S	S	.	.			trans	-74.3	106.8	174.7	-164.2	-94.4	0	0	0	109.6	P330 M333 M338 L376	F326-P330 HydrophobicContact CE1-CB 4.35Å; F326-M333 HydrophobicContact CD1-SD 4.46Å; F326-M333 HydrophobicContact CE1-CE 3.53Å; F326-M333 HydrophobicContact CE1-SD 3.58Å; F326-M333 VanDerWaalsContact CE1-SD 3.58Å; F326-M333 HydrophobicContact CZ-CE 3.53Å; F326-M333 HydrophobicContact CZ-SD 4.18Å; F326-M338 HydrophobicContact CZ-CG 4.09Å; F326-L376 HydrophobicContact CE2-CD1 4.1Å; F326-L376 HydrophobicContact CZ-CD1 4Å
327	V	37.2	Very low	49.5	Very low	70 Å²	70	83.7 Å²	83.7	42%	0.424	42%	0.415	S	S	.	.			trans	-99.8	125.4	-176.2	-167.2	0	0	0	0	110.7	L311 T325	L311-V327 VanDerWaalsContact O-CG1 3.31Å; L311-V327 WeakPolarHBondContact O-CG1 3.21Å; T325-V327 PolarHBondContact O-N 3.36Å
328	G	46.3	Very low	50.6	Low	35 Å²	35	77.1 Å²	77.1	36%	0.361	38%	0.383	S	S	.	.	S	Bend	trans	152.3	-176	-177.8	0	0	0	0	0	111.1	P330	G328-P330 VanDerWaalsContact O-CD 3.3Å; G328-P330 WeakPolarHBondContact O-CD 3.17Å
329	T	58.6	Low	51.9	Low	35 Å²	35	77.3 Å²	77.3	22%	0.215	38%	0.376	C	S	.	.			trans	-103.7	89.5	174.5	-33.2	0	0	0	0	109.1	D286 K288 C331 W332	D286-T329 PolarHBondContact OD1-OG1 3.48Å; K288-T329 HydrophobicContact CD-CG2 4.18Å; K288-T329 PolarHBondContact NZ-OG1 3.09Å; T329-C331 VanDerWaalsContact C-N 3.32Å; T329-C331 PolarHBondContact O-N 2.97Å; T329-C331 VanDerWaalsContact O-N 3.1Å; T329-W332 HydrophobicContact CG2-CD2 4.28Å; T329-W332 HydrophobicContact CG2-CE3 3.36Å; T329-W332 HydrophobicContact CG2-CH2 4.25Å; T329-W332 HydrophobicContact CG2-CZ3 3.36Å; T329-W332 PolarHBondContact O-N 2.73Å; T329-W332 VanDerWaalsContact O-N 3.07Å
330	P	59.5	Low	53.3	Low	21 Å²	21	74.7 Å²	74.7	14%	0.136	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-63.2	-29.1	-156	22.9	-35.5	0	0	0	115.2	F326 G328 W332 M333 M338 P372 V375	F326-P330 HydrophobicContact CE1-CB 4.35Å; G328-P330 VanDerWaalsContact O-CD 3.3Å; G328-P330 WeakPolarHBondContact O-CD 3.17Å; P330-W332 PolarHBondContact O-N 3.05Å; P330-M333 PolarHBondContact O-N 2.73Å; P330-M338 VanDerWaalsContact O-CE 3.23Å; P330-M338 WeakPolarHBondContact O-CE 3.25Å; P330-P372 HydrophobicContact CG-CB 4Å; P330-P372 HydrophobicContact CG-CG 4.23Å; P330-V375 HydrophobicContact CB-CB 4.43Å; P330-V375 HydrophobicContact CB-CG1 4.15Å
331	C	74.2	Confident	54	Low	13 Å²	13	71.2 Å²	71.2	9%	0.088	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-69	-16.6	-180	-47.8	0	0	0	0	113.9	T329 I355 A365 V375	T329-C331 VanDerWaalsContact C-N 3.32Å; T329-C331 PolarHBondContact O-N 2.97Å; T329-C331 VanDerWaalsContact O-N 3.1Å; C331-I355 WeakPolarHBondContact O-CG2 3.38Å; C331-A365 HydrophobicContact CB-CB 3.65Å; C331-V375 HydrophobicContact CB-CG1 4.23Å
332	W	82.6	Confident	55	Low	35 Å²	35	72.4 Å²	72.4	13%	0.133	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-100.9	-14.5	178.8	-64.7	-108.8	0	0	0	112.3	K288 T329 P330 S352 I355 E359 A365	K288-W332 HydrophobicContact CB-CD2 4.22Å; K288-W332 HydrophobicContact CB-CG 4.09Å; T329-W332 HydrophobicContact CG2-CD2 4.28Å; T329-W332 HydrophobicContact CG2-CE3 3.36Å; T329-W332 HydrophobicContact CG2-CH2 4.25Å; T329-W332 HydrophobicContact CG2-CZ3 3.36Å; T329-W332 PolarHBondContact O-N 2.73Å; T329-W332 VanDerWaalsContact O-N 3.07Å; P330-W332 PolarHBondContact O-N 3.05Å; W332-S352 WeakPolarHBondContact O-CA 3.5Å; W332-S352 PolarHBondContact O-OG 2.86Å; W332-I355 HydrophobicContact CB-CG2 4.36Å; W332-I355 HydrophobicContact CD2-CG2 4.25Å; W332-I355 HydrophobicContact CG-CB 4.36Å; W332-I355 HydrophobicContact CG-CG2 3.81Å; W332-E359 HydrophobicContact CZ2-CG 4.36Å; W332-E359 WeakPolarHBondContact CZ2-OE1 3.29Å; W332-E359 PolarHBondContact NE1-OE2 2.68Å; W332-A365 HydrophobicContact CD2-CB 4.21Å; W332-A365 HydrophobicContact CE3-CB 4.33Å; W332-A365 HydrophobicContact CH2-CB 3.76Å; W332-A365 HydrophobicContact CZ2-CB 3.62Å; W332-A365 HydrophobicContact CZ3-CB 4.11Å
333	M	76.3	Confident	56.4	Low	25 Å²	25	69.4 Å²	69.4	12%	0.123	36%	0.357	C	S	.	.			trans	-73.6	147.3	-175.4	-68	171.6	68.9	0	0	111.9	F326 P330 V337 M338 W351	F326-M333 HydrophobicContact CD1-SD 4.46Å; F326-M333 HydrophobicContact CE1-CE 3.53Å; F326-M333 HydrophobicContact CE1-SD 3.58Å; F326-M333 VanDerWaalsContact CE1-SD 3.58Å; F326-M333 HydrophobicContact CZ-CE 3.53Å; F326-M333 HydrophobicContact CZ-SD 4.18Å; P330-M333 PolarHBondContact O-N 2.73Å; M333-V337 HydrophobicContact CE-CG1 3.68Å; M333-M338 HydrophobicContact CB-CE 3.95Å; M333-W351 PolarHBondContact O-NE1 2.92Å
334	A	69.9	Low	58.2	Low	1 Å²	1	66.3 Å²	66.3	1%	0.008	35%	0.346	C	S	.	.			trans	-86.8	152.7	-177.3	0	0	0	0	0	112.7	E336 V337 M338 A348 W351	A334-E336 VanDerWaalsContact C-N 3.33Å; A334-E336 VanDerWaalsContact CB-OE1 3.27Å; A334-E336 WeakPolarHBondContact CB-OE1 3.22Å; A334-E336 WeakPolarHBondContact CB-OE2 3.13Å; A334-E336 PolarHBondContact O-N 2.85Å; A334-V337 HydrophobicContact CB-CG2 4.03Å; A334-V337 WeakPolarHBondContact O-CB 3.39Å; A334-V337 PolarHBondContact O-N 2.87Å; A334-M338 PolarHBondContact O-N 3.33Å; A334-M338 VanDerWaalsContact O-N 3.15Å; A334-A348 HydrophobicContact CB-CB 4.35Å; A334-W351 VanDerWaalsContact CA-CD1 3.48Å; A334-W351 HydrophobicContact CB-CB 3.72Å; A334-W351 HydrophobicContact CB-CD2 4.28Å; A334-W351 HydrophobicContact CB-CG 3.64Å
335	P	75.1	Confident	60.8	Low	4 Å²	4	60 Å²	60	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-54.3	-41.8	-177	-26.7	34.3	0	0	0	114.5	V337 M338 E339 W351 T379 L380 K414	P335-V337 VanDerWaalsContact C-N 3.28Å; P335-V337 PolarHBondContact O-N 3.08Å; P335-M338 CarbonylContact O-C 3.57Å; P335-M338 WeakPolarHBondContact O-CA 3.49Å; P335-M338 VanDerWaalsContact O-CB 3.29Å; P335-M338 WeakPolarHBondContact O-CB 3.31Å; P335-M338 PolarHBondContact O-N 2.77Å; P335-E339 WeakPolarHBondContact O-CG 3.49Å; P335-E339 PolarHBondContact O-N 3.37Å; P335-W351 HydrophobicContact CG-CE3 4.46Å; P335-W351 HydrophobicContact CG-CH2 3.96Å; P335-W351 HydrophobicContact CG-CZ2 4.18Å; P335-W351 HydrophobicContact CG-CZ3 4.1Å; P335-T379 HydrophobicContact CG-CG2 4.33Å; P335-L380 HydrophobicContact CB-CD2 4.1Å; P335-K414 HydrophobicContact CB-CD 4.25Å; P335-K414 HydrophobicContact CG-CD 3.54Å
336	E	75.8	Confident	63.4	Low	28 Å²	28	58.2 Å²	58.2	13%	0.131	31%	0.306	C	S	.	.	H	α-helix	trans	-67.7	-28	179	71.9	-75	-176.1	0	0	113	A334 M338 P416 R419	A334-E336 VanDerWaalsContact C-N 3.33Å; A334-E336 VanDerWaalsContact CB-OE1 3.27Å; A334-E336 WeakPolarHBondContact CB-OE1 3.22Å; A334-E336 WeakPolarHBondContact CB-OE2 3.13Å; A334-E336 PolarHBondContact O-N 2.85Å; E336-M338 VanDerWaalsContact C-N 3.32Å; E336-P416 HydrophobicContact CB-CG 4.16Å; E336-P416 HydrophobicContact CG-CG 3.82Å; E336-R419 IonicContact OE1-CZ 3.3Å; E336-R419 IonicContact OE1-NH1 2.82Å; E336-R419 PolarHBondContact OE1-NH1 3.31Å; E336-R419 IonicContact OE1-NH2 3.16Å; E336-R419 IonicContact OE2-CZ 2.74Å; E336-R419 IonicContact OE2-NH1 3.82Å; E336-R419 PolarHBondContact OE2-NH1 3.14Å; E336-R419 IonicContact OE2-NH2 3.49Å; E336-R419 PolarHBondContact OE2-NH2 3.04Å
337	V	67.1	Low	66.3	Low	23 Å²	23	56.2 Å²	56.2	14%	0.139	30%	0.297	C	S	.	.	H	α-helix	trans	-72.4	-32.2	172.8	-172.1	0	0	0	0	110.3	M333 A334 P335 Y344 A348	M333-V337 HydrophobicContact CE-CG1 3.68Å; A334-V337 HydrophobicContact CB-CG2 4.03Å; A334-V337 WeakPolarHBondContact O-CB 3.39Å; A334-V337 PolarHBondContact O-N 2.87Å; P335-V337 VanDerWaalsContact C-N 3.28Å; P335-V337 PolarHBondContact O-N 3.08Å; V337-Y344 HydrophobicContact CB-CD1 4.24Å; V337-Y344 HydrophobicContact CB-CE1 4.5Å; V337-Y344 HydrophobicContact CG1-CD1 4.03Å; V337-Y344 HydrophobicContact CG1-CE1 3.8Å; V337-Y344 HydrophobicContact CG2-CD1 3.86Å; V337-Y344 HydrophobicContact CG2-CD2 3.95Å; V337-Y344 HydrophobicContact CG2-CE1 4.26Å; V337-Y344 HydrophobicContact CG2-CE2 4.34Å; V337-Y344 HydrophobicContact CG2-CG 3.69Å; V337-A348 HydrophobicContact CG2-CB 3.78Å
338	M	63.6	Low	68.8	Low	11 Å²	11	53.1 Å²	53.1	5%	0.054	28%	0.278	C	S	.	.	H	α-helix	trans	-76.4	-33	177.9	-70.7	177.7	174.7	0	0	113.1	F326 P330 M333 A334 P335 E336 L376 T379 L380	F326-M338 HydrophobicContact CZ-CG 4.09Å; P330-M338 VanDerWaalsContact O-CE 3.23Å; P330-M338 WeakPolarHBondContact O-CE 3.25Å; M333-M338 HydrophobicContact CB-CE 3.95Å; A334-M338 PolarHBondContact O-N 3.33Å; A334-M338 VanDerWaalsContact O-N 3.15Å; P335-M338 CarbonylContact O-C 3.57Å; P335-M338 WeakPolarHBondContact O-CA 3.49Å; P335-M338 VanDerWaalsContact O-CB 3.29Å; P335-M338 WeakPolarHBondContact O-CB 3.31Å; P335-M338 PolarHBondContact O-N 2.77Å; E336-M338 VanDerWaalsContact C-N 3.32Å; M338-L376 HydrophobicContact CB-CD1 3.49Å; M338-L376 VanDerWaalsContact CB-CD1 3.49Å; M338-L376 HydrophobicContact CG-CD1 3.52Å; M338-L376 HydrophobicContact SD-CD1 3.81Å; M338-T379 HydrophobicContact CE-CG2 3.78Å; M338-T379 HydrophobicContact SD-CG2 3.62Å; M338-L380 HydrophobicContact CB-CD1 4.38Å; M338-L380 HydrophobicContact CB-CD2 3.85Å; M338-L380 HydrophobicContact CB-CG 4.27Å; M338-L380 HydrophobicContact SD-CD2 4.44Å; M338-L380 HydrophobicContact SD-CG 4.39Å
339	E	59.2	Low	71.1	Confident	117 Å²	117	51.4 Å²	51.4	55%	0.547	26%	0.261	S	S	.	.	H	α-helix	trans	-77.2	-26.1	-176.8	-75.7	173.9	-172.5	0	0	114.4	P335 V341 L380	P335-E339 WeakPolarHBondContact O-CG 3.49Å; P335-E339 PolarHBondContact O-N 3.37Å; E339-V341 HydrophobicContact CB-CG2 4.45Å; E339-V341 WeakPolarHBondContact O-CG2 3.32Å; E339-V341 PolarHBondContact O-N 3.2Å; E339-L380 HydrophobicContact CG-CD2 3.7Å
340	Q	60.3	Low	73	Confident	145 Å²	145	49.8 Å²	49.8	68%	0.678	25%	0.251	S	S	*	.			trans	59.8	-2.9	177	-55.1	-174.9	-11.2	0	0	117.1	R342	Q340-R342 VanDerWaalsContact C-N 3.29Å; Q340-R342 PolarHBondContact O-N 3.4Å
341	V	44.4	Very low	74.7	Confident	122 Å²	122	48.8 Å²	48.8	74%	0.739	24%	0.244	S	C	*	.	S	Bend	trans	-65.6	-28.2	-176.5	-174.1	0	0	0	0	113.1	E339	E339-V341 HydrophobicContact CB-CG2 4.45Å; E339-V341 WeakPolarHBondContact O-CG2 3.32Å; E339-V341 PolarHBondContact O-N 3.2Å
342	R	49	Very low	75.7	Confident	217 Å²	217	48.4 Å²	48.4	82%	0.819	24%	0.242	S	C	*	.	S	Bend	trans	-142.1	157.1	174.4	-65.6	-174.5	177.9	-176.7	-0.9	109.4	Q340	Q340-R342 VanDerWaalsContact C-N 3.29Å; Q340-R342 PolarHBondContact O-N 3.4Å
343	G	59.3	Low	76.5	Confident	59 Å²	59	46.7 Å²	46.7	61%	0.608	24%	0.235	S	C	*	.			trans	-62.8	144.9	169.8	0	0	0	0	0	111.4
344	Y	70.6	Confident	77.5	Confident	60 Å²	60	45.6 Å²	45.6	24%	0.235	23%	0.23	C	C	.	.			trans	-96.7	161.7	178.9	62.7	-91.7	0	0	0	111.8	I283 R285 V337 A348	I283-Y344 HydrophobicContact CD1-CD2 4.45Å; I283-Y344 HydrophobicContact CD1-CE2 4.42Å; I283-Y344 HydrophobicContact CG2-CE2 4.26Å; R285-Y344 WeakPolarHBondContact CD-OH 3.4Å; R285-Y344 HydrophobicContact CG-CE2 4.1Å; R285-Y344 WeakPolarHBondContact CG-OH 3.31Å; R285-Y344 PolarHBondContact NE-OH 3.29Å; V337-Y344 HydrophobicContact CB-CD1 4.24Å; V337-Y344 HydrophobicContact CB-CE1 4.5Å; V337-Y344 HydrophobicContact CG1-CD1 4.03Å; V337-Y344 HydrophobicContact CG1-CE1 3.8Å; V337-Y344 HydrophobicContact CG2-CD1 3.86Å; V337-Y344 HydrophobicContact CG2-CD2 3.95Å; V337-Y344 HydrophobicContact CG2-CE1 4.26Å; V337-Y344 HydrophobicContact CG2-CE2 4.34Å; V337-Y344 HydrophobicContact CG2-CG 3.69Å; Y344-A348 HydrophobicContact CD2-CB 3.7Å; Y344-A348 HydrophobicContact CE2-CB 4.25Å; Y344-A348 HydrophobicContact CG-CB 4.47Å
345	D	83.2	Confident	78.7	Confident	70 Å²	70	45.6 Å²	45.6	37%	0.374	23%	0.23	S	C	.	.			trans	-114	-168.9	-179.7	73.9	1.2	0	0	0	112.2	K347 A348	D345-K347 PolarHBondContact O-N 2.77Å; D345-K347 VanDerWaalsContact O-N 3.15Å; D345-K347 WeakPolarHBondContact OD1-CB 3.47Å; D345-K347 VanDerWaalsContact OD1-CG 3.26Å; D345-K347 WeakPolarHBondContact OD1-CG 3.49Å; D345-K347 PolarHBondContact OD1-N 2.97Å; D345-A348 WeakPolarHBondContact O-CB 3.14Å; D345-A348 PolarHBondContact O-N 2.72Å
346	F	87.7	Confident	79.8	Confident	67 Å²	67	45.4 Å²	45.4	29%	0.294	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-13.2	179.8	66.8	-92.6	0	0	0	114.4	H278 I283 A348 D349 T421	H278-F346 HydrophobicContact CB-CB 4.25Å; H278-F346 HydrophobicContact CB-CD2 4.05Å; H278-F346 HydrophobicContact CB-CG 4.19Å; H278-F346 PolarHBondContact CE1-O 3.34Å; H278-F346 AromaticContact CG-CD2 3.8Å; H278-F346 AromaticContact ND1-CD2 3.48Å; H278-F346 WeakPolarHBondContact ND1-CD2 3.28Å; I283-F346 HydrophobicContact CG1-CB 4.24Å; F346-A348 PolarHBondContact O-N 2.74Å; F346-D349 PolarHBondContact O-N 3.49Å; F346-T421 HydrophobicContact CE2-CG2 4.23Å
347	K	93.1	Very high	80.8	Confident	23 Å²	23	44.1 Å²	44.1	10%	0.1	22%	0.223	C	C	.	.	H	α-helix	trans	-68.5	-16.5	173.9	-55.9	-65	-162.6	73.9	0	112.3	D345 D349 I350 W351 P416 A417 R419	D345-K347 PolarHBondContact O-N 2.77Å; D345-K347 VanDerWaalsContact O-N 3.15Å; D345-K347 WeakPolarHBondContact OD1-CB 3.47Å; D345-K347 VanDerWaalsContact OD1-CG 3.26Å; D345-K347 WeakPolarHBondContact OD1-CG 3.49Å; D345-K347 PolarHBondContact OD1-N 2.97Å; K347-D349 VanDerWaalsContact C-N 3.35Å; K347-I350 WeakPolarHBondContact O-CB 3.28Å; K347-I350 PolarHBondContact O-N 2.88Å; K347-W351 PolarHBondContact O-N 2.89Å; K347-P416 HydrophobicContact CB-CB 3.87Å; K347-P416 HydrophobicContact CG-CB 4.38Å; K347-P416 WeakPolarHBondContact CG-O 3.45Å; K347-P416 PolarHBondContact NZ-O 3.15Å; K347-A417 PolarHBondContact NZ-O 3.39Å; K347-R419 HydrophobicContact CD-CB 4.33Å; K347-R419 WeakPolarHBondContact CE-O 3.47Å; K347-R419 PolarHBondContact NZ-O 3.5Å; K347-R419 WeakPolarHBondContact O-CD 3.33Å; K347-R419 PolarHBondContact O-NH1 3.45Å
348	A	89.8	Confident	82.1	Confident	4 Å²	4	43 Å²	43	3%	0.033	22%	0.216	C	C	.	.	H	α-helix	trans	-60	-44	169.7	0	0	0	0	0	111.3	A334 V337 Y344 D345 F346 I350 W351 S352	A334-A348 HydrophobicContact CB-CB 4.35Å; V337-A348 HydrophobicContact CG2-CB 3.78Å; Y344-A348 HydrophobicContact CD2-CB 3.7Å; Y344-A348 HydrophobicContact CE2-CB 4.25Å; Y344-A348 HydrophobicContact CG-CB 4.47Å; D345-A348 WeakPolarHBondContact O-CB 3.14Å; D345-A348 PolarHBondContact O-N 2.72Å; F346-A348 PolarHBondContact O-N 2.74Å; A348-I350 PolarHBondContact O-N 3.24Å; A348-W351 WeakPolarHBondContact O-CB 3.47Å; A348-W351 PolarHBondContact O-N 3.15Å; A348-W351 VanDerWaalsContact O-N 3.16Å; A348-S352 PolarHBondContact O-N 2.82Å; A348-S352 VanDerWaalsContact O-N 3.08Å; A348-S352 PolarHBondContact O-OG 2.98Å; A348-S352 VanDerWaalsContact O-OG 3.11Å
349	D	93.4	Very high	83.5	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.6	-31	177.1	-68.9	-26.4	0	0	0	112.4	L274 H278 I283 H284 R285 V287 F346 K347 W351 S352 F353	L274-D349 HydrophobicContact CD2-CB 4.16Å; H278-D349 IonicContact CD2-OD2 2.76Å; H278-D349 IonicContact CE1-OD2 2.68Å; H278-D349 IonicContact NE2-OD2 2.73Å; H278-D349 PolarHBondContact NE2-OD2 3.1Å; I283-D349 WeakPolarHBondContact CG2-OD2 3.27Å; H284-D349 PolarHBondContact N-OD1 2.87Å; H284-D349 PolarHBondContact N-OD2 3.3Å; R285-D349 PolarHBondContact N-OD1 3.06Å; V287-D349 HydrophobicContact CG2-CB 4.2Å; F346-D349 PolarHBondContact O-N 3.49Å; K347-D349 VanDerWaalsContact C-N 3.35Å; D349-W351 VanDerWaalsContact C-N 3.35Å; D349-S352 PolarHBondContact O-N 3.08Å; D349-F353 VanDerWaalsContact O-CB 3.22Å; D349-F353 WeakPolarHBondContact O-CB 3.46Å; D349-F353 PolarHBondContact O-N 3.43Å
350	I	98	Very high	85.1	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-68.1	-36.3	178.5	-55.1	-62.1	0	0	0	111.1	K347 A348 G354 C411 R419 A422 L425	K347-I350 WeakPolarHBondContact O-CB 3.28Å; K347-I350 PolarHBondContact O-N 2.88Å; A348-I350 PolarHBondContact O-N 3.24Å; I350-G354 PolarHBondContact O-N 2.99Å; I350-C411 HydrophobicContact CG2-CB 4.23Å; I350-C411 WeakPolarHBondContact O-CB 3.46Å; I350-R419 HydrophobicContact CB-CB 4.47Å; I350-R419 HydrophobicContact CG2-CB 4.09Å; I350-A422 HydrophobicContact CD1-CB 4.37Å; I350-L425 HydrophobicContact CD1-CD1 4.17Å; I350-L425 HydrophobicContact CG2-CD1 3.87Å
351	W	96.4	Very high	86.5	Confident	1 Å²	1	30.3 Å²	30.3	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-67.1	-48.1	170.8	174.2	-78.2	0	0	0	110.9	M333 A334 P335 K347 A348 D349 F353 G354 I355 T379 P384 L412 K414	M333-W351 PolarHBondContact O-NE1 2.92Å; A334-W351 VanDerWaalsContact CA-CD1 3.48Å; A334-W351 HydrophobicContact CB-CB 3.72Å; A334-W351 HydrophobicContact CB-CD2 4.28Å; A334-W351 HydrophobicContact CB-CG 3.64Å; P335-W351 HydrophobicContact CG-CE3 4.46Å; P335-W351 HydrophobicContact CG-CH2 3.96Å; P335-W351 HydrophobicContact CG-CZ2 4.18Å; P335-W351 HydrophobicContact CG-CZ3 4.1Å; K347-W351 PolarHBondContact O-N 2.89Å; A348-W351 WeakPolarHBondContact O-CB 3.47Å; A348-W351 PolarHBondContact O-N 3.15Å; A348-W351 VanDerWaalsContact O-N 3.16Å; D349-W351 VanDerWaalsContact C-N 3.35Å; W351-F353 VanDerWaalsContact C-N 3.27Å; W351-F353 PolarHBondContact O-N 2.92Å; W351-G354 CarbonylContact O-C 3.55Å; W351-G354 WeakPolarHBondContact O-CA 3.35Å; W351-G354 PolarHBondContact O-N 2.82Å; W351-I355 PolarHBondContact O-N 3.38Å; W351-T379 HydrophobicContact CZ2-CG2 3.86Å; W351-P384 HydrophobicContact CH2-CB 4.02Å; W351-P384 HydrophobicContact CZ3-CB 4.16Å; W351-P384 HydrophobicContact CZ3-CG 4.46Å; W351-L412 HydrophobicContact CD2-CD2 3.59Å; W351-L412 HydrophobicContact CE3-CB 4.31Å; W351-L412 HydrophobicContact CE3-CD2 3.84Å; W351-L412 HydrophobicContact CG-CD2 3.94Å; W351-L412 HydrophobicContact CH2-CD2 4.47Å; W351-L412 HydrophobicContact CZ2-CD2 4.27Å; W351-L412 HydrophobicContact CZ3-CB 4.17Å; W351-L412 HydrophobicContact CZ3-CD2 4.27Å; W351-L412 WeakPolarHBondContact O-CD2 3.49Å; W351-K414 HydrophobicContact CH2-CD 4.18Å; W351-K414 HydrophobicContact CZ3-CD 4.32Å
352	S	95.4	Very high	88.6	Confident	4 Å²	4	26 Å²	26	3%	0.028	13%	0.13	C	C	.	.	H	α-helix	trans	-57.8	-38.7	176.9	-51.1	0	0	0	0	112.4	W332 A348 D349 I355 T356	W332-S352 WeakPolarHBondContact O-CA 3.5Å; W332-S352 PolarHBondContact O-OG 2.86Å; A348-S352 PolarHBondContact O-N 2.82Å; A348-S352 VanDerWaalsContact O-N 3.08Å; A348-S352 PolarHBondContact O-OG 2.98Å; A348-S352 VanDerWaalsContact O-OG 3.11Å; D349-S352 PolarHBondContact O-N 3.08Å; S352-I355 PolarHBondContact O-N 2.77Å; S352-T356 WeakPolarHBondContact O-CB 3.45Å; S352-T356 PolarHBondContact O-N 2.85Å; S352-T356 PolarHBondContact O-OG1 3.22Å
353	F	98.2	Very high	90.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.9	-40.9	170.4	169.9	-91.4	0	0	0	112.1	L267 V270 L271 L274 D349 W351 T356 A357 L407 L425	L267-F353 HydrophobicContact CB-CE2 3.86Å; L267-F353 HydrophobicContact CB-CZ 3.91Å; L267-F353 HydrophobicContact CD1-CE2 4.48Å; L267-F353 HydrophobicContact CD1-CZ 4.17Å; L267-F353 HydrophobicContact CD2-CD2 4.19Å; L267-F353 HydrophobicContact CD2-CE2 3.64Å; L267-F353 HydrophobicContact CD2-CZ 4.16Å; L267-F353 HydrophobicContact CG-CE2 4.18Å; L267-F353 HydrophobicContact CG-CZ 4.3Å; V270-F353 HydrophobicContact CG1-CD2 3.93Å; V270-F353 HydrophobicContact CG1-CE2 4.24Å; L271-F353 HydrophobicContact CD1-CE1 4.37Å; L271-F353 HydrophobicContact CD1-CE2 4.17Å; L271-F353 HydrophobicContact CD1-CZ 3.65Å; L271-F353 HydrophobicContact CD2-CD1 4.34Å; L271-F353 HydrophobicContact CD2-CD2 4.14Å; L271-F353 HydrophobicContact CD2-CE1 3.97Å; L271-F353 HydrophobicContact CD2-CE2 3.73Å; L271-F353 HydrophobicContact CD2-CG 4.43Å; L271-F353 HydrophobicContact CD2-CZ 3.65Å; L271-F353 HydrophobicContact CG-CD2 4.38Å; L271-F353 HydrophobicContact CG-CE1 4.33Å; L271-F353 HydrophobicContact CG-CE2 3.55Å; L271-F353 HydrophobicContact CG-CZ 3.54Å; L274-F353 HydrophobicContact CD1-CB 4.23Å; L274-F353 HydrophobicContact CD1-CD2 4.27Å; D349-F353 VanDerWaalsContact O-CB 3.22Å; D349-F353 WeakPolarHBondContact O-CB 3.46Å; D349-F353 PolarHBondContact O-N 3.43Å; W351-F353 VanDerWaalsContact C-N 3.27Å; W351-F353 PolarHBondContact O-N 2.92Å; F353-T356 PolarHBondContact O-N 2.83Å; F353-A357 PolarHBondContact O-N 2.87Å; F353-L407 HydrophobicContact CE1-CD2 4.23Å; F353-L407 HydrophobicContact CZ-CD2 4.43Å; F353-L425 HydrophobicContact CD1-CD1 4.25Å; F353-L425 HydrophobicContact CE1-CD1 4.13Å
354	G	97.8	Very high	91.8	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.01	8%	0.082	C	C	.	.	H	α-helix	trans	-60.9	-41.4	173.1	0	0	0	0	0	113.4	I350 W351 A357 I358	I350-G354 PolarHBondContact O-N 2.99Å; W351-G354 CarbonylContact O-C 3.55Å; W351-G354 WeakPolarHBondContact O-CA 3.35Å; W351-G354 PolarHBondContact O-N 2.82Å; G354-A357 PolarHBondContact O-N 3.37Å; G354-I358 PolarHBondContact O-N 3.45Å
355	I	96.3	Very high	92.7	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.01	7%	0.071	C	C	.	.	H	α-helix	trans	-67.2	-41.9	172.4	-59.4	-60.1	0	0	0	110.9	C331 W332 W351 S352 A357 I358 E359 A365 P366 P385 L412	C331-I355 WeakPolarHBondContact O-CG2 3.38Å; W332-I355 HydrophobicContact CB-CG2 4.36Å; W332-I355 HydrophobicContact CD2-CG2 4.25Å; W332-I355 HydrophobicContact CG-CB 4.36Å; W332-I355 HydrophobicContact CG-CG2 3.81Å; W351-I355 PolarHBondContact O-N 3.38Å; S352-I355 PolarHBondContact O-N 2.77Å; I355-A357 VanDerWaalsContact C-N 3.27Å; I355-A357 PolarHBondContact O-N 3.41Å; I355-I358 WeakPolarHBondContact O-CB 3.19Å; I355-I358 PolarHBondContact O-N 2.89Å; I355-E359 PolarHBondContact O-N 3.39Å; I355-A365 HydrophobicContact CG2-CB 3.74Å; I355-P366 HydrophobicContact CD1-CG 4.31Å; I355-P385 HydrophobicContact CD1-CG 3.78Å; I355-L412 HydrophobicContact CD1-CD1 4.06Å; I355-L412 HydrophobicContact CD1-CD2 3.75Å; I355-L412 HydrophobicContact CG1-CD2 3.98Å
356	T	96.3	Very high	92.9	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.8	-35.5	177.4	-54.6	0	0	0	0	111.6	V287 K288 I292 S352 F353 I358 E359 L360	V287-T356 PolarHBondContact O-OG1 2.87Å; K288-T356 WeakPolarHBondContact CA-OG1 3.25Å; I292-T356 HydrophobicContact CD1-CG2 3.6Å; S352-T356 WeakPolarHBondContact O-CB 3.45Å; S352-T356 PolarHBondContact O-N 2.85Å; S352-T356 PolarHBondContact O-OG1 3.22Å; F353-T356 PolarHBondContact O-N 2.83Å; T356-I358 VanDerWaalsContact C-N 3.34Å; T356-I358 PolarHBondContact O-N 2.92Å; T356-E359 WeakPolarHBondContact O-CB 3.36Å; T356-E359 PolarHBondContact O-N 2.89Å; T356-L360 WeakPolarHBondContact O-CG 3.3Å; T356-L360 PolarHBondContact O-N 2.96Å
357	A	96.9	Very high	92.7	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-61.8	-40.4	173	0	0	0	0	0	111.9	L267 F353 G354 I355 A361 F404 I408	L267-A357 HydrophobicContact CD1-CB 3.65Å; F353-A357 PolarHBondContact O-N 2.87Å; G354-A357 PolarHBondContact O-N 3.37Å; I355-A357 VanDerWaalsContact C-N 3.27Å; I355-A357 PolarHBondContact O-N 3.41Å; A357-A361 PolarHBondContact O-N 3.32Å; A357-F404 HydrophobicContact CB-CE2 4.13Å; A357-F404 HydrophobicContact CB-CZ 4.28Å; A357-F404 WeakPolarHBondContact O-CZ 3.25Å; A357-I408 HydrophobicContact CB-CG1 4.09Å
358	I	94.6	Very high	92.1	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-64.6	-48.4	172.1	-60.9	171.3	0	0	0	110.1	G354 I355 T356 L360 A361 T362 P366 L387 I408 L412	G354-I358 PolarHBondContact O-N 3.45Å; I355-I358 WeakPolarHBondContact O-CB 3.19Å; I355-I358 PolarHBondContact O-N 2.89Å; T356-I358 VanDerWaalsContact C-N 3.34Å; T356-I358 PolarHBondContact O-N 2.92Å; I358-L360 VanDerWaalsContact C-N 3.31Å; I358-L360 PolarHBondContact O-N 2.87Å; I358-A361 CarbonylContact O-C 3.55Å; I358-A361 WeakPolarHBondContact O-CA 3.45Å; I358-A361 WeakPolarHBondContact O-CB 3.39Å; I358-A361 PolarHBondContact O-N 3.13Å; I358-T362 HydrophobicContact CG2-CG2 3.79Å; I358-T362 PolarHBondContact O-N 2.79Å; I358-T362 PolarHBondContact O-OG1 2.95Å; I358-P366 HydrophobicContact CD1-CG 3.71Å; I358-P366 HydrophobicContact CG2-CG 4.1Å; I358-L387 HydrophobicContact CG2-CD1 4.3Å; I358-I408 HydrophobicContact CD1-CG2 3.87Å; I358-I408 HydrophobicContact CG1-CD1 4Å; I358-I408 HydrophobicContact CG1-CG1 4.36Å; I358-I408 HydrophobicContact CG1-CG2 3.92Å; I358-L412 HydrophobicContact CD1-CD1 3.83Å
359	E	92.9	Very high	91.4	Very high	6 Å²	6	16.1 Å²	16.1	3%	0.028	8%	0.081	C	C	.	.	H	α-helix	trans	-54	-41.9	179.6	-175.6	-173.9	-169.3	0	0	113	A289 W332 I355 T356 A361 G363	A289-E359 HydrophobicContact CB-CG 3.96Å; A289-E359 WeakPolarHBondContact CB-OE1 3.34Å; A289-E359 WeakPolarHBondContact CB-OE2 3.32Å; A289-E359 PolarHBondContact N-OE2 3.07Å; W332-E359 HydrophobicContact CZ2-CG 4.36Å; W332-E359 WeakPolarHBondContact CZ2-OE1 3.29Å; W332-E359 PolarHBondContact NE1-OE2 2.68Å; I355-E359 PolarHBondContact O-N 3.39Å; T356-E359 WeakPolarHBondContact O-CB 3.36Å; T356-E359 PolarHBondContact O-N 2.89Å; E359-A361 VanDerWaalsContact C-N 3.27Å; E359-A361 PolarHBondContact O-N 2.81Å; E359-G363 CarbonylContact O-C 3.57Å; E359-G363 WeakPolarHBondContact O-CA 3.31Å; E359-G363 PolarHBondContact O-N 2.72Å
360	L	92.6	Very high	90.3	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-67.4	-24.4	175.4	-66.8	-176.5	0	0	0	113.7	M240 I244 L258 I263 I266 L267 A289 T356 I358	M240-L360 HydrophobicContact CB-CD2 3.83Å; M240-L360 HydrophobicContact CE-CD2 4.08Å; M240-L360 HydrophobicContact CG-CD2 4.17Å; I244-L360 HydrophobicContact CD1-CD2 4.08Å; L258-L360 WeakPolarHBondContact CB-O 3.4Å; L258-L360 HydrophobicContact CD1-CB 4.38Å; L258-L360 HydrophobicContact CD1-CD2 4.26Å; L258-L360 WeakPolarHBondContact CG-O 3.49Å; I263-L360 HydrophobicContact CD1-CB 4.28Å; I263-L360 HydrophobicContact CG1-CB 4.18Å; I263-L360 HydrophobicContact CG2-CB 4.4Å; I263-L360 HydrophobicContact CG2-CD1 4.31Å; I266-L360 HydrophobicContact CB-CD1 4.46Å; I266-L360 HydrophobicContact CG2-CD1 4.03Å; L267-L360 HydrophobicContact CD2-CD1 3.76Å; L267-L360 HydrophobicContact CG-CD1 4.09Å; A289-L360 HydrophobicContact CB-CD2 3.88Å; T356-L360 WeakPolarHBondContact O-CG 3.3Å; T356-L360 PolarHBondContact O-N 2.96Å; I358-L360 VanDerWaalsContact C-N 3.31Å; I358-L360 PolarHBondContact O-N 2.87Å
361	A	91.5	Very high	88.5	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-95.6	-29.2	-176.5	0	0	0	0	0	114	A257 I263 A357 I358 E359 L387 Y400 F404	A257-A361 WeakPolarHBondContact CB-O 3.4Å; I263-A361 HydrophobicContact CD1-CB 3.88Å; A357-A361 PolarHBondContact O-N 3.32Å; I358-A361 CarbonylContact O-C 3.55Å; I358-A361 WeakPolarHBondContact O-CA 3.45Å; I358-A361 WeakPolarHBondContact O-CB 3.39Å; I358-A361 PolarHBondContact O-N 3.13Å; E359-A361 VanDerWaalsContact C-N 3.27Å; E359-A361 PolarHBondContact O-N 2.81Å; A361-L387 HydrophobicContact CB-CD1 3.79Å; A361-Y400 WeakPolarHBondContact CA-OH 3.31Å; A361-Y400 HydrophobicContact CB-CD2 4.5Å; A361-Y400 HydrophobicContact CB-CE1 4.03Å; A361-Y400 HydrophobicContact CB-CE2 3.87Å; A361-Y400 PolarHBondContact O-OH 3.48Å; A361-F404 HydrophobicContact CB-CE1 3.66Å; A361-F404 HydrophobicContact CB-CZ 3.92Å
362	T	88.1	Confident	86.9	Confident	30 Å²	30	28.9 Å²	28.9	18%	0.184	15%	0.151	C	C	.	.	H	α-helix	trans	-111.3	-15	-176.8	62.4	0	0	0	0	113.3	I358 S364 L387 V391 L397	I358-T362 HydrophobicContact CG2-CG2 3.79Å; I358-T362 PolarHBondContact O-N 2.79Å; I358-T362 PolarHBondContact O-OG1 2.95Å; T362-S364 VanDerWaalsContact C-N 3.33Å; T362-S364 PolarHBondContact OG1-N 3.09Å; T362-S364 PolarHBondContact OG1-O 3.28Å; T362-L387 HydrophobicContact CG2-CD1 3.95Å; T362-V391 HydrophobicContact CG2-CG2 3.52Å; T362-L397 HydrophobicContact CG2-CD2 4.34Å
363	G	87.1	Confident	84.9	Confident	20 Å²	20	34.6 Å²	34.6	21%	0.206	18%	0.179	C	C	.	.	S	Bend	trans	83.3	-2	-170.8	0	0	0	0	0	115	E359	E359-G363 CarbonylContact O-C 3.57Å; E359-G363 WeakPolarHBondContact O-CA 3.31Å; E359-G363 PolarHBondContact O-N 2.72Å
364	S	87.4	Confident	83.4	Confident	30 Å²	30	39.5 Å²	39.5	21%	0.21	20%	0.2	C	C	.	.	S	Bend	trans	-159.1	153.1	-179.2	63.2	0	0	0	0	113.9	T362 H368	T362-S364 VanDerWaalsContact C-N 3.33Å; T362-S364 PolarHBondContact OG1-N 3.09Å; T362-S364 PolarHBondContact OG1-O 3.28Å; S364-H368 PolarHBondContact OG-CD2 3.27Å; S364-H368 PolarHBondContact OG-NE2 2.71Å
365	A	89.4	Confident	82	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.2	C	C	.	.			trans	-67.4	149.3	173.9	0	0	0	0	0	112	C331 W332 I355 Y367 H368	C331-A365 HydrophobicContact CB-CB 3.65Å; W332-A365 HydrophobicContact CD2-CB 4.21Å; W332-A365 HydrophobicContact CE3-CB 4.33Å; W332-A365 HydrophobicContact CH2-CB 3.76Å; W332-A365 HydrophobicContact CZ2-CB 3.62Å; W332-A365 HydrophobicContact CZ3-CB 4.11Å; I355-A365 HydrophobicContact CG2-CB 3.74Å; A365-Y367 PolarHBondContact O-N 2.91Å; A365-H368 VanDerWaalsContact O-CB 3.29Å; A365-H368 WeakPolarHBondContact O-CB 3.5Å; A365-H368 PolarHBondContact O-CD2 2.55Å; A365-H368 PolarHBondContact O-N 3.35Å
366	P	87.6	Confident	80.5	Confident	7 Å²	7	40.6 Å²	40.6	5%	0.045	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-36.9	-171.7	-32.1	35.7	0	0	0	116.4	I355 I358 P385 M389	I355-P366 HydrophobicContact CD1-CG 4.31Å; I358-P366 HydrophobicContact CD1-CG 3.71Å; I358-P366 HydrophobicContact CG2-CG 4.1Å; P366-P385 HydrophobicContact CB-CB 3.7Å; P366-P385 HydrophobicContact CB-CG 4.35Å; P366-P385 HydrophobicContact CG-CB 3.71Å; P366-P385 HydrophobicContact CG-CG 4.07Å; P366-M389 HydrophobicContact CB-CB 4.15Å; P366-M389 HydrophobicContact CB-CG 4.15Å; P366-M389 HydrophobicContact CB-SD 4.41Å
367	Y	83.1	Confident	79.1	Confident	11 Å²	11	45.3 Å²	45.3	4%	0.043	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	17.6	-176.4	-60.2	-43.4	0	0	0	114.1	A365 R369 Y370 V375 L378 T379 M389	A365-Y367 PolarHBondContact O-N 2.91Å; Y367-R369 PolarHBondContact O-N 3.25Å; Y367-Y370 HydrophobicContact CD1-CD2 4.08Å; Y367-Y370 HydrophobicContact CD1-CE2 4.12Å; Y367-Y370 HydrophobicContact CG-CD2 4.45Å; Y367-Y370 PolarHBondContact O-N 3.01Å; Y367-V375 HydrophobicContact CD2-CG1 4.3Å; Y367-L378 HydrophobicContact CD1-CD1 4.12Å; Y367-L378 HydrophobicContact CD2-CB 4.45Å; Y367-L378 HydrophobicContact CE1-CB 4.24Å; Y367-L378 HydrophobicContact CE1-CD1 4.29Å; Y367-L378 HydrophobicContact CE2-CB 4.09Å; Y367-T379 WeakPolarHBondContact CE2-OG1 3.37Å; Y367-M389 HydrophobicContact CD1-SD 4.31Å; Y367-M389 HydrophobicContact CE1-CG 4.24Å; Y367-M389 HydrophobicContact CE1-SD 3.34Å; Y367-M389 WeakPolarHBondContact CE1-SD 3.43Å; Y367-M389 PolarHBondContact OH-SD 3.16Å; Y367-M389 VanDerWaalsContact OH-SD 3.39Å
368	H	80.4	Confident	78.1	Confident	87 Å²	87	46.9 Å²	46.9	40%	0.403	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-14.7	-174.1	80.7	95.8	0	0	0	116.1	S364 A365	S364-H368 PolarHBondContact OG-CD2 3.27Å; S364-H368 PolarHBondContact OG-NE2 2.71Å; A365-H368 VanDerWaalsContact O-CB 3.29Å; A365-H368 WeakPolarHBondContact O-CB 3.5Å; A365-H368 PolarHBondContact O-CD2 2.55Å; A365-H368 PolarHBondContact O-N 3.35Å
369	R	76.2	Confident	77.3	Confident	139 Å²	139	47.1 Å²	47.1	53%	0.525	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-7.1	179	-53.5	-172.3	-171	-155.1	7.8	113.8	Y367 G390 E392	Y367-R369 PolarHBondContact O-N 3.25Å; R369-G390 PolarHBondContact NH2-O 2.93Å; R369-E392 IonicContact CZ-OE1 3.97Å; R369-E392 IonicContact NH1-OE1 2.61Å; R369-E392 PolarHBondContact NH1-OE1 2.82Å; R369-E392 IonicContact NH2-OE1 3.9Å; R369-E392 PolarHBondContact NH2-OE1 3.46Å
370	Y	70.4	Confident	76.4	Confident	106 Å²	106	49.4 Å²	49.4	42%	0.416	25%	0.251	S	S	.	.	S	Bend	trans	-106.8	144.9	-173.9	-61	-52.9	0	0	0	112.3	Y367 K374 V375 L378	Y367-Y370 HydrophobicContact CD1-CD2 4.08Å; Y367-Y370 HydrophobicContact CD1-CE2 4.12Å; Y367-Y370 HydrophobicContact CG-CD2 4.45Å; Y367-Y370 PolarHBondContact O-N 3.01Å; Y370-K374 HydrophobicContact CD1-CD 3.83Å; Y370-K374 HydrophobicContact CD1-CG 4.38Å; Y370-K374 HydrophobicContact CE1-CD 4.46Å; Y370-K374 HydrophobicContact CG-CD 4.17Å; Y370-K374 HydrophobicContact CG-CG 4.21Å; Y370-V375 VanDerWaalsContact O-CG2 3.31Å; Y370-V375 WeakPolarHBondContact O-CG2 3.33Å; Y370-L378 HydrophobicContact CD2-CD1 3.35Å; Y370-L378 HydrophobicContact CE2-CD1 3.57Å; Y370-L378 HydrophobicContact CG-CD1 4Å
371	P	60.8	Low	75.7	Confident	86 Å²	86	55.9 Å²	55.9	56%	0.558	28%	0.281	S	S	*	.			trans	-61.2	153.1	172.7	-23.9	34.4	0	0	0	112.6	M373 K374 V375	P371-M373 VanDerWaalsContact C-N 3.34Å; P371-M373 PolarHBondContact O-N 2.8Å; P371-M373 VanDerWaalsContact O-N 3.13Å; P371-K374 WeakPolarHBondContact O-CA 3.29Å; P371-K374 WeakPolarHBondContact O-CB 3.42Å; P371-K374 PolarHBondContact O-N 2.65Å; P371-V375 PolarHBondContact O-N 3.23Å
372	P	62.2	Low	75.5	Confident	77 Å²	77	59.2 Å²	59.2	50%	0.5	30%	0.299	S	S	.	.	H	α-helix	trans	-46.4	-46.7	-174.9	-33.7	37.4	0	0	0	115.8	P330 K374 V375 L376	P330-P372 HydrophobicContact CG-CB 4Å; P330-P372 HydrophobicContact CG-CG 4.23Å; P372-K374 VanDerWaalsContact C-N 3.29Å; P372-K374 PolarHBondContact O-N 2.83Å; P372-V375 WeakPolarHBondContact O-CB 3.39Å; P372-V375 PolarHBondContact O-N 2.93Å; P372-L376 WeakPolarHBondContact O-CB 3.49Å; P372-L376 PolarHBondContact O-N 3.41Å
373	M	54	Low	75.6	Confident	124 Å²	124	64.5 Å²	64.5	61%	0.611	33%	0.326	S	S	*	.	H	α-helix	trans	-65.3	-30.1	179	-67.6	-55.7	-61.2	0	0	113.5	P371 L376 M377	P371-M373 VanDerWaalsContact C-N 3.34Å; P371-M373 PolarHBondContact O-N 2.8Å; P371-M373 VanDerWaalsContact O-N 3.13Å; M373-L376 HydrophobicContact CE-CD2 3.78Å; M373-L376 WeakPolarHBondContact O-CB 3.12Å; M373-L376 HydrophobicContact SD-CD2 4.1Å; M373-M377 WeakPolarHBondContact O-CG 3.32Å; M373-M377 PolarHBondContact O-N 3.31Å; M373-M377 VanDerWaalsContact O-N 3.16Å
374	K	66.1	Low	75.8	Confident	103 Å²	103	65.1 Å²	65.1	45%	0.448	33%	0.326	S	S	.	.	H	α-helix	trans	-78.7	-35.8	175	-176.5	164.7	-179	167.1	0	111.3	Y370 P371 P372 L376 M377 L378	Y370-K374 HydrophobicContact CD1-CD 3.83Å; Y370-K374 HydrophobicContact CD1-CG 4.38Å; Y370-K374 HydrophobicContact CE1-CD 4.46Å; Y370-K374 HydrophobicContact CG-CD 4.17Å; Y370-K374 HydrophobicContact CG-CG 4.21Å; P371-K374 WeakPolarHBondContact O-CA 3.29Å; P371-K374 WeakPolarHBondContact O-CB 3.42Å; P371-K374 PolarHBondContact O-N 2.65Å; P372-K374 VanDerWaalsContact C-N 3.29Å; P372-K374 PolarHBondContact O-N 2.83Å; K374-L376 VanDerWaalsContact C-N 3.33Å; K374-M377 PolarHBondContact O-N 2.92Å; K374-L378 HydrophobicContact CG-CD1 3.88Å; K374-L378 HydrophobicContact CG-CG 4.23Å; K374-L378 WeakPolarHBondContact O-CB 3.48Å; K374-L378 WeakPolarHBondContact O-CD1 3.18Å; K374-L378 WeakPolarHBondContact O-CG 3.45Å; K374-L378 PolarHBondContact O-N 3.15Å
375	V	68.8	Low	76.1	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.006	32%	0.318	C	S	.	.	H	α-helix	trans	-59.3	-45.7	170.7	179	0	0	0	0	110.7	P330 C331 Y367 Y370 P371 P372 L378 T379	P330-V375 HydrophobicContact CB-CB 4.43Å; P330-V375 HydrophobicContact CB-CG1 4.15Å; C331-V375 HydrophobicContact CB-CG1 4.23Å; Y367-V375 HydrophobicContact CD2-CG1 4.3Å; Y370-V375 VanDerWaalsContact O-CG2 3.31Å; Y370-V375 WeakPolarHBondContact O-CG2 3.33Å; P371-V375 PolarHBondContact O-N 3.23Å; P372-V375 WeakPolarHBondContact O-CB 3.39Å; P372-V375 PolarHBondContact O-N 2.93Å; V375-L378 PolarHBondContact O-N 3.1Å; V375-T379 VanDerWaalsContact O-CB 3.27Å; V375-T379 WeakPolarHBondContact O-CB 3.32Å; V375-T379 PolarHBondContact O-N 3.03Å; V375-T379 PolarHBondContact O-OG1 3.41Å
376	L	64.1	Low	76.2	Confident	25 Å²	25	66.3 Å²	66.3	13%	0.131	33%	0.333	C	S	.	.	H	α-helix	trans	-54.1	-57.1	174.5	178.7	70.4	0	0	0	111.2	F326 M338 P372 M373 K374 L378 T379 L380	F326-L376 HydrophobicContact CE2-CD1 4.1Å; F326-L376 HydrophobicContact CZ-CD1 4Å; M338-L376 HydrophobicContact CB-CD1 3.49Å; M338-L376 VanDerWaalsContact CB-CD1 3.49Å; M338-L376 HydrophobicContact CG-CD1 3.52Å; M338-L376 HydrophobicContact SD-CD1 3.81Å; P372-L376 WeakPolarHBondContact O-CB 3.49Å; P372-L376 PolarHBondContact O-N 3.41Å; M373-L376 HydrophobicContact CE-CD2 3.78Å; M373-L376 WeakPolarHBondContact O-CB 3.12Å; M373-L376 HydrophobicContact SD-CD2 4.1Å; K374-L376 VanDerWaalsContact C-N 3.33Å; L376-L378 PolarHBondContact O-N 3.16Å; L376-T379 PolarHBondContact O-N 2.86Å; L376-L380 HydrophobicContact CD1-CD1 4.22Å; L376-L380 HydrophobicContact CG-CD1 4.38Å; L376-L380 WeakPolarHBondContact O-CG 3.31Å; L376-L380 PolarHBondContact O-N 2.83Å
377	M	65.8	Low	76.3	Confident	99 Å²	99	66.1 Å²	66.1	49%	0.488	33%	0.331	S	S	.	.	H	α-helix	trans	-59	-48.3	179.5	-71.1	-179.8	72	0	0	112.9	M373 K374 T379 L380 Q381	M373-M377 WeakPolarHBondContact O-CG 3.32Å; M373-M377 PolarHBondContact O-N 3.31Å; M373-M377 VanDerWaalsContact O-N 3.16Å; K374-M377 PolarHBondContact O-N 2.92Å; M377-T379 VanDerWaalsContact C-N 3.32Å; M377-T379 PolarHBondContact O-N 2.85Å; M377-L380 PolarHBondContact O-N 3.07Å; M377-Q381 VanDerWaalsContact O-CB 3.28Å; M377-Q381 WeakPolarHBondContact O-CB 3.41Å; M377-Q381 VanDerWaalsContact O-CG 3.31Å; M377-Q381 WeakPolarHBondContact O-CG 3.22Å; M377-Q381 PolarHBondContact O-N 2.96Å
378	L	75.9	Confident	76.5	Confident	32 Å²	32	69 Å²	69	17%	0.168	35%	0.345	C	S	.	.	H	α-helix	trans	-61.7	-39.5	-179.6	-67.9	169.2	0	0	0	112	Y367 Y370 K374 V375 L376 N382	Y367-L378 HydrophobicContact CD1-CD1 4.12Å; Y367-L378 HydrophobicContact CD2-CB 4.45Å; Y367-L378 HydrophobicContact CE1-CB 4.24Å; Y367-L378 HydrophobicContact CE1-CD1 4.29Å; Y367-L378 HydrophobicContact CE2-CB 4.09Å; Y370-L378 HydrophobicContact CD2-CD1 3.35Å; Y370-L378 HydrophobicContact CE2-CD1 3.57Å; Y370-L378 HydrophobicContact CG-CD1 4Å; K374-L378 HydrophobicContact CG-CD1 3.88Å; K374-L378 HydrophobicContact CG-CG 4.23Å; K374-L378 WeakPolarHBondContact O-CB 3.48Å; K374-L378 WeakPolarHBondContact O-CD1 3.18Å; K374-L378 WeakPolarHBondContact O-CG 3.45Å; K374-L378 PolarHBondContact O-N 3.15Å; V375-L378 PolarHBondContact O-N 3.1Å; L376-L378 PolarHBondContact O-N 3.16Å; L378-N382 WeakPolarHBondContact CD2-ND2 3.38Å; L378-N382 VanDerWaalsContact O-CB 3.3Å; L378-N382 WeakPolarHBondContact O-CB 3.48Å; L378-N382 PolarHBondContact O-N 2.87Å; L378-N382 VanDerWaalsContact O-N 3.09Å; L378-N382 PolarHBondContact O-ND2 3.13Å
379	T	79.4	Confident	76.6	Confident	6 Å²	6	68 Å²	68	4%	0.037	34%	0.341	C	S	.	.	H	α-helix	trans	-71.2	-32.4	-179.4	-54.7	0	0	0	0	112.3	P335 M338 W351 Y367 V375 L376 M377 K414	P335-T379 HydrophobicContact CG-CG2 4.33Å; M338-T379 HydrophobicContact CE-CG2 3.78Å; M338-T379 HydrophobicContact SD-CG2 3.62Å; W351-T379 HydrophobicContact CZ2-CG2 3.86Å; Y367-T379 WeakPolarHBondContact CE2-OG1 3.37Å; V375-T379 VanDerWaalsContact O-CB 3.27Å; V375-T379 WeakPolarHBondContact O-CB 3.32Å; V375-T379 PolarHBondContact O-N 3.03Å; V375-T379 PolarHBondContact O-OG1 3.41Å; L376-T379 PolarHBondContact O-N 2.86Å; M377-T379 VanDerWaalsContact C-N 3.32Å; M377-T379 PolarHBondContact O-N 2.85Å; T379-K414 WeakPolarHBondContact O-CE 3.37Å; T379-K414 PolarHBondContact O-NZ 2.72Å
380	L	73.2	Confident	76.3	Confident	54 Å²	54	62.9 Å²	62.9	28%	0.283	33%	0.331	S	S	.	.	H	α-helix	trans	-77.2	-48.7	173.9	-66.9	178.4	0	0	0	112.1	P335 M338 E339 L376 M377 K414	P335-L380 HydrophobicContact CB-CD2 4.1Å; M338-L380 HydrophobicContact CB-CD1 4.38Å; M338-L380 HydrophobicContact CB-CD2 3.85Å; M338-L380 HydrophobicContact CB-CG 4.27Å; M338-L380 HydrophobicContact SD-CD2 4.44Å; M338-L380 HydrophobicContact SD-CG 4.39Å; E339-L380 HydrophobicContact CG-CD2 3.7Å; L376-L380 HydrophobicContact CD1-CD1 4.22Å; L376-L380 HydrophobicContact CG-CD1 4.38Å; L376-L380 WeakPolarHBondContact O-CG 3.31Å; L376-L380 PolarHBondContact O-N 2.83Å; M377-L380 PolarHBondContact O-N 3.07Å; L380-K414 PolarHBondContact O-NZ 2.58Å
381	Q	79.1	Confident	76.7	Confident	136 Å²	136	59.3 Å²	59.3	64%	0.636	32%	0.321	S	S	*	.	H	α-helix	trans	-83.3	-34.4	-167.3	-65.8	175.1	-31.2	0	0	114.9	M377	M377-Q381 VanDerWaalsContact O-CB 3.28Å; M377-Q381 WeakPolarHBondContact O-CB 3.41Å; M377-Q381 VanDerWaalsContact O-CG 3.31Å; M377-Q381 WeakPolarHBondContact O-CG 3.22Å; M377-Q381 PolarHBondContact O-N 2.96Å
382	N	86.1	Confident	77.3	Confident	71 Å²	71	62.4 Å²	62.4	38%	0.38	33%	0.328	S	S	.	.	S	Bend	trans	-91.1	172	-175.1	-58.3	-34.2	0	0	0	112.7	L378 K414	L378-N382 WeakPolarHBondContact CD2-ND2 3.38Å; L378-N382 VanDerWaalsContact O-CB 3.3Å; L378-N382 WeakPolarHBondContact O-CB 3.48Å; L378-N382 PolarHBondContact O-N 2.87Å; L378-N382 VanDerWaalsContact O-N 3.09Å; L378-N382 PolarHBondContact O-ND2 3.13Å; N382-K414 WeakPolarHBondContact O-CE 3.37Å; N382-K414 PolarHBondContact O-NZ 3.39Å
383	D	90.3	Very high	78	Confident	141 Å²	141	62.6 Å²	62.6	75%	0.754	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-57.4	154	163.3	-74.9	-50.9	0	0	0	112.5
384	P	92.3	Very high	79.2	Confident	32 Å²	32	63.1 Å²	63.1	21%	0.208	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-55.5	141.2	175.6	-24	33.9	0	0	0	113	W351 L412 K414	W351-P384 HydrophobicContact CH2-CB 4.02Å; W351-P384 HydrophobicContact CZ3-CB 4.16Å; W351-P384 HydrophobicContact CZ3-CG 4.46Å; P384-L412 HydrophobicContact CB-CB 4.12Å; P384-L412 WeakPolarHBondContact CB-O 3.32Å; P384-L412 WeakPolarHBondContact CG-O 3.33Å; P384-K414 HydrophobicContact CG-CD 4.21Å; P384-K414 HydrophobicContact CG-CG 4.06Å
385	P	92.5	Very high	79.9	Confident	5 Å²	5	63.6 Å²	63.6	3%	0.032	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-68.3	145.8	-174.8	25.8	-32.1	0	0	0	112.5	I355 P366 M389 L412	I355-P385 HydrophobicContact CD1-CG 3.78Å; P366-P385 HydrophobicContact CB-CB 3.7Å; P366-P385 HydrophobicContact CB-CG 4.35Å; P366-P385 HydrophobicContact CG-CB 3.71Å; P366-P385 HydrophobicContact CG-CG 4.07Å; P385-M389 HydrophobicContact CB-CB 4.48Å; P385-M389 HydrophobicContact CB-CE 4.38Å; P385-M389 HydrophobicContact CB-SD 3.59Å; P385-M389 VanDerWaalsContact CB-SD 3.59Å; P385-L412 HydrophobicContact CG-CD1 4.2Å; P385-L412 VanDerWaalsContact O-CD1 3.24Å; P385-L412 WeakPolarHBondContact O-CD1 3.49Å
386	T	92.5	Very high	80.3	Confident	51 Å²	51	66.5 Å²	66.5	31%	0.313	34%	0.342	S	S	.	.			trans	-109	173.1	176.4	74.7	0	0	0	0	111.6	E388 M389	T386-E388 VanDerWaalsContact CB-OE2 3.27Å; T386-E388 WeakPolarHBondContact CB-OE2 3.26Å; T386-E388 PolarHBondContact O-N 3.28Å; T386-E388 PolarHBondContact OG1-OE2 3.37Å; T386-M389 VanDerWaalsContact O-CB 3.31Å; T386-M389 WeakPolarHBondContact O-CB 3.44Å; T386-M389 PolarHBondContact O-N 3.2Å
387	L	89.4	Confident	81.3	Confident	3 Å²	3	65.4 Å²	65.4	2%	0.016	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.8	-179.5	-177	58.6	0	0	0	113.6	I358 A361 T362 M389 L397 Y400 F404 R405 I408	I358-L387 HydrophobicContact CG2-CD1 4.3Å; A361-L387 HydrophobicContact CB-CD1 3.79Å; T362-L387 HydrophobicContact CG2-CD1 3.95Å; L387-M389 VanDerWaalsContact C-N 3.3Å; L387-L397 HydrophobicContact CD1-CD2 4.49Å; L387-L397 HydrophobicContact CG-CD2 4.29Å; L387-L397 WeakPolarHBondContact O-CD1 3.4Å; L387-Y400 HydrophobicContact CD2-CD2 3.84Å; L387-Y400 HydrophobicContact CD2-CG 3.88Å; L387-F404 HydrophobicContact CD1-CE1 4.16Å; L387-F404 HydrophobicContact CD2-CD1 3.86Å; L387-F404 HydrophobicContact CD2-CE1 3.97Å; L387-R405 HydrophobicContact CD2-CG 4.13Å; L387-I408 HydrophobicContact CB-CD1 4.18Å; L387-I408 HydrophobicContact CD1-CD1 4.17Å; L387-I408 HydrophobicContact CD2-CD1 4.33Å; L387-I408 HydrophobicContact CG-CD1 4.47Å
388	E	86.8	Confident	82.2	Confident	72 Å²	72	67.5 Å²	67.5	34%	0.336	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-17.2	174.1	-64.2	77	-170	0	0	114	T386 G390 V391 L397 R405	T386-E388 VanDerWaalsContact CB-OE2 3.27Å; T386-E388 WeakPolarHBondContact CB-OE2 3.26Å; T386-E388 PolarHBondContact O-N 3.28Å; T386-E388 PolarHBondContact OG1-OE2 3.37Å; E388-G390 PolarHBondContact O-N 3.41Å; E388-V391 PolarHBondContact O-N 2.88Å; E388-L397 HydrophobicContact CB-CD1 4.44Å; E388-L397 HydrophobicContact CG-CD1 4.33Å; E388-R405 IonicContact OE1-CZ 2.81Å; E388-R405 IonicContact OE1-NH1 2.82Å; E388-R405 PolarHBondContact OE1-NH1 3.2Å; E388-R405 IonicContact OE1-NH2 2.73Å; E388-R405 IonicContact OE2-NH1 3.05Å
389	M	82.5	Confident	82.7	Confident	65 Å²	65	70 Å²	70	32%	0.32	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	123.8	-167.1	-166.1	170.2	-69.2	0	0	111.4	P366 Y367 P385 T386 L387	P366-M389 HydrophobicContact CB-CB 4.15Å; P366-M389 HydrophobicContact CB-CG 4.15Å; P366-M389 HydrophobicContact CB-SD 4.41Å; Y367-M389 HydrophobicContact CD1-SD 4.31Å; Y367-M389 HydrophobicContact CE1-CG 4.24Å; Y367-M389 HydrophobicContact CE1-SD 3.34Å; Y367-M389 WeakPolarHBondContact CE1-SD 3.43Å; Y367-M389 PolarHBondContact OH-SD 3.16Å; Y367-M389 VanDerWaalsContact OH-SD 3.39Å; P385-M389 HydrophobicContact CB-CB 4.48Å; P385-M389 HydrophobicContact CB-CE 4.38Å; P385-M389 HydrophobicContact CB-SD 3.59Å; P385-M389 VanDerWaalsContact CB-SD 3.59Å; T386-M389 VanDerWaalsContact O-CB 3.31Å; T386-M389 WeakPolarHBondContact O-CB 3.44Å; T386-M389 PolarHBondContact O-N 3.2Å; L387-M389 VanDerWaalsContact C-N 3.3Å
390	G	70.1	Confident	83.3	Confident	31 Å²	31	70 Å²	70	32%	0.32	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	-5.6	-176.1	0	0	0	0	0	115	R369 E388	R369-G390 PolarHBondContact NH2-O 2.93Å; E388-G390 PolarHBondContact O-N 3.41Å
391	V	78.6	Confident	84.3	Confident	32 Å²	32	68.5 Å²	68.5	19%	0.194	35%	0.35	C	S	.	.			trans	-99.6	127	-177.9	-172.6	0	0	0	0	110.9	T362 E388 D393 L397	T362-V391 HydrophobicContact CG2-CG2 3.52Å; E388-V391 PolarHBondContact O-N 2.88Å; V391-D393 VanDerWaalsContact CG1-O 3.27Å; V391-D393 WeakPolarHBondContact CG1-O 3.43Å; V391-L397 HydrophobicContact CB-CD1 4.06Å; V391-L397 HydrophobicContact CG1-CD1 4.07Å; V391-L397 HydrophobicContact CG1-CD2 4.37Å; V391-L397 HydrophobicContact CG1-CG 4.18Å; V391-L397 HydrophobicContact CG2-CD1 4.15Å; V391-L397 HydrophobicContact CG2-CD2 4.38Å
392	E	73.3	Confident	85.1	Confident	151 Å²	151	71.3 Å²	71.3	71%	0.706	36%	0.36	S	S	*	.	S	Bend	trans	-78.9	-52.4	178	-72.5	159.9	-158.1	0	0	111.7	R369	R369-E392 IonicContact CZ-OE1 3.97Å; R369-E392 IonicContact NH1-OE1 2.61Å; R369-E392 PolarHBondContact NH1-OE1 2.82Å; R369-E392 IonicContact NH2-OE1 3.9Å; R369-E392 PolarHBondContact NH2-OE1 3.46Å
393	D	77.6	Confident	85.6	Confident	80 Å²	80	69.6 Å²	69.6	43%	0.428	35%	0.353	S	S	.	.			trans	-90.1	107.5	179	-177.6	3.1	0	0	0	111.5	V391 E395 I396	V391-D393 VanDerWaalsContact CG1-O 3.27Å; V391-D393 WeakPolarHBondContact CG1-O 3.43Å; D393-E395 VanDerWaalsContact C-N 3.33Å; D393-E395 VanDerWaalsContact OD1-CB 3.25Å; D393-E395 WeakPolarHBondContact OD1-CB 3.23Å; D393-E395 PolarHBondContact OD1-N 3.13Å; D393-I396 HydrophobicContact CB-CD1 3.95Å; D393-I396 HydrophobicContact CB-CG1 4.22Å
394	K	79.9	Confident	85.9	Confident	135 Å²	135	62.9 Å²	62.9	59%	0.587	32%	0.317	S	S	*	.	S	Bend	trans	-78.6	-13	179.7	-65	-179.5	-179	176.5	0	113.6	I396 L397	K394-I396 VanDerWaalsContact C-N 3.34Å; K394-L397 PolarHBondContact O-N 3.3Å
395	E	78.8	Confident	86.1	Confident	113 Å²	113	64.3 Å²	64.3	53%	0.528	32%	0.319	S	S	.	.	S	Bend	trans	-65.1	-40.5	176.3	-65	-62.3	122	0	0	111	D393 L397 K398	D393-E395 VanDerWaalsContact C-N 3.33Å; D393-E395 VanDerWaalsContact OD1-CB 3.25Å; D393-E395 WeakPolarHBondContact OD1-CB 3.23Å; D393-E395 PolarHBondContact OD1-N 3.13Å; E395-L397 PolarHBondContact O-N 3.36Å; E395-K398 VanDerWaalsContact CD-CE 3.49Å; E395-K398 WeakPolarHBondContact O-CB 3.3Å; E395-K398 PolarHBondContact O-N 3.01Å; E395-K398 WeakPolarHBondContact OE1-CE 3.29Å; E395-K398 IonicContact OE1-NZ 2.69Å; E395-K398 PolarHBondContact OE1-NZ 3.41Å; E395-K398 WeakPolarHBondContact OE2-CD 3.43Å; E395-K398 VanDerWaalsContact OE2-CE 3.25Å; E395-K398 WeakPolarHBondContact OE2-CE 3.37Å; E395-K398 IonicContact OE2-NZ 3.83Å; E395-K398 PolarHBondContact OE2-NZ 2.93Å
396	I	78.1	Confident	86.3	Confident	62 Å²	62	70.2 Å²	70.2	32%	0.318	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-52.7	-33	174.8	-56.8	175.8	0	0	0	111.2	A257 D393 K394 K398	A257-I396 HydrophobicContact CB-CG2 3.81Å; D393-I396 HydrophobicContact CB-CD1 3.95Å; D393-I396 HydrophobicContact CB-CG1 4.22Å; K394-I396 VanDerWaalsContact C-N 3.34Å; I396-K398 PolarHBondContact O-N 2.91Å
397	L	84.6	Confident	86.6	Confident	3 Å²	3	68 Å²	68	2%	0.016	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-83.2	-7.2	-176.9	-54.4	-177.7	0	0	0	114.4	T362 L387 E388 V391 K394 E395 K399 Y400 R405	T362-L397 HydrophobicContact CG2-CD2 4.34Å; L387-L397 HydrophobicContact CD1-CD2 4.49Å; L387-L397 HydrophobicContact CG-CD2 4.29Å; L387-L397 WeakPolarHBondContact O-CD1 3.4Å; E388-L397 HydrophobicContact CB-CD1 4.44Å; E388-L397 HydrophobicContact CG-CD1 4.33Å; V391-L397 HydrophobicContact CB-CD1 4.06Å; V391-L397 HydrophobicContact CG1-CD1 4.07Å; V391-L397 HydrophobicContact CG1-CD2 4.37Å; V391-L397 HydrophobicContact CG1-CG 4.18Å; V391-L397 HydrophobicContact CG2-CD1 4.15Å; V391-L397 HydrophobicContact CG2-CD2 4.38Å; K394-L397 PolarHBondContact O-N 3.3Å; E395-L397 PolarHBondContact O-N 3.36Å; L397-K399 PolarHBondContact O-N 2.89Å; L397-Y400 HydrophobicContact CD2-CD2 4.04Å; L397-Y400 HydrophobicContact CD2-CE2 4.08Å; L397-Y400 PolarHBondContact O-N 2.77Å; L397-R405 PolarHBondContact O-NH2 3.01Å
398	K	84.8	Confident	86.9	Confident	143 Å²	143	68 Å²	68	62%	0.622	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-66.4	-25.3	177.6	-70.6	-177	178.6	169.8	0	112.9	E395 I396 Y400	E395-K398 VanDerWaalsContact CD-CE 3.49Å; E395-K398 WeakPolarHBondContact O-CB 3.3Å; E395-K398 PolarHBondContact O-N 3.01Å; E395-K398 WeakPolarHBondContact OE1-CE 3.29Å; E395-K398 IonicContact OE1-NZ 2.69Å; E395-K398 PolarHBondContact OE1-NZ 3.41Å; E395-K398 WeakPolarHBondContact OE2-CD 3.43Å; E395-K398 VanDerWaalsContact OE2-CE 3.25Å; E395-K398 WeakPolarHBondContact OE2-CE 3.37Å; E395-K398 IonicContact OE2-NZ 3.83Å; E395-K398 PolarHBondContact OE2-NZ 2.93Å; I396-K398 PolarHBondContact O-N 2.91Å; K398-Y400 PolarHBondContact O-N 3.45Å
399	K	87	Confident	87.4	Confident	84 Å²	84	67.3 Å²	67.3	37%	0.365	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-69.8	-14.3	176.4	78.1	179	-176	171.2	0	114.2	A257 D259 L397	A257-K399 PolarHBondContact O-NZ 2.9Å; D259-K399 WeakPolarHBondContact OD1-CE 3.27Å; D259-K399 IonicContact OD1-NZ 2.87Å; D259-K399 PolarHBondContact OD1-NZ 2.95Å; L397-K399 PolarHBondContact O-N 2.89Å
400	Y	92.6	Very high	88.1	Confident	5 Å²	5	65.9 Å²	65.9	2%	0.02	33%	0.326	C	S	.	.	S	Bend	trans	-91.7	115.9	-178.8	-64.6	-57.4	0	0	0	112.4	A257 L258 E260 I263 A361 L387 L397 K398 F404 R405	A257-Y400 WeakPolarHBondContact CB-OH 3.49Å; L258-Y400 WeakPolarHBondContact O-CE1 3.24Å; L258-Y400 PolarHBondContact O-OH 3.47Å; E260-Y400 HydrophobicContact CG-CD1 3.84Å; E260-Y400 HydrophobicContact CG-CE1 4.36Å; I263-Y400 HydrophobicContact CD1-CE1 3.94Å; A361-Y400 WeakPolarHBondContact CA-OH 3.31Å; A361-Y400 HydrophobicContact CB-CD2 4.5Å; A361-Y400 HydrophobicContact CB-CE1 4.03Å; A361-Y400 HydrophobicContact CB-CE2 3.87Å; A361-Y400 PolarHBondContact O-OH 3.48Å; L387-Y400 HydrophobicContact CD2-CD2 3.84Å; L387-Y400 HydrophobicContact CD2-CG 3.88Å; L397-Y400 HydrophobicContact CD2-CD2 4.04Å; L397-Y400 HydrophobicContact CD2-CE2 4.08Å; L397-Y400 PolarHBondContact O-N 2.77Å; K398-Y400 PolarHBondContact O-N 3.45Å; Y400-F404 AromaticContact CD1-CD1 3.82Å; Y400-F404 HydrophobicContact CD1-CD1 3.82Å; Y400-F404 AromaticContact CD1-CE1 3.93Å; Y400-F404 HydrophobicContact CD1-CE1 3.93Å; Y400-F404 HydrophobicContact CE1-CE1 4.37Å; Y400-F404 HydrophobicContact CG-CD1 4.02Å; Y400-F404 HydrophobicContact CG-CE1 4.24Å; Y400-R405 PolarHBondContact O-NE 3.38Å
401	G	93.5	Very high	89.4	Confident	24 Å²	24	64.4 Å²	64.4	25%	0.247	31%	0.31	C	S	.	.			trans	-78	165.6	-172.5	0	0	0	0	0	114.6	E260 S403 F404 R405	E260-G401 PolarHBondContact OE1-N 2.88Å; G401-S403 PolarHBondContact O-N 3.28Å; G401-F404 PolarHBondContact O-N 2.84Å; G401-R405 PolarHBondContact O-N 2.8Å
402	K	95.3	Very high	90.3	Very high	194 Å²	194	63 Å²	63	84%	0.843	30%	0.302	S	S	*	.	H	α-helix	trans	-53.4	-30.2	177	-66	-176.9	179.1	-179.8	0	113	K406	K402-K406 WeakPolarHBondContact O-CB 3.4Å; K402-K406 PolarHBondContact O-N 3.01Å
403	S	97.1	Very high	91.4	Very high	35 Å²	35	59 Å²	59	25%	0.245	28%	0.283	C	S	.	.	H	α-helix	trans	-62.9	-41.9	175.7	53.2	0	0	0	0	113.7	G401 L407 K433	G401-S403 PolarHBondContact O-N 3.28Å; S403-L407 PolarHBondContact O-N 2.81Å; S403-L407 VanDerWaalsContact O-N 3.1Å; S403-K433 PolarHBondContact OG-NZ 2.95Å; S403-K433 VanDerWaalsContact OG-NZ 3.14Å
404	F	97.3	Very high	92	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-73.7	-43.4	-179.2	-176.1	-127.6	0	0	0	111	E260 I263 L267 A357 A361 L387 Y400 G401 K406 L407 I408 F430	E260-F404 WeakPolarHBondContact OE1-CB 3.32Å; I263-F404 HydrophobicContact CD1-CZ 4.24Å; I263-F404 HydrophobicContact CG2-CE2 3.74Å; I263-F404 HydrophobicContact CG2-CZ 3.99Å; L267-F404 HydrophobicContact CD1-CE2 4.33Å; A357-F404 HydrophobicContact CB-CE2 4.13Å; A357-F404 HydrophobicContact CB-CZ 4.28Å; A357-F404 WeakPolarHBondContact O-CZ 3.25Å; A361-F404 HydrophobicContact CB-CE1 3.66Å; A361-F404 HydrophobicContact CB-CZ 3.92Å; L387-F404 HydrophobicContact CD1-CE1 4.16Å; L387-F404 HydrophobicContact CD2-CD1 3.86Å; L387-F404 HydrophobicContact CD2-CE1 3.97Å; Y400-F404 AromaticContact CD1-CD1 3.82Å; Y400-F404 HydrophobicContact CD1-CD1 3.82Å; Y400-F404 AromaticContact CD1-CE1 3.93Å; Y400-F404 HydrophobicContact CD1-CE1 3.93Å; Y400-F404 HydrophobicContact CE1-CE1 4.37Å; Y400-F404 HydrophobicContact CG-CD1 4.02Å; Y400-F404 HydrophobicContact CG-CE1 4.24Å; G401-F404 PolarHBondContact O-N 2.84Å; F404-K406 VanDerWaalsContact C-N 3.25Å; F404-K406 PolarHBondContact O-N 3.47Å; F404-L407 WeakPolarHBondContact O-CA 3.48Å; F404-L407 VanDerWaalsContact O-CB 3.28Å; F404-L407 WeakPolarHBondContact O-CB 3.41Å; F404-L407 PolarHBondContact O-N 3.33Å; F404-I408 HydrophobicContact CD1-CD1 3.85Å; F404-I408 HydrophobicContact CD2-CD1 4.44Å; F404-I408 HydrophobicContact CE1-CD1 3.61Å; F404-I408 HydrophobicContact CE2-CD1 4.23Å; F404-I408 HydrophobicContact CG-CD1 4.29Å; F404-I408 HydrophobicContact CZ-CD1 3.83Å; F404-I408 PolarHBondContact O-N 2.84Å; F404-F430 HydrophobicContact CB-CD2 3.58Å; F404-F430 HydrophobicContact CB-CE2 3.59Å; F404-F430 HydrophobicContact CB-CG 4.39Å; F404-F430 HydrophobicContact CB-CZ 4.39Å; F404-F430 AromaticContact CD2-CD1 3.99Å; F404-F430 HydrophobicContact CD2-CD1 3.99Å; F404-F430 AromaticContact CD2-CD2 3.78Å; F404-F430 HydrophobicContact CD2-CD2 3.78Å; F404-F430 AromaticContact CD2-CE1 3.59Å; F404-F430 HydrophobicContact CD2-CE1 3.59Å; F404-F430 AromaticContact CD2-CE2 3.37Å; F404-F430 HydrophobicContact CD2-CE2 3.37Å; F404-F430 HydrophobicContact CD2-CG 4.07Å; F404-F430 AromaticContact CD2-CZ 3.27Å; F404-F430 HydrophobicContact CD2-CZ 3.27Å; F404-F430 AromaticContact CE2-CE1 3.89Å; F404-F430 HydrophobicContact CE2-CE1 3.89Å; F404-F430 HydrophobicContact CE2-CE2 4.22Å; F404-F430 AromaticContact CE2-CZ 3.68Å; F404-F430 HydrophobicContact CE2-CZ 3.68Å; F404-F430 HydrophobicContact CG-CD2 4.1Å; F404-F430 AromaticContact CG-CE2 3.71Å; F404-F430 HydrophobicContact CG-CE2 3.71Å; F404-F430 HydrophobicContact CG-CZ 4.04Å
405	R	96.3	Very high	92.5	Very high	63 Å²	63	54.5 Å²	54.5	24%	0.238	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-35.5	174.9	-64.3	160.7	174.3	-77.6	2.5	111.6	L387 E388 L397 Y400 G401 T409	L387-R405 HydrophobicContact CD2-CG 4.13Å; E388-R405 IonicContact OE1-CZ 2.81Å; E388-R405 IonicContact OE1-NH1 2.82Å; E388-R405 PolarHBondContact OE1-NH1 3.2Å; E388-R405 IonicContact OE1-NH2 2.73Å; E388-R405 IonicContact OE2-NH1 3.05Å; L397-R405 PolarHBondContact O-NH2 3.01Å; Y400-R405 PolarHBondContact O-NE 3.38Å; G401-R405 PolarHBondContact O-N 2.8Å; R405-T409 WeakPolarHBondContact O-CB 3.3Å; R405-T409 WeakPolarHBondContact O-CG2 3.49Å; R405-T409 PolarHBondContact O-N 3.45Å; R405-T409 VanDerWaalsContact O-N 3.09Å; R405-T409 PolarHBondContact O-OG1 2.99Å
406	K	96.7	Very high	93.1	Very high	129 Å²	129	50.6 Å²	50.6	56%	0.561	25%	0.247	S	C	*	.	H	α-helix	trans	-72.1	-32.7	171.9	-175.3	54	-177.1	148.6	0	113.2	K402 F404 T409 T410	K402-K406 WeakPolarHBondContact O-CB 3.4Å; K402-K406 PolarHBondContact O-N 3.01Å; F404-K406 VanDerWaalsContact C-N 3.25Å; F404-K406 PolarHBondContact O-N 3.47Å; K406-T409 WeakPolarHBondContact CA-OG1 3.32Å; K406-T409 PolarHBondContact O-OG1 3.04Å; K406-T410 WeakPolarHBondContact CD-OG1 3.36Å; K406-T410 VanDerWaalsContact CE-OG1 3.25Å; K406-T410 WeakPolarHBondContact CE-OG1 3.39Å; K406-T410 PolarHBondContact NZ-OG1 3.16Å; K406-T410 VanDerWaalsContact O-CB 3.29Å; K406-T410 WeakPolarHBondContact O-CB 3.31Å; K406-T410 PolarHBondContact O-N 3.11Å; K406-T410 PolarHBondContact O-OG1 3.28Å
407	L	97.8	Very high	93.7	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.026	26%	0.264	C	S	.	.	H	α-helix	trans	-60.2	-58.1	171.1	-169.5	83.4	0	0	0	109.9	L267 F353 S403 F404 T409 T410 C411 L425 C428 F430	L267-L407 HydrophobicContact CD1-CD2 4.24Å; F353-L407 HydrophobicContact CE1-CD2 4.23Å; F353-L407 HydrophobicContact CZ-CD2 4.43Å; S403-L407 PolarHBondContact O-N 2.81Å; S403-L407 VanDerWaalsContact O-N 3.1Å; F404-L407 WeakPolarHBondContact O-CA 3.48Å; F404-L407 VanDerWaalsContact O-CB 3.28Å; F404-L407 WeakPolarHBondContact O-CB 3.41Å; F404-L407 PolarHBondContact O-N 3.33Å; L407-T409 PolarHBondContact O-N 2.96Å; L407-T410 PolarHBondContact O-N 3.43Å; L407-C411 PolarHBondContact O-N 3.02Å; L407-C411 PolarHBondContact O-SG 2.94Å; L407-C411 VanDerWaalsContact O-SG 3.37Å; L407-L425 HydrophobicContact CD1-CD2 3.75Å; L407-C428 HydrophobicContact CD1-CB 3.94Å; L407-F430 HydrophobicContact CD2-CD1 3.8Å; L407-F430 HydrophobicContact CD2-CE1 4.37Å; L407-F430 HydrophobicContact CD2-CG 4.47Å
408	I	97.6	Very high	94.3	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.015	29%	0.29	C	S	.	.	H	α-helix	trans	-52.5	-53.8	-178.9	-67.6	165.7	0	0	0	111.4	A357 I358 L387 F404 T410 C411 L412	A357-I408 HydrophobicContact CB-CG1 4.09Å; I358-I408 HydrophobicContact CD1-CG2 3.87Å; I358-I408 HydrophobicContact CG1-CD1 4Å; I358-I408 HydrophobicContact CG1-CG1 4.36Å; I358-I408 HydrophobicContact CG1-CG2 3.92Å; L387-I408 HydrophobicContact CB-CD1 4.18Å; L387-I408 HydrophobicContact CD1-CD1 4.17Å; L387-I408 HydrophobicContact CD2-CD1 4.33Å; L387-I408 HydrophobicContact CG-CD1 4.47Å; F404-I408 HydrophobicContact CD1-CD1 3.85Å; F404-I408 HydrophobicContact CD2-CD1 4.44Å; F404-I408 HydrophobicContact CE1-CD1 3.61Å; F404-I408 HydrophobicContact CE2-CD1 4.23Å; F404-I408 HydrophobicContact CG-CD1 4.29Å; F404-I408 HydrophobicContact CZ-CD1 3.83Å; F404-I408 PolarHBondContact O-N 2.84Å; I408-T410 PolarHBondContact O-N 3.43Å; I408-C411 PolarHBondContact O-N 3.37Å; I408-L412 HydrophobicContact CG2-CD1 3.65Å; I408-L412 HydrophobicContact CG2-CG 4.42Å; I408-L412 WeakPolarHBondContact O-CB 3.5Å; I408-L412 WeakPolarHBondContact O-CG 3.14Å; I408-L412 PolarHBondContact O-N 2.93Å
409	T	96.8	Very high	94.9	Very high	57 Å²	57	50.8 Å²	50.8	35%	0.35	26%	0.26	S	S	.	.	H	α-helix	trans	-67	-18.2	-179	49.7	0	0	0	0	114.5	R405 K406 L407 Q413	R405-T409 WeakPolarHBondContact O-CB 3.3Å; R405-T409 WeakPolarHBondContact O-CG2 3.49Å; R405-T409 PolarHBondContact O-N 3.45Å; R405-T409 VanDerWaalsContact O-N 3.09Å; R405-T409 PolarHBondContact O-OG1 2.99Å; K406-T409 WeakPolarHBondContact CA-OG1 3.32Å; K406-T409 PolarHBondContact O-OG1 3.04Å; L407-T409 PolarHBondContact O-N 2.96Å; T409-Q413 PolarHBondContact O-NE2 3.32Å
410	T	96.9	Very high	95.4	Very high	34 Å²	34	47.8 Å²	47.8	21%	0.209	25%	0.249	C	C	.	.	H	α-helix	trans	-88.6	-28.5	176	-50.8	0	0	0	0	111.6	K406 L407 I408 P420	K406-T410 WeakPolarHBondContact CD-OG1 3.36Å; K406-T410 VanDerWaalsContact CE-OG1 3.25Å; K406-T410 WeakPolarHBondContact CE-OG1 3.39Å; K406-T410 PolarHBondContact NZ-OG1 3.16Å; K406-T410 VanDerWaalsContact O-CB 3.29Å; K406-T410 WeakPolarHBondContact O-CB 3.31Å; K406-T410 PolarHBondContact O-N 3.11Å; K406-T410 PolarHBondContact O-OG1 3.28Å; L407-T410 PolarHBondContact O-N 3.43Å; I408-T410 PolarHBondContact O-N 3.43Å; T410-P420 HydrophobicContact CG2-CG 4.01Å; T410-P420 VanDerWaalsContact O-CD 3.27Å; T410-P420 WeakPolarHBondContact O-CD 3.26Å
411	C	97.7	Very high	95.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-74.2	-42.7	169.3	-61	0	0	0	0	112.2	I350 L407 I408 Q413 R419	I350-C411 HydrophobicContact CG2-CB 4.23Å; I350-C411 WeakPolarHBondContact O-CB 3.46Å; L407-C411 PolarHBondContact O-N 3.02Å; L407-C411 PolarHBondContact O-SG 2.94Å; L407-C411 VanDerWaalsContact O-SG 3.37Å; I408-C411 PolarHBondContact O-N 3.37Å; C411-Q413 VanDerWaalsContact C-N 3.34Å; C411-Q413 PolarHBondContact O-N 3.41Å; C411-Q413 VanDerWaalsContact O-N 3.08Å; C411-R419 WeakPolarHBondContact O-CD 3.49Å; C411-R419 WeakPolarHBondContact O-CG 3.45Å
412	L	97.2	Very high	95.9	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.016	25%	0.249	C	C	.	.			trans	-88.2	69.8	-174.9	-60.2	178.6	0	0	0	111.5	W351 I355 I358 P384 P385 I408	W351-L412 HydrophobicContact CD2-CD2 3.59Å; W351-L412 HydrophobicContact CE3-CB 4.31Å; W351-L412 HydrophobicContact CE3-CD2 3.84Å; W351-L412 HydrophobicContact CG-CD2 3.94Å; W351-L412 HydrophobicContact CH2-CD2 4.47Å; W351-L412 HydrophobicContact CZ2-CD2 4.27Å; W351-L412 HydrophobicContact CZ3-CB 4.17Å; W351-L412 HydrophobicContact CZ3-CD2 4.27Å; W351-L412 WeakPolarHBondContact O-CD2 3.49Å; I355-L412 HydrophobicContact CD1-CD1 4.06Å; I355-L412 HydrophobicContact CD1-CD2 3.75Å; I355-L412 HydrophobicContact CG1-CD2 3.98Å; I358-L412 HydrophobicContact CD1-CD1 3.83Å; P384-L412 HydrophobicContact CB-CB 4.12Å; P384-L412 WeakPolarHBondContact CB-O 3.32Å; P384-L412 WeakPolarHBondContact CG-O 3.33Å; P385-L412 HydrophobicContact CG-CD1 4.2Å; P385-L412 VanDerWaalsContact O-CD1 3.24Å; P385-L412 WeakPolarHBondContact O-CD1 3.49Å; I408-L412 HydrophobicContact CG2-CD1 3.65Å; I408-L412 HydrophobicContact CG2-CG 4.42Å; I408-L412 WeakPolarHBondContact O-CB 3.5Å; I408-L412 WeakPolarHBondContact O-CG 3.14Å; I408-L412 PolarHBondContact O-N 2.93Å
413	Q	95.9	Very high	96	Very high	66 Å²	66	40.7 Å²	40.7	31%	0.308	22%	0.222	S	C	.	.			trans	-109.1	134.1	169.8	-66.4	-66.7	-56.8	0	0	109.2	T409 C411 D415 K418 R419	T409-Q413 PolarHBondContact O-NE2 3.32Å; C411-Q413 VanDerWaalsContact C-N 3.34Å; C411-Q413 PolarHBondContact O-N 3.41Å; C411-Q413 VanDerWaalsContact O-N 3.08Å; Q413-D415 VanDerWaalsContact C-N 3.33Å; Q413-D415 PolarHBondContact O-N 2.87Å; Q413-K418 HydrophobicContact CB-CB 4.11Å; Q413-K418 HydrophobicContact CG-CB 4.15Å; Q413-R419 HydrophobicContact CB-CG 4.03Å; Q413-R419 PolarHBondContact O-NE 2.85Å; Q413-R419 PolarHBondContact O-NH2 2.61Å; Q413-R419 VanDerWaalsContact O-NH2 3.07Å
414	K	89.7	Confident	96	Very high	61 Å²	61	43.8 Å²	43.8	27%	0.265	23%	0.232	S	C	.	.	S	Bend	trans	-57.1	-50.9	176.4	-65.4	-56.5	-171.5	90.2	0	110.5	P335 W351 T379 L380 N382 P384 P416 R419	P335-K414 HydrophobicContact CB-CD 4.25Å; P335-K414 HydrophobicContact CG-CD 3.54Å; W351-K414 HydrophobicContact CH2-CD 4.18Å; W351-K414 HydrophobicContact CZ3-CD 4.32Å; T379-K414 WeakPolarHBondContact O-CE 3.37Å; T379-K414 PolarHBondContact O-NZ 2.72Å; L380-K414 PolarHBondContact O-NZ 2.58Å; N382-K414 WeakPolarHBondContact O-CE 3.37Å; N382-K414 PolarHBondContact O-NZ 3.39Å; P384-K414 HydrophobicContact CG-CD 4.21Å; P384-K414 HydrophobicContact CG-CG 4.06Å; K414-P416 WeakPolarHBondContact O-CD 3.33Å; K414-R419 PolarHBondContact O-NH2 3.35Å
415	D	90.8	Very high	96	Very high	60 Å²	60	43.8 Å²	43.8	32%	0.321	23%	0.232	S	C	.	.	S	Bend	trans	-65	115.6	173.7	179.9	-13.3	0	0	0	111.8	Q413 A417 K418	Q413-D415 VanDerWaalsContact C-N 3.33Å; Q413-D415 PolarHBondContact O-N 2.87Å; D415-A417 VanDerWaalsContact C-N 3.29Å; D415-A417 PolarHBondContact O-N 2.85Å; D415-A417 VanDerWaalsContact OD1-CB 3.26Å; D415-A417 WeakPolarHBondContact OD1-CB 3.39Å; D415-A417 PolarHBondContact OD1-N 3.4Å; D415-K418 HydrophobicContact CB-CB 4.37Å; D415-K418 HydrophobicContact CB-CD 4.07Å; D415-K418 HydrophobicContact CB-CG 4.12Å; D415-K418 PolarHBondContact O-N 3.3Å; D415-K418 WeakPolarHBondContact OD2-CE 3.34Å; D415-K418 WeakPolarHBondContact OD2-CG 3.42Å; D415-K418 IonicContact OD2-NZ 3.83Å; D415-K418 PolarHBondContact OD2-NZ 2.74Å
416	P	90.9	Very high	96.1	Very high	32 Å²	32	42.5 Å²	42.5	21%	0.208	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-67.2	-25.1	179.7	-19	32.5	0	0	0	113.9	E336 K347 K414 K418 R419	E336-P416 HydrophobicContact CB-CG 4.16Å; E336-P416 HydrophobicContact CG-CG 3.82Å; K347-P416 HydrophobicContact CB-CB 3.87Å; K347-P416 HydrophobicContact CG-CB 4.38Å; K347-P416 WeakPolarHBondContact CG-O 3.45Å; K347-P416 PolarHBondContact NZ-O 3.15Å; K414-P416 WeakPolarHBondContact O-CD 3.33Å; P416-K418 VanDerWaalsContact C-N 3.3Å; P416-K418 PolarHBondContact O-N 3.47Å; P416-R419 PolarHBondContact O-N 3.4Å
417	A	92	Very high	96.1	Very high	80 Å²	80	43.8 Å²	43.8	66%	0.661	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-66.9	-34.8	178.2	0	0	0	0	0	111.2	K347 D415 R419	K347-A417 PolarHBondContact NZ-O 3.39Å; D415-A417 VanDerWaalsContact C-N 3.29Å; D415-A417 PolarHBondContact O-N 2.85Å; D415-A417 VanDerWaalsContact OD1-CB 3.26Å; D415-A417 WeakPolarHBondContact OD1-CB 3.39Å; D415-A417 PolarHBondContact OD1-N 3.4Å; A417-R419 VanDerWaalsContact C-N 3.29Å; A417-R419 PolarHBondContact O-N 3.12Å
418	K	96.3	Very high	95.9	Very high	129 Å²	129	45.6 Å²	45.6	56%	0.561	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-73.3	-13.6	177.1	-66.5	-176.5	-178.3	99.7	0	114.4	Q413 D415 P416	Q413-K418 HydrophobicContact CB-CB 4.11Å; Q413-K418 HydrophobicContact CG-CB 4.15Å; D415-K418 HydrophobicContact CB-CB 4.37Å; D415-K418 HydrophobicContact CB-CD 4.07Å; D415-K418 HydrophobicContact CB-CG 4.12Å; D415-K418 PolarHBondContact O-N 3.3Å; D415-K418 WeakPolarHBondContact OD2-CE 3.34Å; D415-K418 WeakPolarHBondContact OD2-CG 3.42Å; D415-K418 IonicContact OD2-NZ 3.83Å; D415-K418 PolarHBondContact OD2-NZ 2.74Å; P416-K418 VanDerWaalsContact C-N 3.3Å; P416-K418 PolarHBondContact O-N 3.47Å
419	R	97.3	Very high	95.9	Very high	3 Å²	3	53.4 Å²	53.4	1%	0.011	28%	0.282	C	S	.	.	S	Bend	trans	-76.8	133.2	175.6	-57.4	-177.5	-157.7	144	11.5	109.8	E336 K347 I350 C411 Q413 K414 P416 A417	E336-R419 IonicContact OE1-CZ 3.3Å; E336-R419 IonicContact OE1-NH1 2.82Å; E336-R419 PolarHBondContact OE1-NH1 3.31Å; E336-R419 IonicContact OE1-NH2 3.16Å; E336-R419 IonicContact OE2-CZ 2.74Å; E336-R419 IonicContact OE2-NH1 3.82Å; E336-R419 PolarHBondContact OE2-NH1 3.14Å; E336-R419 IonicContact OE2-NH2 3.49Å; E336-R419 PolarHBondContact OE2-NH2 3.04Å; K347-R419 HydrophobicContact CD-CB 4.33Å; K347-R419 WeakPolarHBondContact CE-O 3.47Å; K347-R419 PolarHBondContact NZ-O 3.5Å; K347-R419 WeakPolarHBondContact O-CD 3.33Å; K347-R419 PolarHBondContact O-NH1 3.45Å; I350-R419 HydrophobicContact CB-CB 4.47Å; I350-R419 HydrophobicContact CG2-CB 4.09Å; C411-R419 WeakPolarHBondContact O-CD 3.49Å; C411-R419 WeakPolarHBondContact O-CG 3.45Å; Q413-R419 HydrophobicContact CB-CG 4.03Å; Q413-R419 PolarHBondContact O-NE 2.85Å; Q413-R419 PolarHBondContact O-NH2 2.61Å; Q413-R419 VanDerWaalsContact O-NH2 3.07Å; K414-R419 PolarHBondContact O-NH2 3.35Å; P416-R419 PolarHBondContact O-N 3.4Å; A417-R419 VanDerWaalsContact C-N 3.29Å; A417-R419 PolarHBondContact O-N 3.12Å
420	P	97.8	Very high	95.9	Very high	20 Å²	20	50.7 Å²	50.7	13%	0.13	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-69.1	164.5	175.1	30.5	-36.4	0	0	0	111.7	T410 E424 L425	T410-P420 HydrophobicContact CG2-CG 4.01Å; T410-P420 VanDerWaalsContact O-CD 3.27Å; T410-P420 WeakPolarHBondContact O-CD 3.26Å; P420-E424 HydrophobicContact CB-CB 3.98Å; P420-L425 HydrophobicContact CB-CD2 4.46Å; P420-L425 HydrophobicContact CB-CG 4.23Å; P420-L425 HydrophobicContact CG-CD1 4.09Å; P420-L425 HydrophobicContact CG-CD2 3.53Å; P420-L425 HydrophobicContact CG-CG 3.64Å
421	T	97.9	Very high	95.9	Very high	42 Å²	42	49.6 Å²	49.6	26%	0.258	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-75.3	164.2	167.1	61.9	0	0	0	0	111.7	F346 A423 E424 L425	F346-T421 HydrophobicContact CE2-CG2 4.23Å; T421-A423 PolarHBondContact O-N 3.02Å; T421-E424 WeakPolarHBondContact CB-OE2 3.5Å; T421-E424 WeakPolarHBondContact CG2-OE2 3.41Å; T421-E424 PolarHBondContact N-OE2 3.31Å; T421-E424 PolarHBondContact O-N 3.44Å; T421-E424 VanDerWaalsContact O-N 3.15Å; T421-E424 VanDerWaalsContact OG1-CD 3.29Å; T421-E424 VanDerWaalsContact OG1-CG 3.28Å; T421-E424 WeakPolarHBondContact OG1-CG 3.26Å; T421-E424 PolarHBondContact OG1-N 2.85Å; T421-E424 PolarHBondContact OG1-OE2 3.01Å; T421-L425 PolarHBondContact O-N 3.23Å
422	A	97.9	Very high	95.8	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-61	-42.6	174.1	0	0	0	0	0	112.3	L271 L274 D275 I350 E424 L425 L426	L271-A422 HydrophobicContact CD2-CB 4.04Å; L274-A422 HydrophobicContact CB-CB 4.25Å; D275-A422 HydrophobicContact CB-CB 3.7Å; I350-A422 HydrophobicContact CD1-CB 4.37Å; A422-E424 PolarHBondContact O-N 3.11Å; A422-L425 PolarHBondContact O-N 2.83Å; A422-L425 VanDerWaalsContact O-N 3.12Å; A422-L426 WeakPolarHBondContact O-CG 3.43Å; A422-L426 PolarHBondContact O-N 3.12Å
423	A	97.7	Very high	95.8	Very high	32 Å²	32	59.5 Å²	59.5	26%	0.264	30%	0.303	S	S	.	.	H	α-helix	trans	-56.5	-27.3	171.6	0	0	0	0	0	115.2	D275 T421 K427	D275-A423 WeakPolarHBondContact OD1-CB 3.37Å; D275-A423 PolarHBondContact OD1-N 3.28Å; T421-A423 PolarHBondContact O-N 3.02Å; A423-K427 WeakPolarHBondContact O-CD 3.28Å; A423-K427 WeakPolarHBondContact O-CE 3.26Å
424	E	97.8	Very high	95.8	Very high	100 Å²	100	57.5 Å²	57.5	47%	0.467	30%	0.298	S	S	.	.	H	α-helix	trans	-84.1	-38.2	174.6	-71.9	164.3	127.8	0	0	111.6	P420 T421 A422 L426 K427	P420-E424 HydrophobicContact CB-CB 3.98Å; T421-E424 WeakPolarHBondContact CB-OE2 3.5Å; T421-E424 WeakPolarHBondContact CG2-OE2 3.41Å; T421-E424 PolarHBondContact N-OE2 3.31Å; T421-E424 PolarHBondContact O-N 3.44Å; T421-E424 VanDerWaalsContact O-N 3.15Å; T421-E424 VanDerWaalsContact OG1-CD 3.29Å; T421-E424 VanDerWaalsContact OG1-CG 3.28Å; T421-E424 WeakPolarHBondContact OG1-CG 3.26Å; T421-E424 PolarHBondContact OG1-N 2.85Å; T421-E424 PolarHBondContact OG1-OE2 3.01Å; A422-E424 PolarHBondContact O-N 3.11Å; E424-L426 VanDerWaalsContact C-N 3.34Å; E424-L426 PolarHBondContact O-N 3.2Å; E424-K427 WeakPolarHBondContact O-CB 3.41Å; E424-K427 PolarHBondContact O-N 2.96Å; E424-K427 VanDerWaalsContact O-N 3.14Å
425	L	97.9	Very high	96.2	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.2	-36.1	175.8	-72.2	169.6	0	0	0	112.6	L271 I350 F353 L407 P420 T421 A422 K427 C428 I431	L271-L425 HydrophobicContact CD1-CB 3.65Å; L271-L425 HydrophobicContact CD2-CB 3.77Å; L271-L425 HydrophobicContact CD2-CD1 3.8Å; L271-L425 HydrophobicContact CD2-CG 4.45Å; L271-L425 HydrophobicContact CG-CB 4.37Å; I350-L425 HydrophobicContact CD1-CD1 4.17Å; I350-L425 HydrophobicContact CG2-CD1 3.87Å; F353-L425 HydrophobicContact CD1-CD1 4.25Å; F353-L425 HydrophobicContact CE1-CD1 4.13Å; L407-L425 HydrophobicContact CD1-CD2 3.75Å; P420-L425 HydrophobicContact CB-CD2 4.46Å; P420-L425 HydrophobicContact CB-CG 4.23Å; P420-L425 HydrophobicContact CG-CD1 4.09Å; P420-L425 HydrophobicContact CG-CD2 3.53Å; P420-L425 HydrophobicContact CG-CG 3.64Å; T421-L425 PolarHBondContact O-N 3.23Å; A422-L425 PolarHBondContact O-N 2.83Å; A422-L425 VanDerWaalsContact O-N 3.12Å; L425-K427 PolarHBondContact O-N 2.88Å; L425-K427 VanDerWaalsContact O-N 3.11Å; L425-C428 VanDerWaalsContact O-CB 3.26Å; L425-C428 WeakPolarHBondContact O-CB 3.43Å; L425-C428 PolarHBondContact O-N 3.48Å; L425-I431 WeakPolarHBondContact O-CG1 3.42Å
426	L	97.5	Very high	96.4	Very high	35 Å²	35	61.4 Å²	61.4	18%	0.183	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-26.8	173.4	-76.5	169.3	0	0	0	113	K268 L271 E272 A422 E424	K268-L426 HydrophobicContact CG-CD2 3.93Å; L271-L426 HydrophobicContact CB-CD1 4.48Å; L271-L426 HydrophobicContact CB-CD2 3.58Å; L271-L426 HydrophobicContact CB-CG 3.78Å; L271-L426 HydrophobicContact CD1-CD2 4.24Å; L271-L426 HydrophobicContact CD1-CG 4.37Å; E272-L426 HydrophobicContact CG-CD2 4.2Å; E272-L426 WeakPolarHBondContact OE2-CD1 3.42Å; A422-L426 WeakPolarHBondContact O-CG 3.43Å; A422-L426 PolarHBondContact O-N 3.12Å; E424-L426 VanDerWaalsContact C-N 3.34Å; E424-L426 PolarHBondContact O-N 3.2Å
427	K	96.1	Very high	96.5	Very high	157 Å²	157	64.4 Å²	64.4	68%	0.683	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-4.6	-179.9	-59	165.1	-171.6	162.4	0	113.1	A423 E424 L425	A423-K427 WeakPolarHBondContact O-CD 3.28Å; A423-K427 WeakPolarHBondContact O-CE 3.26Å; E424-K427 WeakPolarHBondContact O-CB 3.41Å; E424-K427 PolarHBondContact O-N 2.96Å; E424-K427 VanDerWaalsContact O-N 3.14Å; L425-K427 PolarHBondContact O-N 2.88Å; L425-K427 VanDerWaalsContact O-N 3.11Å
428	C	95	Very high	96.6	Very high	43 Å²	43	66.4 Å²	66.4	29%	0.291	32%	0.319	S	S	.	.	S	Bend	trans	-71.3	144.2	-176.6	-73.7	0	0	0	0	113.1	L407 L425 F430 I431	L407-C428 HydrophobicContact CD1-CB 3.94Å; L425-C428 VanDerWaalsContact O-CB 3.26Å; L425-C428 WeakPolarHBondContact O-CB 3.43Å; L425-C428 PolarHBondContact O-N 3.48Å; C428-F430 PolarHBondContact O-N 2.96Å; C428-I431 PolarHBondContact O-N 2.82Å
429	K	95.7	Very high	96.4	Very high	166 Å²	166	62.8 Å²	62.8	72%	0.722	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-15.7	179.8	-64.1	-170.8	178.6	-173.1	0	115.5
430	F	97.9	Very high	96.2	Very high	1 Å²	1	62.7 Å²	62.7	0%	0.004	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-41.8	172.6	-179.4	-101.2	0	0	0	112.5	E260 I263 A264 L267 F404 L407 C428 Q432 K433	E260-F430 HydrophobicContact CB-CE2 3.86Å; E260-F430 HydrophobicContact CB-CZ 4.37Å; E260-F430 HydrophobicContact CG-CE2 3.88Å; I263-F430 HydrophobicContact CB-CZ 4.16Å; I263-F430 HydrophobicContact CG2-CE1 4.1Å; I263-F430 HydrophobicContact CG2-CZ 3.94Å; A264-F430 HydrophobicContact CB-CD1 4.13Å; A264-F430 HydrophobicContact CB-CE1 3.65Å; A264-F430 HydrophobicContact CB-CZ 3.88Å; A264-F430 WeakPolarHBondContact CB-O 3.37Å; L267-F430 HydrophobicContact CD1-CE1 4.34Å; F404-F430 HydrophobicContact CB-CD2 3.58Å; F404-F430 HydrophobicContact CB-CE2 3.59Å; F404-F430 HydrophobicContact CB-CG 4.39Å; F404-F430 HydrophobicContact CB-CZ 4.39Å; F404-F430 AromaticContact CD2-CD1 3.99Å; F404-F430 HydrophobicContact CD2-CD1 3.99Å; F404-F430 AromaticContact CD2-CD2 3.78Å; F404-F430 HydrophobicContact CD2-CD2 3.78Å; F404-F430 AromaticContact CD2-CE1 3.59Å; F404-F430 HydrophobicContact CD2-CE1 3.59Å; F404-F430 AromaticContact CD2-CE2 3.37Å; F404-F430 HydrophobicContact CD2-CE2 3.37Å; F404-F430 HydrophobicContact CD2-CG 4.07Å; F404-F430 AromaticContact CD2-CZ 3.27Å; F404-F430 HydrophobicContact CD2-CZ 3.27Å; F404-F430 AromaticContact CE2-CE1 3.89Å; F404-F430 HydrophobicContact CE2-CE1 3.89Å; F404-F430 HydrophobicContact CE2-CE2 4.22Å; F404-F430 AromaticContact CE2-CZ 3.68Å; F404-F430 HydrophobicContact CE2-CZ 3.68Å; F404-F430 HydrophobicContact CG-CD2 4.1Å; F404-F430 AromaticContact CG-CE2 3.71Å; F404-F430 HydrophobicContact CG-CE2 3.71Å; F404-F430 HydrophobicContact CG-CZ 4.04Å; L407-F430 HydrophobicContact CD2-CD1 3.8Å; L407-F430 HydrophobicContact CD2-CE1 4.37Å; L407-F430 HydrophobicContact CD2-CG 4.47Å; C428-F430 PolarHBondContact O-N 2.96Å; F430-Q432 PolarHBondContact O-N 2.77Å; F430-K433 HydrophobicContact CD2-CD 4.17Å; F430-K433 HydrophobicContact CE2-CD 4.34Å; F430-K433 VanDerWaalsContact O-CB 3.29Å; F430-K433 WeakPolarHBondContact O-CB 3.31Å; F430-K433 WeakPolarHBondContact O-CG 3.46Å; F430-K433 PolarHBondContact O-N 3.39Å
431	I	97.4	Very high	96	Very high	11 Å²	11	64.5 Å²	64.5	6%	0.056	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-64	-27	-179.1	-60.6	-57.3	0	0	0	111.4	L267 K268 L271 L425 C428 K433 A434	L267-I431 HydrophobicContact CB-CD1 4.43Å; K268-I431 HydrophobicContact CB-CG2 3.91Å; K268-I431 HydrophobicContact CD-CG2 4.39Å; K268-I431 HydrophobicContact CG-CG2 3.85Å; L271-I431 HydrophobicContact CD1-CD1 3.85Å; L271-I431 HydrophobicContact CD1-CG1 4.16Å; L425-I431 WeakPolarHBondContact O-CG1 3.42Å; C428-I431 PolarHBondContact O-N 2.82Å; I431-K433 PolarHBondContact O-N 3.03Å; I431-A434 WeakPolarHBondContact O-CB 3.31Å; I431-A434 PolarHBondContact O-N 3.19Å
432	Q	94.9	Very high	95.6	Very high	148 Å²	148	67.8 Å²	67.8	69%	0.692	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-60.3	-11.2	170.8	-63.3	176.4	-17.9	0	0	114.4	F430	F430-Q432 PolarHBondContact O-N 2.77Å
433	K	96.7	Very high	95.2	Very high	63 Å²	63	71.9 Å²	71.9	27%	0.274	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-84.3	-8.9	172.9	-61.3	-178.9	175.9	-178.5	0	113.5	E260 A264 S403 F430 I431	E260-K433 HydrophobicContact CB-CD 4.21Å; E260-K433 VanDerWaalsContact CD-NZ 3.27Å; E260-K433 IonicContact OE1-NZ 2.58Å; E260-K433 PolarHBondContact OE1-NZ 3.15Å; E260-K433 IonicContact OE2-NZ 3.72Å; E260-K433 PolarHBondContact OE2-NZ 3.16Å; A264-K433 HydrophobicContact CB-CB 3.88Å; S403-K433 PolarHBondContact OG-NZ 2.95Å; S403-K433 VanDerWaalsContact OG-NZ 3.14Å; F430-K433 HydrophobicContact CD2-CD 4.17Å; F430-K433 HydrophobicContact CE2-CD 4.34Å; F430-K433 VanDerWaalsContact O-CB 3.29Å; F430-K433 WeakPolarHBondContact O-CB 3.31Å; F430-K433 WeakPolarHBondContact O-CG 3.46Å; F430-K433 PolarHBondContact O-N 3.39Å; I431-K433 PolarHBondContact O-N 3.03Å
434	A	97	Very high	94.7	Very high	23 Å²	23	70.6 Å²	70.6	19%	0.19	33%	0.331	C	S	.	.			trans	-57.1	154.9	178.5	0	0	0	0	0	112.5	A264 T265 K268 I431	A264-A434 HydrophobicContact CB-CB 4.36Å; T265-A434 WeakPolarHBondContact OG1-CA 3.41Å; K268-A434 HydrophobicContact CB-CB 4.4Å; K268-A434 HydrophobicContact CD-CB 4.16Å; I431-A434 WeakPolarHBondContact O-CB 3.31Å; I431-A434 PolarHBondContact O-N 3.19Å
435	K	97.2	Very high	94.2	Very high	115 Å²	115	67.2 Å²	67.2	50%	0.5	32%	0.316	S	S	.	.			trans	-122.9	-172.6	178.2	-59.2	-61.4	174.4	-172.2	0	109.7	P261 T265 Y439	P261-K435 HydrophobicContact CB-CG 4.27Å; T265-K435 WeakPolarHBondContact CG2-O 3.33Å; T265-K435 PolarHBondContact OG1-N 3.13Å; K435-Y439 HydrophobicContact CB-CD1 3.57Å; K435-Y439 HydrophobicContact CB-CD2 4.48Å; K435-Y439 HydrophobicContact CB-CE1 4.3Å; K435-Y439 HydrophobicContact CB-CG 3.66Å; K435-Y439 HydrophobicContact CG-CD1 3.65Å; K435-Y439 HydrophobicContact CG-CD2 4.27Å; K435-Y439 HydrophobicContact CG-CE1 3.9Å; K435-Y439 HydrophobicContact CG-CE2 4.49Å; K435-Y439 HydrophobicContact CG-CG 3.85Å
436	N	94.5	Very high	93.4	Very high	89 Å²	89	71 Å²	71	48%	0.476	34%	0.343	S	S	.	.			trans	-86.1	172.5	175.5	58.6	-31.8	0	0	0	111.9	E438 Y439	N436-E438 VanDerWaalsContact C-N 3.3Å; N436-E438 WeakPolarHBondContact CB-OE2 3.29Å; N436-E438 PolarHBondContact ND2-OE2 3.43Å; N436-E438 PolarHBondContact O-N 3.27Å; N436-Y439 WeakPolarHBondContact O-CB 3.3Å; N436-Y439 PolarHBondContact O-N 3.5Å
437	R	93.4	Very high	92.4	Very high	94 Å²	94	76.5 Å²	76.5	36%	0.355	36%	0.361	S	S	.	.	H	α-helix	trans	-66.3	-34.7	-177.6	-64.7	-174.1	-177.3	171	6.8	112.1	D297 Y439 L440 V441	D297-R437 WeakPolarHBondContact O-CB 3.31Å; D297-R437 IonicContact OD2-NH1 3.37Å; D297-R437 PolarHBondContact OD2-NH1 3.46Å; R437-Y439 PolarHBondContact O-N 3.03Å; R437-L440 WeakPolarHBondContact O-CA 3.41Å; R437-L440 WeakPolarHBondContact O-CB 3.49Å; R437-L440 PolarHBondContact O-N 3.41Å; R437-V441 PolarHBondContact O-N 2.99Å
438	E	93.7	Very high	91.4	Very high	123 Å²	123	69.7 Å²	69.7	58%	0.575	33%	0.334	S	S	*	.	H	α-helix	trans	-58.9	-35	177.6	-59.8	71.6	-161	0	0	111.3	N436 V441 E442	N436-E438 VanDerWaalsContact C-N 3.3Å; N436-E438 WeakPolarHBondContact CB-OE2 3.29Å; N436-E438 PolarHBondContact ND2-OE2 3.43Å; N436-E438 PolarHBondContact O-N 3.27Å; E438-V441 PolarHBondContact O-N 3.36Å; E438-E442 VanDerWaalsContact O-CB 3.32Å; E438-E442 WeakPolarHBondContact O-CB 3.43Å; E438-E442 PolarHBondContact O-N 2.96Å
439	Y	93.9	Very high	90.4	Very high	52 Å²	52	68 Å²	68	20%	0.204	32%	0.323	C	S	.	.	H	α-helix	trans	-68	-34.9	174	-179.6	-96.9	0	0	0	112.6	P261 I262 K435 N436 R437 K443	P261-Y439 HydrophobicContact CB-CE1 4.03Å; I262-Y439 HydrophobicContact CG1-CE1 3.82Å; K435-Y439 HydrophobicContact CB-CD1 3.57Å; K435-Y439 HydrophobicContact CB-CD2 4.48Å; K435-Y439 HydrophobicContact CB-CE1 4.3Å; K435-Y439 HydrophobicContact CB-CG 3.66Å; K435-Y439 HydrophobicContact CG-CD1 3.65Å; K435-Y439 HydrophobicContact CG-CD2 4.27Å; K435-Y439 HydrophobicContact CG-CE1 3.9Å; K435-Y439 HydrophobicContact CG-CE2 4.49Å; K435-Y439 HydrophobicContact CG-CG 3.85Å; N436-Y439 WeakPolarHBondContact O-CB 3.3Å; N436-Y439 PolarHBondContact O-N 3.5Å; R437-Y439 PolarHBondContact O-N 3.03Å; Y439-K443 HydrophobicContact CD2-CG 3.85Å; Y439-K443 HydrophobicContact CE1-CG 4.3Å; Y439-K443 HydrophobicContact CE2-CD 4.45Å; Y439-K443 HydrophobicContact CE2-CG 3.58Å; Y439-K443 HydrophobicContact CG-CG 4.33Å; Y439-K443 WeakPolarHBondContact O-CB 3.49Å; Y439-K443 WeakPolarHBondContact O-CG 3.09Å; Y439-K443 PolarHBondContact O-N 3Å
440	L	93.1	Very high	89.4	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-69.7	-38.5	171	-66.1	-177.4	0	0	0	111.5	I262 T265 I266 V300 R437 L444 L445	I262-L440 HydrophobicContact CG2-CD2 4.04Å; T265-L440 HydrophobicContact CG2-CD1 3.77Å; T265-L440 HydrophobicContact CG2-CD2 4.28Å; T265-L440 HydrophobicContact CG2-CG 3.93Å; I266-L440 HydrophobicContact CG1-CD1 4.41Å; I266-L440 HydrophobicContact CG1-CD2 4.36Å; V300-L440 HydrophobicContact CG2-CD1 3.76Å; R437-L440 WeakPolarHBondContact O-CA 3.41Å; R437-L440 WeakPolarHBondContact O-CB 3.49Å; R437-L440 PolarHBondContact O-N 3.41Å; L440-L444 HydrophobicContact CD2-CD2 4.3Å; L440-L444 WeakPolarHBondContact O-CA 3.43Å; L440-L444 VanDerWaalsContact O-CB 3.25Å; L440-L444 WeakPolarHBondContact O-CB 3.45Å; L440-L444 PolarHBondContact O-N 3.08Å; L440-L445 PolarHBondContact O-N 3.36Å
441	V	92.1	Very high	88.1	Confident	58 Å²	58	69.1 Å²	69.1	35%	0.352	33%	0.329	S	S	.	.	H	α-helix	trans	-59.7	-50.2	173.3	177.8	0	0	0	0	110.4	R437 E438 L445 S446	R437-V441 PolarHBondContact O-N 2.99Å; E438-V441 PolarHBondContact O-N 3.36Å; V441-L445 HydrophobicContact CG2-CD1 4.13Å; V441-S446 PolarHBondContact O-N 2.89Å
442	E	90.2	Very high	86.5	Confident	111 Å²	111	72.2 Å²	72.2	52%	0.519	35%	0.351	S	S	.	.	H	α-helix	trans	-69.3	-45.4	-175.1	-160.8	-133.2	148.3	0	0	113.3	E438 S446	E438-E442 VanDerWaalsContact O-CB 3.32Å; E438-E442 WeakPolarHBondContact O-CB 3.43Å; E438-E442 PolarHBondContact O-N 2.96Å; E442-S446 WeakPolarHBondContact O-CB 3.5Å; E442-S446 PolarHBondContact O-OG 3.23Å
443	K	89.3	Confident	85.1	Confident	88 Å²	88	69.5 Å²	69.5	38%	0.383	34%	0.339	S	S	.	.	H	α-helix	trans	-96	-25	-172.4	-56.4	-51.5	-171.5	-167.1	0	114.9	I262 Y439	I262-K443 HydrophobicContact CD1-CB 4.27Å; Y439-K443 HydrophobicContact CD2-CG 3.85Å; Y439-K443 HydrophobicContact CE1-CG 4.3Å; Y439-K443 HydrophobicContact CE2-CD 4.45Å; Y439-K443 HydrophobicContact CE2-CG 3.58Å; Y439-K443 HydrophobicContact CG-CG 4.33Å; Y439-K443 WeakPolarHBondContact O-CB 3.49Å; Y439-K443 WeakPolarHBondContact O-CG 3.09Å; Y439-K443 PolarHBondContact O-N 3Å
444	L	88.1	Confident	83.5	Confident	5 Å²	5	68.8 Å²	68.8	3%	0.026	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-55.5	-172.9	-167.6	69.4	0	0	0	112.3	M240 I243 L258 I262 I266 L294 L440 R447 A448	M240-L444 HydrophobicContact CE-CD2 4.01Å; M240-L444 HydrophobicContact SD-CD2 3.99Å; I243-L444 HydrophobicContact CD1-CD2 4.28Å; I243-L444 HydrophobicContact CD1-CG 4.28Å; I243-L444 HydrophobicContact CG2-CD1 3.81Å; I243-L444 HydrophobicContact CG2-CG 4.37Å; L258-L444 HydrophobicContact CD2-CD1 3.84Å; I262-L444 HydrophobicContact CG2-CD1 4.19Å; I262-L444 HydrophobicContact CG2-CD2 4.04Å; I266-L444 HydrophobicContact CD1-CD2 4.15Å; L294-L444 HydrophobicContact CD1-CD2 3.75Å; L440-L444 HydrophobicContact CD2-CD2 4.3Å; L440-L444 WeakPolarHBondContact O-CA 3.43Å; L440-L444 VanDerWaalsContact O-CB 3.25Å; L440-L444 WeakPolarHBondContact O-CB 3.45Å; L440-L444 PolarHBondContact O-N 3.08Å; L444-R447 PolarHBondContact O-N 3.13Å; L444-A448 PolarHBondContact O-N 3.49Å; L444-A448 VanDerWaalsContact O-N 3.13Å
445	L	86.1	Confident	81.3	Confident	28 Å²	28	69.4 Å²	69.4	15%	0.147	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-73.1	-30.8	-174.4	-66.3	171.2	0	0	0	113.4	L294 G295 L440 V441 R447 A448	L294-L445 HydrophobicContact CB-CD2 4.04Å; L294-L445 HydrophobicContact CD1-CD2 3.66Å; L294-L445 HydrophobicContact CD1-CG 4.3Å; G295-L445 WeakPolarHBondContact O-CD1 3.45Å; L440-L445 PolarHBondContact O-N 3.36Å; V441-L445 HydrophobicContact CG2-CD1 4.13Å; L445-R447 PolarHBondContact O-N 3.18Å; L445-R447 VanDerWaalsContact O-N 3.13Å; L445-A448 HydrophobicContact CD2-CB 4.29Å; L445-A448 PolarHBondContact O-N 3.29Å; L445-A448 VanDerWaalsContact O-N 3.1Å
446	S	82.2	Confident	78.7	Confident	81 Å²	81	72.9 Å²	72.9	57%	0.566	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-55.9	-25.8	172	64.5	0	0	0	0	113.7	V441 E442	V441-S446 PolarHBondContact O-N 2.89Å; E442-S446 WeakPolarHBondContact O-CB 3.5Å; E442-S446 PolarHBondContact O-OG 3.23Å
447	R	74.9	Confident	76.2	Confident	149 Å²	149	75.1 Å²	75.1	56%	0.562	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-111.1	0.5	179.5	-55.3	-177.8	-175.4	-156.2	-0.9	113.3	L444 L445	L444-R447 PolarHBondContact O-N 3.13Å; L445-R447 PolarHBondContact O-N 3.18Å; L445-R447 VanDerWaalsContact O-N 3.13Å
448	A	77.1	Confident	73.4	Confident	15 Å²	15	73.7 Å²	73.7	12%	0.124	36%	0.362	C	S	.	.	S	Bend	trans	-78.8	147.7	-178.5	0	0	0	0	0	111.4	I243 L444 L445 K450	I243-A448 HydrophobicContact CD1-CB 4.23Å; I243-A448 HydrophobicContact CG1-CB 4.03Å; L444-A448 PolarHBondContact O-N 3.49Å; L444-A448 VanDerWaalsContact O-N 3.13Å; L445-A448 HydrophobicContact CD2-CB 4.29Å; L445-A448 PolarHBondContact O-N 3.29Å; L445-A448 VanDerWaalsContact O-N 3.1Å; A448-K450 PolarHBondContact O-N 2.93Å
449	P	73.2	Confident	70.4	Confident	7 Å²	7	79.6 Å²	79.6	5%	0.045	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-63.5	126.1	177.6	24.5	-32.7	0	0	0	110.6	H246 R454	H246-P449 HydrophobicContact CB-CG 3.98Å; P449-R454 HydrophobicContact CB-CG 4.22Å; P449-R454 HydrophobicContact CG-CG 4.16Å; P449-R454 VanDerWaalsContact O-CZ 3.23Å; P449-R454 PolarHBondContact O-NE 3.12Å; P449-R454 PolarHBondContact O-NH2 2.85Å
450	K	75.5	Confident	67.4	Low	152 Å²	152	81.7 Å²	81.7	66%	0.661	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-62.3	153.3	174.9	-66.3	-178.6	178.3	178.3	0	110.5	A448 S452 Q453 R454	A448-K450 PolarHBondContact O-N 2.93Å; K450-S452 PolarHBondContact O-N 3.01Å; K450-S452 VanDerWaalsContact O-N 3.1Å; K450-Q453 HydrophobicContact CB-CG 4.5Å; K450-Q453 WeakPolarHBondContact O-CA 3.42Å; K450-Q453 WeakPolarHBondContact O-CB 3.3Å; K450-Q453 PolarHBondContact O-N 3.38Å; K450-R454 PolarHBondContact O-N 2.78Å; K450-R454 VanDerWaalsContact O-N 3.1Å
451	I	69.7	Low	64.3	Low	38 Å²	38	87.3 Å²	87.3	20%	0.195	42%	0.42	C	S	.	.	H	α-helix	trans	-56.1	-33.1	-175	-166.2	171.4	0	0	0	113.1	V162 R454 A455	V162-I451 HydrophobicContact CG1-CD1 4.31Å; V162-I451 HydrophobicContact CG1-CG1 3.98Å; V162-I451 HydrophobicContact CG2-CD1 4.3Å; V162-I451 HydrophobicContact CG2-CG1 4.18Å; I451-R454 PolarHBondContact O-N 3.39Å; I451-A455 PolarHBondContact O-N 3.02Å
452	S	64.7	Low	61.1	Low	76 Å²	76	90.8 Å²	90.8	53%	0.531	44%	0.444	S	S	.	.	H	α-helix	trans	-70.1	-27.2	174	52.1	0	0	0	0	114.5	K450	K450-S452 PolarHBondContact O-N 3.01Å; K450-S452 VanDerWaalsContact O-N 3.1Å
453	Q	64.9	Low	58.3	Low	92 Å²	92	89.5 Å²	89.5	43%	0.43	46%	0.461	S	S	.	.	H	α-helix	trans	-80.2	-34	174.6	-65	168	-45.4	0	0	111.3	K450	K450-Q453 HydrophobicContact CB-CG 4.5Å; K450-Q453 WeakPolarHBondContact O-CA 3.42Å; K450-Q453 WeakPolarHBondContact O-CB 3.3Å; K450-Q453 PolarHBondContact O-N 3.38Å
454	R	63.2	Low	55.5	Low	48 Å²	48	87.6 Å²	87.6	18%	0.181	46%	0.459	C	S	.	.	H	α-helix	trans	-65.3	-46.4	171.4	-88.3	172.6	-83.4	140.2	-6.5	112.2	S236 G237 G238 P449 K450 I451 K456 K457	S236-R454 VanDerWaalsContact O-CZ 3.27Å; S236-R454 PolarHBondContact O-NH1 3.47Å; S236-R454 PolarHBondContact O-NH2 2.88Å; G237-R454 PolarHBondContact O-NH2 3.39Å; G237-R454 VanDerWaalsContact O-NH2 3.12Å; G238-R454 VanDerWaalsContact CA-NH1 3.26Å; P449-R454 HydrophobicContact CB-CG 4.22Å; P449-R454 HydrophobicContact CG-CG 4.16Å; P449-R454 VanDerWaalsContact O-CZ 3.23Å; P449-R454 PolarHBondContact O-NE 3.12Å; P449-R454 PolarHBondContact O-NH2 2.85Å; K450-R454 PolarHBondContact O-N 2.78Å; K450-R454 VanDerWaalsContact O-N 3.1Å; I451-R454 PolarHBondContact O-N 3.39Å; R454-K456 PolarHBondContact O-N 3.34Å; R454-K457 PolarHBondContact O-N 3.48Å
455	A	50.9	Low	52.9	Low	35 Å²	35	92.5 Å²	92.5	29%	0.289	49%	0.493	S	S	.	.	H	α-helix	trans	-55.6	-28.2	-178.3	0	0	0	0	0	114.5	V162 I451	V162-A455 HydrophobicContact CG1-CB 4.24Å; V162-A455 HydrophobicContact CG2-CB 4.34Å; I451-A455 PolarHBondContact O-N 3.02Å
456	K	41	Very low	50.8	Low	188 Å²	188	92.4 Å²	92.4	82%	0.817	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-7.4	177.5	-67.5	-171.8	176.9	-170.6	0	114.9	R454	R454-K456 PolarHBondContact O-N 3.34Å
457	K	42.3	Very low	48.7	Very low	137 Å²	137	91 Å²	91	60%	0.596	48%	0.484	S	S	*	.			trans	-119.8	22.4	-165.5	-71.7	-177.7	175.7	176.3	0	114.5	R454 R459	R454-K457 PolarHBondContact O-N 3.48Å; K457-R459 PolarHBondContact O-N 2.92Å
458	V	36.1	Very low	47.1	Very low	64 Å²	64	86.4 Å²	86.4	39%	0.388	47%	0.47	S	S	.	.			trans	-77.5	70.9	173.8	-166.9	0	0	0	0	110.7	K163 S165	K163-V458 WeakPolarHBondContact O-CG2 3.43Å; S165-V458 WeakPolarHBondContact OG-CG1 3.42Å
459	R	30.9	Very low	45.6	Very low	246 Å²	246	88.9 Å²	88.9	93%	0.928	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-73.3	130.1	159.9	-85.1	-171	168.7	-174.4	-4.8	108.3	K457	K457-R459 PolarHBondContact O-N 2.92Å
460	R	30.8	Very low	43.9	Very low	96 Å²	96	90.8 Å²	90.8	36%	0.362	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-61.5	162.8	176.6	-66.9	-176.1	178.7	-160.6	-10.9	111.3	D480	R460-D480 VanDerWaalsContact CD-OD1 3.31Å; R460-D480 WeakPolarHBondContact CD-OD1 3.39Å; R460-D480 IonicContact CZ-OD1 2.68Å; R460-D480 IonicContact CZ-OD2 2.75Å; R460-D480 IonicContact NE-OD1 3.39Å; R460-D480 PolarHBondContact NE-OD1 3.04Å; R460-D480 IonicContact NE-OD2 3.46Å; R460-D480 PolarHBondContact NE-OD2 3.16Å; R460-D480 IonicContact NH1-OD1 3.29Å; R460-D480 PolarHBondContact NH1-OD1 3.21Å; R460-D480 IonicContact NH1-OD2 3.02Å; R460-D480 IonicContact NH2-OD1 2.67Å; R460-D480 IonicContact NH2-OD2 2.82Å; R460-D480 PolarHBondContact NH2-OD2 3.34Å
461	V	27.4	Very low	42.4	Very low	120 Å²	120	85 Å²	85	73%	0.727	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-73.2	130.6	171.2	-178.1	0	0	0	0	108.3	G463	V461-G463 PolarHBondContact O-N 3.22Å
462	P	25	Very low	40.9	Very low	131 Å²	131	90.2 Å²	90.2	85%	0.851	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	128	175.2	-25.4	34.8	0	0	0	111.4
463	G	31.9	Very low	39.7	Very low	84 Å²	84	93.3 Å²	93.3	87%	0.866	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.9	7	-178	0	0	0	0	0	116.2	V461	V461-G463 PolarHBondContact O-N 3.22Å
464	S	30.4	Very low	38.4	Very low	48 Å²	48	90.5 Å²	90.5	34%	0.336	50%	0.503	S	S	.	.	S	Bend	trans	-77.3	147.8	156.2	52.5	0	0	0	0	110.7	W478	S464-W478 VanDerWaalsContact O-CZ2 3.22Å; S464-W478 WeakPolarHBondContact O-CZ2 3.34Å
465	S	32.4	Very low	37	Very low	108 Å²	108	93.8 Å²	93.8	76%	0.755	52%	0.524	S	S	*	.			trans	-65.5	154.5	174.4	-49.4	0	0	0	0	113
466	G	41.8	Very low	36.4	Very low	26 Å²	26	96 Å²	96	27%	0.268	53%	0.525	S	S	.	.			trans	175.5	175	179.7	0	0	0	0	0	110.7	W478	G466-W478 VanDerWaalsContact CA-CZ2 3.42Å
467	H	37.9	Very low	36.3	Very low	52 Å²	52	92.7 Å²	92.7	24%	0.241	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	155.9	-169.9	-169.7	82.4	0	0	0	112.4	W478 S479	H467-W478 CarbonylContact O-C 3.59Å; H467-W478 WeakPolarHBondContact O-CA 3.26Å; H467-S479 PolarHBondContact N-O 3.06Å; H467-S479 PolarHBondContact O-N 2.84Å
468	L	41	Very low	36.2	Very low	52 Å²	52	92.1 Å²	92.1	27%	0.272	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	120.9	178.4	-168.2	80.1	0	0	0	109	W476 E477 W478	L468-W476 HydrophobicContact CD1-CB 4.37Å; L468-W476 HydrophobicContact CD2-CB 4.47Å; L468-W476 HydrophobicContact CD2-CD2 4.13Å; L468-W476 HydrophobicContact CD2-CE3 3.92Å; L468-W476 HydrophobicContact CD2-CG 4.42Å; L468-W476 HydrophobicContact CD2-CZ3 4.45Å; L468-W476 HydrophobicContact CG-CB 4.36Å; L468-W476 HydrophobicContact CG-CD2 4.32Å; L468-W476 HydrophobicContact CG-CE3 3.76Å; L468-W476 HydrophobicContact CG-CZ3 4.4Å; L468-E477 WeakPolarHBondContact CA-O 3.45Å; L468-W478 HydrophobicContact CD1-CB 4.29Å
469	H	46.6	Very low	36.5	Very low	66 Å²	66	90.6 Å²	90.6	31%	0.306	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	155.8	-177.1	71.5	91.1	0	0	0	111.6	W476 E477 S479	H469-W476 WeakPolarHBondContact O-CA 3.44Å; H469-E477 PolarHBondContact N-O 2.91Å; H469-E477 PolarHBondContact O-N 2.88Å; H469-S479 PolarHBondContact CD2-OG 2.94Å; H469-S479 VanDerWaalsContact CD2-OG 3.32Å
470	K	38.3	Very low	37.1	Very low	47 Å²	47	80.6 Å²	80.6	20%	0.204	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	143	171.1	-78	169.3	166.2	138.5	0	110.3	D475 W476 D566 E574	K470-D475 CarbonylContact C-O 3.58Å; K470-D475 VanDerWaalsContact CA-O 3.31Å; K470-D475 WeakPolarHBondContact CA-O 3.49Å; K470-W476 HydrophobicContact CD-CH2 4.33Å; K470-W476 HydrophobicContact CD-CZ2 4.06Å; K470-W476 VanDerWaalsContact CE-CE2 3.46Å; K470-W476 HydrophobicContact CG-CD2 3.72Å; K470-W476 HydrophobicContact CG-CE3 3.82Å; K470-W476 HydrophobicContact CG-CG 4.31Å; K470-W476 HydrophobicContact CG-CH2 4.19Å; K470-W476 HydrophobicContact CG-CZ2 4.11Å; K470-W476 HydrophobicContact CG-CZ3 4.05Å; K470-D566 IonicContact NZ-OD1 2.64Å; K470-D566 PolarHBondContact NZ-OD1 2.96Å; K470-E574 IonicContact NZ-OE2 3.67Å
471	T	43.2	Very low	37.6	Very low	31 Å²	31	80 Å²	80	19%	0.19	47%	0.468	C	S	.	.			trans	-77.5	175.4	167.8	65.4	0	0	0	0	110.4	D473 G474 D475 E477	T471-D473 PolarHBondContact O-N 3.44Å; T471-D473 PolarHBondContact OG1-N 3.44Å; T471-G474 PolarHBondContact O-N 2.99Å; T471-G474 PolarHBondContact OG1-N 3.12Å; T471-D475 PolarHBondContact N-O 2.93Å; T471-D475 PolarHBondContact OG1-N 2.86Å; T471-D475 PolarHBondContact OG1-O 3.41Å; T471-E477 HydrophobicContact CG2-CB 3.94Å; T471-E477 HydrophobicContact CG2-CG 3.59Å
472	V	38.6	Very low	38.2	Very low	147 Å²	147	80 Å²	80	89%	0.891	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-26.2	173.5	-68.1	0	0	0	0	113
473	D	38.8	Very low	38.8	Very low	141 Å²	141	80.1 Å²	80.1	75%	0.754	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-9.1	178.5	-54.5	-68.2	0	0	0	112.8	T471	T471-D473 PolarHBondContact O-N 3.44Å; T471-D473 PolarHBondContact OG1-N 3.44Å
474	G	37.7	Very low	39.4	Very low	33 Å²	33	79.9 Å²	79.9	34%	0.34	43%	0.431	S	S	.	.	S	Bend	trans	102.8	-9.8	173.7	0	0	0	0	0	115.9	T471	T471-G474 PolarHBondContact O-N 2.99Å; T471-G474 PolarHBondContact OG1-N 3.12Å
475	D	34.7	Very low	40	Very low	117 Å²	117	84.9 Å²	84.9	63%	0.626	45%	0.45	S	S	*	.			trans	-69	148.6	175.9	-73.4	-46.5	0	0	0	112.2	K470 T471	K470-D475 CarbonylContact C-O 3.58Å; K470-D475 VanDerWaalsContact CA-O 3.31Å; K470-D475 WeakPolarHBondContact CA-O 3.49Å; T471-D475 PolarHBondContact N-O 2.93Å; T471-D475 PolarHBondContact OG1-N 2.86Å; T471-D475 PolarHBondContact OG1-O 3.41Å
476	W	38.3	Very low	40.6	Very low	81 Å²	81	81.7 Å²	81.7	31%	0.307	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	116.2	174.3	-72.3	107	0	0	0	111.7	L468 H469 K470 E574	L468-W476 HydrophobicContact CD1-CB 4.37Å; L468-W476 HydrophobicContact CD2-CB 4.47Å; L468-W476 HydrophobicContact CD2-CD2 4.13Å; L468-W476 HydrophobicContact CD2-CE3 3.92Å; L468-W476 HydrophobicContact CD2-CG 4.42Å; L468-W476 HydrophobicContact CD2-CZ3 4.45Å; L468-W476 HydrophobicContact CG-CB 4.36Å; L468-W476 HydrophobicContact CG-CD2 4.32Å; L468-W476 HydrophobicContact CG-CE3 3.76Å; L468-W476 HydrophobicContact CG-CZ3 4.4Å; H469-W476 WeakPolarHBondContact O-CA 3.44Å; K470-W476 HydrophobicContact CD-CH2 4.33Å; K470-W476 HydrophobicContact CD-CZ2 4.06Å; K470-W476 VanDerWaalsContact CE-CE2 3.46Å; K470-W476 HydrophobicContact CG-CD2 3.72Å; K470-W476 HydrophobicContact CG-CE3 3.82Å; K470-W476 HydrophobicContact CG-CG 4.31Å; K470-W476 HydrophobicContact CG-CH2 4.19Å; K470-W476 HydrophobicContact CG-CZ2 4.11Å; K470-W476 HydrophobicContact CG-CZ3 4.05Å; W476-E574 PolarHBondContact NE1-OE2 3.44Å
477	E	38.3	Very low	40.8	Very low	119 Å²	119	82 Å²	82	56%	0.556	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	160.5	169.4	-80.1	-161.7	137.6	0	0	112.1	L468 H469 T471	L468-E477 WeakPolarHBondContact CA-O 3.45Å; H469-E477 PolarHBondContact N-O 2.91Å; H469-E477 PolarHBondContact O-N 2.88Å; T471-E477 HydrophobicContact CG2-CB 3.94Å; T471-E477 HydrophobicContact CG2-CG 3.59Å
478	W	39.7	Very low	40.9	Very low	126 Å²	126	87.7 Å²	87.7	48%	0.477	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	120	-175.3	-171.2	87.4	0	0	0	110.2	S464 G466 H467 L468	S464-W478 VanDerWaalsContact O-CZ2 3.22Å; S464-W478 WeakPolarHBondContact O-CZ2 3.34Å; G466-W478 VanDerWaalsContact CA-CZ2 3.42Å; H467-W478 CarbonylContact O-C 3.59Å; H467-W478 WeakPolarHBondContact O-CA 3.26Å; L468-W478 HydrophobicContact CD1-CB 4.29Å
479	S	41.8	Very low	40.9	Very low	31 Å²	31	92.3 Å²	92.3	22%	0.217	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	153.9	-170.8	65.3	0	0	0	0	113.8	H467 H469	H467-S479 PolarHBondContact N-O 3.06Å; H467-S479 PolarHBondContact O-N 2.84Å; H469-S479 PolarHBondContact CD2-OG 2.94Å; H469-S479 VanDerWaalsContact CD2-OG 3.32Å
480	D	44.8	Very low	40.7	Very low	37 Å²	37	89.5 Å²	89.5	20%	0.198	47%	0.468	C	S	.	.			trans	-90.5	124.2	173.7	-80.7	-21.7	0	0	0	109.8	R460 E482 L483	R460-D480 VanDerWaalsContact CD-OD1 3.31Å; R460-D480 WeakPolarHBondContact CD-OD1 3.39Å; R460-D480 IonicContact CZ-OD1 2.68Å; R460-D480 IonicContact CZ-OD2 2.75Å; R460-D480 IonicContact NE-OD1 3.39Å; R460-D480 PolarHBondContact NE-OD1 3.04Å; R460-D480 IonicContact NE-OD2 3.46Å; R460-D480 PolarHBondContact NE-OD2 3.16Å; R460-D480 IonicContact NH1-OD1 3.29Å; R460-D480 PolarHBondContact NH1-OD1 3.21Å; R460-D480 IonicContact NH1-OD2 3.02Å; R460-D480 IonicContact NH2-OD1 2.67Å; R460-D480 IonicContact NH2-OD2 2.82Å; R460-D480 PolarHBondContact NH2-OD2 3.34Å; D480-E482 PolarHBondContact O-N 3.36Å; D480-L483 HydrophobicContact CB-CD1 4.47Å; D480-L483 PolarHBondContact O-N 3.35Å
481	D	40.4	Very low	41.3	Very low	82 Å²	82	92.5 Å²	92.5	44%	0.439	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-55	-25.6	-177.9	-44.6	-54.9	0	0	0	114	L483	D481-L483 PolarHBondContact O-N 3.06Å; D481-L483 VanDerWaalsContact O-N 3.09Å
482	E	40.3	Very low	41.5	Very low	121 Å²	121	93.2 Å²	93.2	57%	0.565	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-62.4	-10.1	175	-89.4	-168.8	-154.9	0	0	114.8	K163 D480	K163-E482 IonicContact NZ-OE2 2.55Å; K163-E482 PolarHBondContact NZ-OE2 3.11Å; D480-E482 PolarHBondContact O-N 3.36Å
483	L	37.5	Very low	41.7	Very low	134 Å²	134	87.6 Å²	87.6	70%	0.702	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-127.6	-3.2	-166.7	-65	176.3	0	0	0	115.6	D480 D481	D480-L483 HydrophobicContact CB-CD1 4.47Å; D480-L483 PolarHBondContact O-N 3.35Å; D481-L483 PolarHBondContact O-N 3.06Å; D481-L483 VanDerWaalsContact O-N 3.09Å
484	D	45.4	Very low	42.1	Very low	78 Å²	78	84.7 Å²	84.7	42%	0.417	45%	0.446	S	S	.	.			trans	-83.6	120.1	176.5	171	41.6	0	0	0	112	G486 S487 G490	D484-G486 VanDerWaalsContact CG-N 3.26Å; D484-G486 PolarHBondContact O-N 3.38Å; D484-G486 PolarHBondContact OD1-N 3.5Å; D484-G486 VanDerWaalsContact OD2-C 3.31Å; D484-G486 VanDerWaalsContact OD2-CA 3.32Å; D484-G486 WeakPolarHBondContact OD2-CA 3.46Å; D484-G486 PolarHBondContact OD2-N 2.59Å; D484-S487 PolarHBondContact O-N 3.35Å; D484-S487 PolarHBondContact O-OG 3.2Å; D484-S487 PolarHBondContact OD2-N 2.97Å; D484-G490 WeakPolarHBondContact O-CA 3.44Å
485	E	41.8	Very low	42.4	Very low	153 Å²	153	90 Å²	90	72%	0.715	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-12.3	174.4	-61.8	-170.6	161.8	0	0	113.1	K491	E485-K491 WeakPolarHBondContact O-CG 3.42Å
486	G	46.1	Very low	42.8	Very low	41 Å²	41	91 Å²	91	42%	0.423	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-33	172.7	0	0	0	0	0	114.5	D484 K491	D484-G486 VanDerWaalsContact CG-N 3.26Å; D484-G486 PolarHBondContact O-N 3.38Å; D484-G486 PolarHBondContact OD1-N 3.5Å; D484-G486 VanDerWaalsContact OD2-C 3.31Å; D484-G486 VanDerWaalsContact OD2-CA 3.32Å; D484-G486 WeakPolarHBondContact OD2-CA 3.46Å; D484-G486 PolarHBondContact OD2-N 2.59Å; G486-K491 WeakPolarHBondContact O-CE 3.49Å; G486-K491 PolarHBondContact O-NZ 2.95Å
487	S	45.1	Very low	42.8	Very low	32 Å²	32	90.3 Å²	90.3	22%	0.224	49%	0.485	C	S	.	.	S	Bend	trans	-69	156.1	-178.5	72.7	0	0	0	0	113.3	D484 E489 G490 K491	D484-S487 PolarHBondContact O-N 3.35Å; D484-S487 PolarHBondContact O-OG 3.2Å; D484-S487 PolarHBondContact OD2-N 2.97Å; S487-E489 PolarHBondContact O-N 3.38Å; S487-G490 PolarHBondContact O-N 3.23Å; S487-G490 PolarHBondContact OG-N 3.39Å; S487-K491 WeakPolarHBondContact O-CB 3.43Å; S487-K491 WeakPolarHBondContact O-CD 3.38Å; S487-K491 VanDerWaalsContact O-CG 3.25Å; S487-K491 WeakPolarHBondContact O-CG 3.5Å; S487-K491 PolarHBondContact O-N 2.89Å
488	E	41.4	Very low	42.5	Very low	172 Å²	172	93.9 Å²	93.9	80%	0.804	49%	0.494	S	S	*	.	H	α-helix	trans	-63.3	-32.4	172.8	-66.3	-145.2	136.4	0	0	112.2	A492	E488-A492 VanDerWaalsContact O-CB 3.28Å; E488-A492 WeakPolarHBondContact O-CB 3.3Å; E488-A492 PolarHBondContact O-N 2.96Å
489	E	39.9	Very low	41.9	Very low	149 Å²	149	93.4 Å²	93.4	70%	0.696	51%	0.51	S	S	*	.	H	α-helix	trans	-72.9	-37.9	-179.9	-57.8	-168.4	138.8	0	0	111.7	S487 A492 A493	S487-E489 PolarHBondContact O-N 3.38Å; E489-A492 PolarHBondContact O-N 3.48Å; E489-A493 PolarHBondContact O-N 3.36Å
490	G	43.3	Very low	41.4	Very low	8 Å²	8	103.3 Å²	103.3	8%	0.082	54%	0.543	C	S	.	.	H	α-helix	trans	-67.2	-44.6	170	0	0	0	0	0	112.8	D484 S487 A492 A493 V494	D484-G490 WeakPolarHBondContact O-CA 3.44Å; S487-G490 PolarHBondContact O-N 3.23Å; S487-G490 PolarHBondContact OG-N 3.39Å; G490-A492 VanDerWaalsContact C-N 3.27Å; G490-A492 PolarHBondContact O-N 3.01Å; G490-A493 CarbonylContact O-C 3.56Å; G490-A493 WeakPolarHBondContact O-CA 3.48Å; G490-A493 WeakPolarHBondContact O-CB 3.49Å; G490-A493 PolarHBondContact O-N 3.25Å; G490-V494 WeakPolarHBondContact O-CG2 3.41Å; G490-V494 PolarHBondContact O-N 3.09Å
491	K	49.3	Very low	40.5	Very low	110 Å²	110	113.2 Å²	113.2	48%	0.478	58%	0.577	S	S	.	*	H	α-helix	trans	-58.2	-39.7	172.3	-72.9	162.6	179	160.7	0	111.8	E485 G486 S487 A493 V494 N495	E485-K491 WeakPolarHBondContact O-CG 3.42Å; G486-K491 WeakPolarHBondContact O-CE 3.49Å; G486-K491 PolarHBondContact O-NZ 2.95Å; S487-K491 WeakPolarHBondContact O-CB 3.43Å; S487-K491 WeakPolarHBondContact O-CD 3.38Å; S487-K491 VanDerWaalsContact O-CG 3.25Å; S487-K491 WeakPolarHBondContact O-CG 3.5Å; S487-K491 PolarHBondContact O-N 2.89Å; K491-A493 VanDerWaalsContact C-N 3.32Å; K491-A493 PolarHBondContact O-N 3.27Å; K491-V494 PolarHBondContact O-N 3.37Å; K491-N495 WeakPolarHBondContact O-CB 3.26Å; K491-N495 PolarHBondContact O-N 3.38Å; K491-N495 PolarHBondContact O-ND2 3.19Å
492	A	48.7	Very low	39.8	Very low	46 Å²	46	114.8 Å²	114.8	38%	0.38	59%	0.589	S	S	.	*	H	α-helix	trans	-66.1	-30.3	172.7	0	0	0	0	0	113	E488 E489 G490 Q496	E488-A492 VanDerWaalsContact O-CB 3.28Å; E488-A492 WeakPolarHBondContact O-CB 3.3Å; E488-A492 PolarHBondContact O-N 2.96Å; E489-A492 PolarHBondContact O-N 3.48Å; G490-A492 VanDerWaalsContact C-N 3.27Å; G490-A492 PolarHBondContact O-N 3.01Å; A492-Q496 WeakPolarHBondContact O-CG 3.41Å; A492-Q496 PolarHBondContact O-NE2 2.67Å
493	A	43.1	Very low	39.1	Very low	28 Å²	28	116.8 Å²	116.8	23%	0.231	60%	0.596	C	S	.	*	H	α-helix	trans	-76.1	-34	174.5	0	0	0	0	0	113.4	E489 G490 K491	E489-A493 PolarHBondContact O-N 3.36Å; G490-A493 CarbonylContact O-C 3.56Å; G490-A493 WeakPolarHBondContact O-CA 3.48Å; G490-A493 WeakPolarHBondContact O-CB 3.49Å; G490-A493 PolarHBondContact O-N 3.25Å; K491-A493 VanDerWaalsContact C-N 3.32Å; K491-A493 PolarHBondContact O-N 3.27Å
494	V	46.5	Very low	38.4	Very low	80 Å²	80	121.3 Å²	121.3	49%	0.485	61%	0.605	S	S	.	*	H	α-helix	trans	-69.2	-47.2	174.1	173.2	0	0	0	0	110.8	G490 K491 Q496 G497	G490-V494 WeakPolarHBondContact O-CG2 3.41Å; G490-V494 PolarHBondContact O-N 3.09Å; K491-V494 PolarHBondContact O-N 3.37Å; V494-Q496 PolarHBondContact O-N 3.34Å; V494-G497 PolarHBondContact O-N 2.89Å; V494-G497 VanDerWaalsContact O-N 3.09Å
495	N	44.9	Very low	37.5	Very low	144 Å²	144	123.9 Å²	123.9	77%	0.77	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-11.8	178.5	-78	-29.9	0	0	0	114.3	K491 G497	K491-N495 WeakPolarHBondContact O-CB 3.26Å; K491-N495 PolarHBondContact O-N 3.38Å; K491-N495 PolarHBondContact O-ND2 3.19Å; N495-G497 VanDerWaalsContact C-N 3.25Å; N495-G497 PolarHBondContact O-N 3.43Å
496	Q	43.2	Very low	36.6	Very low	138 Å²	138	121.1 Å²	121.1	65%	0.645	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	16.7	172.6	-76	171.1	62.9	0	0	113.9	A492 V494 R498	A492-Q496 WeakPolarHBondContact O-CG 3.41Å; A492-Q496 PolarHBondContact O-NE2 2.67Å; V494-Q496 PolarHBondContact O-N 3.34Å; Q496-R498 PolarHBondContact O-N 3.25Å
497	G	36.8	Very low	35.6	Very low	67 Å²	67	128.4 Å²	128.4	69%	0.691	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	73.3	23.9	165.9	0	0	0	0	0	115.3	V494 N495 S499	V494-G497 PolarHBondContact O-N 2.89Å; V494-G497 VanDerWaalsContact O-N 3.09Å; N495-G497 VanDerWaalsContact C-N 3.25Å; N495-G497 PolarHBondContact O-N 3.43Å; G497-S499 PolarHBondContact O-N 3.29Å; G497-S499 VanDerWaalsContact O-N 3.07Å
498	R	32.5	Very low	34.6	Very low	194 Å²	194	133.9 Å²	133.9	73%	0.732	67%	0.665	S	S	*	*			trans	-69.6	103.6	175.4	-73.1	-178.9	173.3	168.8	2.6	110.3	Q496	Q496-R498 PolarHBondContact O-N 3.25Å
499	S	27.9	Very low	33.8	Very low	116 Å²	116	131.9 Å²	131.9	81%	0.811	66%	0.66	S	S	*	*			trans	-58.6	136.8	-173.3	-170	0	0	0	0	113.9	G497	G497-S499 PolarHBondContact O-N 3.29Å; G497-S499 VanDerWaalsContact O-N 3.07Å
500	R	29.8	Very low	33	Very low	240 Å²	240	132.5 Å²	132.5	91%	0.906	66%	0.663	S	S	*	*			trans	-49.7	139.6	170.3	-104.3	179.6	172.5	177	-2.4	110.6
501	R	25.8	Very low	32.2	Very low	244 Å²	244	140 Å²	140	92%	0.921	70%	0.696	S	S	*	*			trans	-115.9	112.8	166.4	-152.3	171.8	-164.9	167.8	5.7	110.9
502	V	25.7	Very low	31	Very low	115 Å²	115	142.3 Å²	142.3	70%	0.697	71%	0.714	S	S	*	*			trans	-63.2	137.7	-179.8	179.3	0	0	0	0	110.5	Y504	V502-Y504 PolarHBondContact O-N 3.25Å
503	K	26.1	Very low	29.8	Very low	164 Å²	164	143.7 Å²	143.7	71%	0.713	73%	0.725	S	S	*	*			trans	-66.5	119.9	164.7	-86.5	179.7	157.2	-161.6	0	109.1	E505	K503-E505 WeakPolarHBondContact CD-OE1 3.28Å; K503-E505 WeakPolarHBondContact CE-OE1 3.38Å; K503-E505 IonicContact NZ-OE1 2.74Å; K503-E505 PolarHBondContact NZ-OE1 3.4Å
504	Y	22.5	Very low	28.8	Very low	228 Å²	228	149.3 Å²	149.3	89%	0.894	75%	0.751	S	S	*	*			trans	-89.1	107.8	153.7	-86.6	-92.5	0	0	0	107.5	V502	V502-Y504 PolarHBondContact O-N 3.25Å
505	E	26.6	Very low	27.9	Very low	132 Å²	132	153.2 Å²	153.2	62%	0.617	77%	0.769	S	S	*	*			trans	-99.6	122	163.5	-68.9	-174.8	-170.5	0	0	107.4	K503	K503-E505 WeakPolarHBondContact CD-OE1 3.28Å; K503-E505 WeakPolarHBondContact CE-OE1 3.38Å; K503-E505 IonicContact NZ-OE1 2.74Å; K503-E505 PolarHBondContact NZ-OE1 3.4Å
506	A	23.9	Very low	26.8	Very low	95 Å²	95	153.9 Å²	153.9	79%	0.785	77%	0.771	S	S	*	*			trans	-94.6	122.5	174	0	0	0	0	0	108.8
507	K	25.4	Very low	26.4	Very low	195 Å²	195	152.2 Å²	152.2	85%	0.848	77%	0.772	S	S	*	*			trans	-137.6	121.6	163.9	-74.7	-174.3	177.4	-180	0	106.5
508	D	23.8	Very low	25.8	Very low	146 Å²	146	155.8 Å²	155.8	78%	0.781	77%	0.774	S	S	*	*			trans	-90.3	166.7	173.6	-61.7	-54.7	0	0	0	110.6
509	N	24	Very low	25.4	Very low	130 Å²	130	154.7 Å²	154.7	70%	0.695	78%	0.777	S	S	*	*			trans	79.2	102.6	171.9	-56	19.8	0	0	0	117.1
510	E	24.2	Very low	25.1	Very low	162 Å²	162	152 Å²	152	76%	0.757	77%	0.767	S	S	*	*				54.1	134.4	109	-63.9	156.7	-176.8	0	0	118.8
511	E	25	Very low	24.8	Very low	167 Å²	167	148.6 Å²	148.6	78%	0.78	77%	0.766	S	S	*	*			cis	-159	152.3	4.3	-133.8	172.1	-165.6	0	0	113.2
512	D	24.4	Very low	24.6	Very low	158 Å²	158	142.2 Å²	142.2	85%	0.845	76%	0.759	S	S	*	*			trans	67.9	149.4	145.4	-115.8	9.6	0	0	0	127.4
513	A	22.6	Very low	24.6	Very low	74 Å²	74	142.7 Å²	142.7	61%	0.612	76%	0.762	S	S	*	*			trans	82.9	95.8	152	0	0	0	0	0	123.9
514	N	23.8	Very low	24.4	Very low	146 Å²	146	144 Å²	144	78%	0.781	77%	0.771	S	S	*	*				47.8	107.5	127.9	-58.1	-30.1	0	0	0	122.3
515	N	25.9	Very low	24.5	Very low	162 Å²	162	141.7 Å²	141.7	87%	0.866	77%	0.768	S	S	*	*				175.4	167.9	101.7	-92.7	-30.4	0	0	0	115
516	I	23.6	Very low	25.1	Very low	158 Å²	158	140.5 Å²	140.5	81%	0.81	77%	0.772	S	S	*	*			trans	-135.4	175.3	172.9	4.8	173.8	0	0	0	107.2
517	P	33.7	Very low	25	Very low	103 Å²	103	144.5 Å²	144.5	67%	0.669	77%	0.774	S	S	*	*			cis	-136.4	-155.6	-11.5	27.8	-1.4	0	0	0	113.5
518	I	25.2	Very low	25	Very low	142 Å²	142	141.4 Å²	141.4	73%	0.728	77%	0.771	S	S	*	*			trans	64.3	160.1	162.9	10.7	-179.3	0	0	0	117.4
519	E	23.5	Very low	25.2	Very low	172 Å²	172	141.4 Å²	141.4	80%	0.804	77%	0.766	S	S	*	*			cis	-157.5	169.3	-7.2	-161.7	148.8	-108.6	0	0	107.4
520	G	22.4	Very low	25.2	Very low	59 Å²	59	141.3 Å²	141.3	61%	0.608	77%	0.773	S	S	*	*			cis	150.6	168.8	-8.8	0	0	0	0	0	112.1
521	L	22.3	Very low	25.2	Very low	168 Å²	168	142.5 Å²	142.5	88%	0.88	77%	0.772	S	S	*	*			trans	65.1	161.3	173.6	-64	168.2	0	0	0	116.3
522	S	22	Very low	25.4	Very low	111 Å²	111	141.6 Å²	141.6	78%	0.776	77%	0.768	S	S	*	*			cis	-151.4	-172.9	-10.4	-159.3	0	0	0	0	111.3
523	V	25.7	Very low	25.6	Very low	125 Å²	125	140.4 Å²	140.4	76%	0.758	76%	0.761	S	S	*	*			trans	-120	147.3	-172.7	174.7	0	0	0	0	112.5
524	Q	22	Very low	25.8	Very low	190 Å²	190	142.2 Å²	142.2	89%	0.888	77%	0.765	S	S	*	*			trans	-179.5	167.4	137.6	-99.5	162.5	38.4	0	0	117
525	H	24.4	Very low	26.2	Very low	181 Å²	181	141.2 Å²	141.2	84%	0.838	77%	0.766	S	S	*	*			trans	-148.9	179.8	-172.3	-107.5	-23.1	0	0	0	107.3
526	P	38.9	Very low	26.6	Very low	107 Å²	107	141.9 Å²	141.9	70%	0.695	76%	0.762	S	S	*	*			cis	-137.3	-152.7	-3.3	35.4	-11.2	0	0	0	114.1
527	Q	23.2	Very low	27.4	Very low	178 Å²	178	139 Å²	139	83%	0.832	75%	0.747	S	S	*	*			trans	91.7	139.7	165.7	-55.4	-166.3	-3	0	0	117.6
528	V	23.4	Very low	27.9	Very low	130 Å²	130	143.5 Å²	143.5	79%	0.788	76%	0.759	S	S	*	*			cis	-152.8	156.1	-8.8	124	0	0	0	0	109.6
529	E	28.3	Very low	29.4	Very low	146 Å²	146	138.5 Å²	138.5	68%	0.682	74%	0.743	S	S	*	*			trans	-78.9	168.3	-177.6	-62.5	-171.8	156.4	0	0	115.4	Y531	E529-Y531 WeakPolarHBondContact OE2-CD2 3.24Å; E529-Y531 WeakPolarHBondContact OE2-CE2 3.39Å
530	P	25.2	Very low	31.4	Very low	128 Å²	128	132.1 Å²	132.1	83%	0.831	72%	0.719	S	S	*	*				-135.7	144.9	110.7	38	-29	0	0	0	117.1
531	Y	24.6	Very low	33.9	Very low	188 Å²	188	130.1 Å²	130.1	74%	0.737	70%	0.695	S	S	*	*			trans	-54	156.9	160	-97.4	-136.7	0	0	0	112.8	E529	E529-Y531 WeakPolarHBondContact OE2-CD2 3.24Å; E529-Y531 WeakPolarHBondContact OE2-CE2 3.39Å
532	E	28.8	Very low	36.6	Very low	148 Å²	148	125.6 Å²	125.6	69%	0.692	67%	0.672	S	S	*	*			cis	-147.8	150.6	9	-58.4	-175.8	138.3	0	0	111.6
533	N	27.2	Very low	39.4	Very low	132 Å²	132	120.4 Å²	120.4	71%	0.706	64%	0.636	S	S	*	*				175.3	143.8	106	-103.4	-75.9	0	0	0	115.2
534	T	27.8	Very low	42.2	Very low	112 Å²	112	114.9 Å²	114.9	69%	0.687	60%	0.602	S	S	*	*			trans	55.4	131.2	169.9	52.2	0	0	0	0	118.9	F536	T534-F536 PolarHBondContact O-N 2.95Å
535	P	32.2	Very low	45.3	Very low	125 Å²	125	105.9 Å²	105.9	81%	0.812	56%	0.56	S	S	*	*			trans	-76.2	107.4	175.9	31.3	-32.7	0	0	0	110.8	I537	P535-I537 PolarHBondContact O-N 3.2Å
536	F	34.8	Very low	48.4	Very low	177 Å²	177	101.1 Å²	101.1	78%	0.776	54%	0.535	S	S	*	.			trans	-58.2	134.6	162.1	-108.3	-98.5	0	0	0	109.4	T534 Q538	T534-F536 PolarHBondContact O-N 2.95Å; F536-Q538 PolarHBondContact O-N 2.96Å
537	I	40.3	Very low	50.7	Low	97 Å²	97	96.6 Å²	96.6	50%	0.497	51%	0.505	S	S	.	.			trans	-73.7	83.1	170.3	-58.9	177.5	0	0	0	107.2	P535 G539 P600	P535-I537 PolarHBondContact O-N 3.2Å; I537-G539 PolarHBondContact O-N 2.99Å; I537-P600 HydrophobicContact CD1-CG 3.79Å
538	Q	43.3	Very low	53.6	Low	197 Å²	197	91.6 Å²	91.6	92%	0.921	48%	0.478	S	S	*	.			trans	-83.1	52.4	-178.7	-157.6	166.7	18.8	0	0	110.9	F536	F536-Q538 PolarHBondContact O-N 2.96Å
539	G	57.2	Low	56	Low	38 Å²	38	87.8 Å²	87.8	39%	0.392	45%	0.453	S	S	.	.	S	Bend	trans	-146.5	143.9	176.2	0	0	0	0	0	108.7	I537	I537-G539 PolarHBondContact O-N 2.99Å
540	A	65.3	Low	57.8	Low	38 Å²	38	87 Å²	87	31%	0.314	46%	0.464	S	S	.	.			trans	-70.9	140.2	-176.5	0	0	0	0	0	111.3	E560	A540-E560 VanDerWaalsContact CB-CD 3.4Å; A540-E560 HydrophobicContact CB-CG 3.44Å; A540-E560 VanDerWaalsContact CB-CG 3.44Å; A540-E560 WeakPolarHBondContact CB-OE1 3.45Å
541	V	75	Confident	59.7	Low	17 Å²	17	88.2 Å²	88.2	10%	0.103	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	113.4	-167.8	-176	0	0	0	0	109.2	M543 F561 P563 V633	V541-M543 HydrophobicContact CB-CE 4.08Å; V541-M543 HydrophobicContact CG1-CE 3.72Å; V541-M543 HydrophobicContact CG1-CG 4.1Å; V541-M543 PolarHBondContact O-N 3.46Å; V541-F561 PolarHBondContact N-O 3.4Å; V541-F561 PolarHBondContact O-N 3.38Å; V541-P563 HydrophobicContact CG2-CG 4.4Å; V541-V633 HydrophobicContact CG1-CG1 3.73Å; V541-V633 HydrophobicContact CG1-CG2 4.08Å
542	N	78.6	Confident	62.1	Low	73 Å²	73	82.8 Å²	82.8	39%	0.39	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	117.1	175.5	-85.6	-89.2	0	0	0	110.2	S634	N542-S634 PolarHBondContact O-N 3.29Å
543	M	80.4	Confident	64.4	Low	2 Å²	2	80.7 Å²	80.7	1%	0.01	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	152	-177.1	-63.8	-167.7	-172.9	0	0	112.2	V541 R558 F559 F561 L593 I596 V597 L631 S632	V541-M543 HydrophobicContact CB-CE 4.08Å; V541-M543 HydrophobicContact CG1-CE 3.72Å; V541-M543 HydrophobicContact CG1-CG 4.1Å; V541-M543 PolarHBondContact O-N 3.46Å; M543-R558 WeakPolarHBondContact O-CA 3.38Å; M543-F559 HydrophobicContact CB-CD2 4.26Å; M543-F559 HydrophobicContact CB-CE1 4.16Å; M543-F559 HydrophobicContact CB-CE2 3.68Å; M543-F559 HydrophobicContact CB-CZ 3.6Å; M543-F559 HydrophobicContact CG-CE2 4.27Å; M543-F559 HydrophobicContact CG-CZ 4.49Å; M543-F559 PolarHBondContact N-O 3.02Å; M543-F559 PolarHBondContact O-N 2.69Å; M543-F559 VanDerWaalsContact O-N 3.08Å; M543-F559 HydrophobicContact SD-CE2 3.96Å; M543-F559 HydrophobicContact SD-CZ 4.23Å; M543-F561 HydrophobicContact CE-CB 3.85Å; M543-F561 HydrophobicContact CE-CD1 4.4Å; M543-F561 HydrophobicContact CE-CG 4.09Å; M543-F561 HydrophobicContact SD-CB 4.23Å; M543-L593 HydrophobicContact SD-CD2 3.76Å; M543-I596 HydrophobicContact CE-CG2 3.8Å; M543-I596 HydrophobicContact SD-CG2 4.21Å; M543-V597 HydrophobicContact CE-CG2 3.72Å; M543-L631 HydrophobicContact CB-CD1 4.24Å; M543-L631 HydrophobicContact SD-CD1 4.34Å; M543-L631 HydrophobicContact SD-CD2 4.48Å; M543-S632 CarbonylContact C-O 3.58Å; M543-S632 WeakPolarHBondContact CA-O 3.12Å
544	V	85.1	Confident	66.7	Low	9 Å²	9	78.6 Å²	78.6	6%	0.055	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	113.9	172.9	-168.4	0	0	0	0	109.1	D556 I557 R558 L631 S632	V544-D556 HydrophobicContact CG1-CB 4.02Å; V544-I557 CarbonylContact C-O 3.53Å; V544-I557 WeakPolarHBondContact CA-O 3.19Å; V544-R558 HydrophobicContact CG1-CG 4.12Å; V544-R558 HydrophobicContact CG2-CG 4.08Å; V544-L631 CarbonylContact O-C 3.5Å; V544-L631 WeakPolarHBondContact O-CA 3.43Å; V544-S632 PolarHBondContact N-O 2.89Å; V544-S632 PolarHBondContact O-N 2.88Å; V544-S632 PolarHBondContact O-OG 3.47Å
545	L	87	Confident	69.1	Low	1 Å²	1	76.2 Å²	76.2	1%	0.005	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	109.1	170.2	-179.6	65.9	0	0	0	109.3	L547 I557 F559 L575 V581 V589 F608 A629 L631	L545-L547 HydrophobicContact CD2-CD2 4.13Å; L545-L547 HydrophobicContact CG-CD2 3.99Å; L545-I557 HydrophobicContact CB-CB 4.47Å; L545-I557 HydrophobicContact CD2-CD1 4.36Å; L545-I557 PolarHBondContact N-O 2.89Å; L545-I557 PolarHBondContact O-N 3.05Å; L545-F559 HydrophobicContact CB-CE1 3.86Å; L545-L575 HydrophobicContact CD2-CD1 4.13Å; L545-V581 HydrophobicContact CD2-CG2 3.9Å; L545-V589 HydrophobicContact CD2-CG1 3.9Å; L545-V589 HydrophobicContact CD2-CG2 4.47Å; L545-F608 HydrophobicContact CD1-CE1 4.31Å; L545-F608 HydrophobicContact CD1-CZ 3.99Å; L545-A629 HydrophobicContact CD1-CB 4.23Å; L545-L631 HydrophobicContact CB-CD1 3.97Å; L545-L631 HydrophobicContact CD1-CB 4.16Å; L545-L631 HydrophobicContact CD1-CD1 4.24Å
546	R	89.9	Confident	71.4	Confident	81 Å²	81	72.8 Å²	72.8	31%	0.306	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.3	174.9	175.2	178.6	-76.2	144.3	4.6	110.4	L554 N555 D556 L625 A629 Q630	R546-L554 HydrophobicContact CG-CD2 4.41Å; R546-N555 VanDerWaalsContact CA-O 3.32Å; R546-N555 WeakPolarHBondContact CA-O 3.31Å; R546-D556 IonicContact CZ-OD1 3.67Å; R546-D556 VanDerWaalsContact CZ-OD1 3.3Å; R546-D556 IonicContact CZ-OD2 2.71Å; R546-D556 IonicContact NE-OD1 3.64Å; R546-D556 PolarHBondContact NE-OD1 3.05Å; R546-D556 IonicContact NE-OD2 2.65Å; R546-D556 VanDerWaalsContact NH2-CG 3.28Å; R546-D556 IonicContact NH2-OD1 2.66Å; R546-D556 PolarHBondContact NH2-OD1 3.21Å; R546-D556 IonicContact NH2-OD2 2.8Å; R546-D556 PolarHBondContact NH2-OD2 3.08Å; R546-L625 HydrophobicContact CB-CD1 4.37Å; R546-L625 HydrophobicContact CG-CD1 3.6Å; R546-A629 CarbonylContact O-C 3.52Å; R546-A629 WeakPolarHBondContact O-CA 3.3Å; R546-Q630 HydrophobicContact CB-CB 4.4Å; R546-Q630 PolarHBondContact N-O 3.18Å; R546-Q630 PolarHBondContact O-N 3.22Å
547	L	87.8	Confident	73.5	Confident	12 Å²	12	65 Å²	65	6%	0.063	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	172.3	171	71.6	156.1	0	0	0	111.4	L545 N555 I557 L610 A629	L545-L547 HydrophobicContact CD2-CD2 4.13Å; L545-L547 HydrophobicContact CG-CD2 3.99Å; L547-N555 PolarHBondContact N-O 2.99Å; L547-N555 VanDerWaalsContact N-O 3.15Å; L547-N555 PolarHBondContact O-N 3.01Å; L547-I557 HydrophobicContact CD2-CD1 3.55Å; L547-I557 HydrophobicContact CD2-CG1 4.49Å; L547-L610 HydrophobicContact CD1-CD1 4.39Å; L547-A629 HydrophobicContact CB-CB 3.79Å
548	R	82.6	Confident	75.3	Confident	73 Å²	73	66.5 Å²	66.5	28%	0.275	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	133.9	171.9	-73.8	-178.2	-178	-103.9	-5	111.3	K552 E553 L554 K624 L625	R548-K552 PolarHBondContact NH1-O 3.04Å; R548-E553 CarbonylContact C-O 3.57Å; R548-E553 VanDerWaalsContact CA-O 3.3Å; R548-E553 WeakPolarHBondContact CA-O 3.46Å; R548-L554 HydrophobicContact CG-CD2 3.78Å; R548-L554 HydrophobicContact CG-CG 4.49Å; R548-K624 VanDerWaalsContact CZ-O 3.31Å; R548-K624 PolarHBondContact NE-O 3.15Å; R548-K624 PolarHBondContact NH2-O 3.46Å; R548-L625 WeakPolarHBondContact CD-O 3.41Å; R548-L625 VanDerWaalsContact CG-O 3.32Å; R548-L625 WeakPolarHBondContact CG-O 3.44Å; R548-L625 PolarHBondContact NE-O 2.92Å; R548-L625 VanDerWaalsContact NE-O 3.1Å
549	N	74.6	Confident	76.8	Confident	50 Å²	50	57.5 Å²	57.5	27%	0.267	30%	0.296	S	S	.	.			trans	-78.5	174.2	171.1	73.3	12.6	0	0	0	111.4	K551 K552 E553	N549-K551 PolarHBondContact O-N 2.96Å; N549-K551 VanDerWaalsContact OD1-CA 3.32Å; N549-K551 WeakPolarHBondContact OD1-CA 3.36Å; N549-K551 VanDerWaalsContact OD1-CB 3.31Å; N549-K551 WeakPolarHBondContact OD1-CB 3.34Å; N549-K551 PolarHBondContact OD1-N 3.32Å; N549-K552 WeakPolarHBondContact O-CA 3.38Å; N549-K552 PolarHBondContact O-N 2.98Å; N549-K552 PolarHBondContact OD1-N 2.91Å; N549-E553 PolarHBondContact N-O 3.41Å; N549-E553 PolarHBondContact ND2-OE2 3.43Å; N549-E553 PolarHBondContact OD1-N 3.4Å; N549-E553 PolarHBondContact OD1-O 3.39Å
550	S	67.2	Low	77.7	Confident	130 Å²	130	59.5 Å²	59.5	91%	0.909	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-0.5	177.1	54.8	0	0	0	0	115.6
551	K	64.6	Low	78.3	Confident	153 Å²	153	57.9 Å²	57.9	67%	0.665	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	6.9	170.1	-54.6	166	-176.7	166	0	112.3	N549 E553	N549-K551 PolarHBondContact O-N 2.96Å; N549-K551 VanDerWaalsContact OD1-CA 3.32Å; N549-K551 WeakPolarHBondContact OD1-CA 3.36Å; N549-K551 VanDerWaalsContact OD1-CB 3.31Å; N549-K551 WeakPolarHBondContact OD1-CB 3.34Å; N549-K551 PolarHBondContact OD1-N 3.32Å; K551-E553 HydrophobicContact CB-CG 4.12Å; K551-E553 VanDerWaalsContact CD-OE2 3.25Å; K551-E553 WeakPolarHBondContact CD-OE2 3.43Å; K551-E553 PolarHBondContact O-N 2.96Å
552	K	74.9	Confident	78.4	Confident	73 Å²	73	58.8 Å²	58.8	32%	0.317	29%	0.287	S	S	.	.	S	Bend	trans	65	17.6	-175	-57.6	159.1	177.2	-80.5	0	114	R548 N549 D615 E618	R548-K552 PolarHBondContact NH1-O 3.04Å; N549-K552 WeakPolarHBondContact O-CA 3.38Å; N549-K552 PolarHBondContact O-N 2.98Å; N549-K552 PolarHBondContact OD1-N 2.91Å; K552-D615 WeakPolarHBondContact CE-OD2 3.35Å; K552-D615 IonicContact NZ-OD2 2.7Å; K552-D615 PolarHBondContact NZ-OD2 3.25Å; K552-E618 WeakPolarHBondContact CD-OE1 3.42Å; K552-E618 IonicContact NZ-OE1 2.67Å; K552-E618 PolarHBondContact NZ-OE1 3.32Å; K552-E618 IonicContact NZ-OE2 2.62Å; K552-E618 PolarHBondContact NZ-OE2 3.04Å
553	E	76.3	Confident	78.1	Confident	105 Å²	105	57.7 Å²	57.7	49%	0.491	28%	0.284	S	S	.	.			trans	-88	143.3	174.7	-55	164.7	138.5	0	0	109.7	R548 N549 K551	R548-E553 CarbonylContact C-O 3.57Å; R548-E553 VanDerWaalsContact CA-O 3.3Å; R548-E553 WeakPolarHBondContact CA-O 3.46Å; N549-E553 PolarHBondContact N-O 3.41Å; N549-E553 PolarHBondContact ND2-OE2 3.43Å; N549-E553 PolarHBondContact OD1-N 3.4Å; N549-E553 PolarHBondContact OD1-O 3.39Å; K551-E553 HydrophobicContact CB-CG 4.12Å; K551-E553 VanDerWaalsContact CD-OE2 3.25Å; K551-E553 WeakPolarHBondContact CD-OE2 3.43Å; K551-E553 PolarHBondContact O-N 2.96Å
554	L	76.5	Confident	77.4	Confident	87 Å²	87	61.8 Å²	61.8	46%	0.455	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	130.3	171.2	-69.3	170.6	0	0	0	109.7	R546 R548 L625	R546-L554 HydrophobicContact CG-CD2 4.41Å; R548-L554 HydrophobicContact CG-CD2 3.78Å; R548-L554 HydrophobicContact CG-CG 4.49Å; L554-L625 HydrophobicContact CD2-CB 3.94Å; L554-L625 HydrophobicContact CD2-CD1 4.2Å
555	N	77.4	Confident	76.6	Confident	63 Å²	63	69.3 Å²	69.3	34%	0.337	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129.7	-180	-173.3	43.6	0	0	0	109.9	R546 L547	R546-N555 VanDerWaalsContact CA-O 3.32Å; R546-N555 WeakPolarHBondContact CA-O 3.31Å; L547-N555 PolarHBondContact N-O 2.99Å; L547-N555 VanDerWaalsContact N-O 3.15Å; L547-N555 PolarHBondContact O-N 3.01Å
556	D	81.2	Confident	75.8	Confident	53 Å²	53	70.1 Å²	70.1	28%	0.283	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	101.7	178.8	-76.6	16.7	0	0	0	109.4	V544 R546 R558	V544-D556 HydrophobicContact CG1-CB 4.02Å; R546-D556 IonicContact CZ-OD1 3.67Å; R546-D556 VanDerWaalsContact CZ-OD1 3.3Å; R546-D556 IonicContact CZ-OD2 2.71Å; R546-D556 IonicContact NE-OD1 3.64Å; R546-D556 PolarHBondContact NE-OD1 3.05Å; R546-D556 IonicContact NE-OD2 2.65Å; R546-D556 VanDerWaalsContact NH2-CG 3.28Å; R546-D556 IonicContact NH2-OD1 2.66Å; R546-D556 PolarHBondContact NH2-OD1 3.21Å; R546-D556 IonicContact NH2-OD2 2.8Å; R546-D556 PolarHBondContact NH2-OD2 3.08Å; D556-R558 IonicContact OD2-NH2 2.59Å
557	I	79	Confident	75.5	Confident	14 Å²	14	70.3 Å²	70.3	7%	0.072	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	116.6	175.5	-51.6	159.8	0	0	0	108	V544 L545 L547 F559 L575 L580	V544-I557 CarbonylContact C-O 3.53Å; V544-I557 WeakPolarHBondContact CA-O 3.19Å; L545-I557 HydrophobicContact CB-CB 4.47Å; L545-I557 HydrophobicContact CD2-CD1 4.36Å; L545-I557 PolarHBondContact N-O 2.89Å; L545-I557 PolarHBondContact O-N 3.05Å; L547-I557 HydrophobicContact CD2-CD1 3.55Å; L547-I557 HydrophobicContact CD2-CG1 4.49Å; I557-F559 HydrophobicContact CG2-CD1 4.19Å; I557-L575 HydrophobicContact CG2-CD2 3.83Å; I557-L580 HydrophobicContact CD1-CB 3.75Å; I557-L580 HydrophobicContact CG1-CB 4.49Å; I557-L580 HydrophobicContact CG2-CD1 4.04Å
558	R	76.6	Confident	75.2	Confident	128 Å²	128	69.8 Å²	69.8	48%	0.483	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.9	177.3	-57.1	-172.6	177.8	-104.7	-12.9	109.8	M543 V544 D556	M543-R558 WeakPolarHBondContact O-CA 3.38Å; V544-R558 HydrophobicContact CG1-CG 4.12Å; V544-R558 HydrophobicContact CG2-CG 4.08Å; D556-R558 IonicContact OD2-NH2 2.59Å
559	F	74.9	Confident	74.9	Confident	7 Å²	7	70.7 Å²	70.7	3%	0.031	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	158.4	179.6	57.6	-82.2	0	0	0	110	M543 L545 I557 V571 L593 L631	M543-F559 HydrophobicContact CB-CD2 4.26Å; M543-F559 HydrophobicContact CB-CE1 4.16Å; M543-F559 HydrophobicContact CB-CE2 3.68Å; M543-F559 HydrophobicContact CB-CZ 3.6Å; M543-F559 HydrophobicContact CG-CE2 4.27Å; M543-F559 HydrophobicContact CG-CZ 4.49Å; M543-F559 PolarHBondContact N-O 3.02Å; M543-F559 PolarHBondContact O-N 2.69Å; M543-F559 VanDerWaalsContact O-N 3.08Å; M543-F559 HydrophobicContact SD-CE2 3.96Å; M543-F559 HydrophobicContact SD-CZ 4.23Å; L545-F559 HydrophobicContact CB-CE1 3.86Å; I557-F559 HydrophobicContact CG2-CD1 4.19Å; F559-V571 HydrophobicContact CD2-CG1 4.05Å; F559-V571 HydrophobicContact CE2-CG1 3.95Å; F559-L593 HydrophobicContact CE2-CD2 3.84Å; F559-L593 HydrophobicContact CZ-CD2 3.69Å; F559-L631 HydrophobicContact CE1-CD1 4.48Å; F559-L631 HydrophobicContact CZ-CD1 3.97Å
560	E	77.2	Confident	74.7	Confident	80 Å²	80	69.3 Å²	69.3	37%	0.374	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	136.7	175.1	-178.4	170.7	-107.1	0	0	109.7	A540	A540-E560 VanDerWaalsContact CB-CD 3.4Å; A540-E560 HydrophobicContact CB-CG 3.44Å; A540-E560 VanDerWaalsContact CB-CG 3.44Å; A540-E560 WeakPolarHBondContact CB-OE1 3.45Å
561	F	77.1	Confident	75.1	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.018	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.3	176.6	-176.4	-79.8	0	0	0	109.6	V541 M543 P563 D566 V571 V597	V541-F561 PolarHBondContact N-O 3.4Å; V541-F561 PolarHBondContact O-N 3.38Å; M543-F561 HydrophobicContact CE-CB 3.85Å; M543-F561 HydrophobicContact CE-CD1 4.4Å; M543-F561 HydrophobicContact CE-CG 4.09Å; M543-F561 HydrophobicContact SD-CB 4.23Å; F561-P563 HydrophobicContact CD1-CG 4.29Å; F561-P563 HydrophobicContact CE1-CG 4.34Å; F561-P563 WeakPolarHBondContact O-CD 3.43Å; F561-D566 HydrophobicContact CD2-CB 4.3Å; F561-D566 HydrophobicContact CE2-CB 4.15Å; F561-D566 HydrophobicContact CZ-CB 4.43Å; F561-D566 WeakPolarHBondContact CZ-O 3.49Å; F561-V571 HydrophobicContact CD2-CG2 3.93Å; F561-V571 HydrophobicContact CE2-CG2 4.09Å; F561-V597 HydrophobicContact CD1-CG1 4.4Å; F561-V597 HydrophobicContact CD1-CG2 3.63Å; F561-V597 HydrophobicContact CD2-CG2 4.4Å; F561-V597 HydrophobicContact CE1-CB 4.22Å; F561-V597 HydrophobicContact CE1-CG1 3.7Å; F561-V597 HydrophobicContact CE1-CG2 3.39Å; F561-V597 HydrophobicContact CE2-CG2 4.2Å; F561-V597 HydrophobicContact CG-CG2 4.15Å; F561-V597 HydrophobicContact CZ-CG1 4.32Å; F561-V597 HydrophobicContact CZ-CG2 3.72Å
562	T	77.9	Confident	75.8	Confident	37 Å²	37	56.3 Å²	56.3	23%	0.227	30%	0.302	C	S	.	.			trans	-104.5	106.5	179.6	-51.9	0	0	0	0	110.9	G564 R565 D566	T562-G564 PolarHBondContact O-N 3.48Å; T562-R565 HydrophobicContact CG2-CB 3.95Å; T562-R565 PolarHBondContact O-N 2.84Å; T562-D566 VanDerWaalsContact CB-OD2 3.23Å; T562-D566 WeakPolarHBondContact CB-OD2 3.43Å; T562-D566 PolarHBondContact N-OD2 2.88Å; T562-D566 PolarHBondContact O-N 3.03Å; T562-D566 PolarHBondContact OG1-OD2 2.9Å
563	P	71.5	Confident	75.5	Confident	49 Å²	49	57.5 Å²	57.5	32%	0.318	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-55.4	128.5	178.2	-25.1	35	0	0	0	112	V541 F561 R565	V541-P563 HydrophobicContact CG2-CG 4.4Å; F561-P563 HydrophobicContact CD1-CG 4.29Å; F561-P563 HydrophobicContact CE1-CG 4.34Å; F561-P563 WeakPolarHBondContact O-CD 3.43Å; P563-R565 VanDerWaalsContact C-N 3.32Å; P563-R565 PolarHBondContact O-N 2.73Å
564	G	66.3	Low	75	Confident	89 Å²	89	56.2 Å²	56.2	92%	0.918	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-7.3	-178	0	0	0	0	0	115.6	T562	T562-G564 PolarHBondContact O-N 3.48Å
565	R	68.4	Low	74.9	Confident	166 Å²	166	52.6 Å²	52.6	63%	0.626	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-45.6	168.2	-176.5	-171	-174.5	-166.9	2.5	111.6	T562 P563	T562-R565 HydrophobicContact CG2-CB 3.95Å; T562-R565 PolarHBondContact O-N 2.84Å; P563-R565 VanDerWaalsContact C-N 3.32Å; P563-R565 PolarHBondContact O-N 2.73Å
566	D	70.4	Confident	74.9	Confident	19 Å²	19	55 Å²	55	10%	0.102	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-101.9	151	178.3	-51.8	-67.9	0	0	0	110.2	K470 F561 T562 V571	K470-D566 IonicContact NZ-OD1 2.64Å; K470-D566 PolarHBondContact NZ-OD1 2.96Å; F561-D566 HydrophobicContact CD2-CB 4.3Å; F561-D566 HydrophobicContact CE2-CB 4.15Å; F561-D566 HydrophobicContact CZ-CB 4.43Å; F561-D566 WeakPolarHBondContact CZ-O 3.49Å; T562-D566 VanDerWaalsContact CB-OD2 3.23Å; T562-D566 WeakPolarHBondContact CB-OD2 3.43Å; T562-D566 PolarHBondContact N-OD2 2.88Å; T562-D566 PolarHBondContact O-N 3.03Å; T562-D566 PolarHBondContact OG1-OD2 2.9Å; D566-V571 HydrophobicContact CB-CG2 3.98Å
567	T	83.2	Confident	73.8	Confident	85 Å²	85	57.2 Å²	57.2	52%	0.521	31%	0.309	S	S	.	.			trans	-117.1	149.7	174.4	63.3	0	0	0	0	110.3	D569 G570 V571	T567-D569 VanDerWaalsContact C-N 3.32Å; T567-D569 PolarHBondContact O-N 3.01Å; T567-G570 PolarHBondContact O-N 3.11Å; T567-G570 VanDerWaalsContact O-N 3.16Å; T567-G570 PolarHBondContact OG1-N 3.25Å; T567-G570 VanDerWaalsContact OG1-N 3.15Å; T567-V571 WeakPolarHBondContact O-CG2 3.38Å; T567-V571 PolarHBondContact O-N 2.89Å
568	A	81.9	Confident	72.9	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-61.4	-39.7	-178.3	0	0	0	0	0	112.7	S572 A590 L593 Q594	A568-S572 WeakPolarHBondContact O-CB 3.3Å; A568-S572 PolarHBondContact O-N 2.99Å; A568-A590 WeakPolarHBondContact CB-O 3.22Å; A568-L593 HydrophobicContact CB-CB 3.8Å; A568-Q594 HydrophobicContact CB-CB 3.81Å; A568-Q594 VanDerWaalsContact CB-OE1 3.29Å
569	D	75.3	Confident	72.6	Confident	92 Å²	92	56.8 Å²	56.8	49%	0.492	34%	0.341	S	S	.	.	H	α-helix	trans	-64.2	-42.8	172.5	-62.9	-85.6	0	0	0	112.6	T567 S572 Q573	T567-D569 VanDerWaalsContact C-N 3.32Å; T567-D569 PolarHBondContact O-N 3.01Å; D569-S572 PolarHBondContact O-N 3.28Å; D569-Q573 WeakPolarHBondContact O-CB 3.07Å; D569-Q573 VanDerWaalsContact O-CG 3.26Å; D569-Q573 WeakPolarHBondContact O-CG 3.5Å; D569-Q573 PolarHBondContact O-N 2.89Å
570	G	70.1	Confident	72.4	Confident	22 Å²	22	59.6 Å²	59.6	23%	0.227	36%	0.356	C	S	.	.	H	α-helix	trans	-60.9	-54.1	177.8	0	0	0	0	0	111.7	T567 S572 Q573 E574	T567-G570 PolarHBondContact O-N 3.11Å; T567-G570 VanDerWaalsContact O-N 3.16Å; T567-G570 PolarHBondContact OG1-N 3.25Å; T567-G570 VanDerWaalsContact OG1-N 3.15Å; G570-S572 VanDerWaalsContact C-N 3.27Å; G570-S572 PolarHBondContact O-N 3.5Å; G570-Q573 PolarHBondContact O-N 3.47Å; G570-Q573 VanDerWaalsContact O-N 3.13Å; G570-E574 WeakPolarHBondContact O-CG 3.34Å; G570-E574 PolarHBondContact O-N 2.94Å
571	V	76.1	Confident	72.5	Confident	9 Å²	9	56.2 Å²	56.2	6%	0.055	34%	0.341	C	S	.	.	H	α-helix	trans	-58.9	-38.9	177.3	173.8	0	0	0	0	111.2	F559 F561 D566 T567 E574 L575 L593	F559-V571 HydrophobicContact CD2-CG1 4.05Å; F559-V571 HydrophobicContact CE2-CG1 3.95Å; F561-V571 HydrophobicContact CD2-CG2 3.93Å; F561-V571 HydrophobicContact CE2-CG2 4.09Å; D566-V571 HydrophobicContact CB-CG2 3.98Å; T567-V571 WeakPolarHBondContact O-CG2 3.38Å; T567-V571 PolarHBondContact O-N 2.89Å; V571-E574 PolarHBondContact O-N 2.82Å; V571-L575 HydrophobicContact CG1-CD1 4.18Å; V571-L575 WeakPolarHBondContact O-CB 3.38Å; V571-L575 VanDerWaalsContact O-CG 3.26Å; V571-L575 WeakPolarHBondContact O-CG 3.49Å; V571-L575 PolarHBondContact O-N 2.86Å; V571-L593 HydrophobicContact CG1-CD1 4.27Å
572	S	78.8	Confident	72.7	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-72.1	-31.2	177.8	-163.1	0	0	0	0	114.1	A568 D569 G570 Y576 V586 V589	A568-S572 WeakPolarHBondContact O-CB 3.3Å; A568-S572 PolarHBondContact O-N 2.99Å; D569-S572 PolarHBondContact O-N 3.28Å; G570-S572 VanDerWaalsContact C-N 3.27Å; G570-S572 PolarHBondContact O-N 3.5Å; S572-Y576 PolarHBondContact O-N 3.48Å; S572-V586 PolarHBondContact OG-O 3.11Å; S572-V589 WeakPolarHBondContact OG-CB 3.28Å; S572-V589 WeakPolarHBondContact OG-CG1 3.48Å
573	Q	68.6	Low	72.7	Confident	98 Å²	98	59.6 Å²	59.6	46%	0.458	37%	0.366	S	S	.	.	H	α-helix	trans	-71.5	-36.8	172	-72.1	-73.8	3.8	0	0	111.5	D569 G570 Y576 S577 V586	D569-Q573 WeakPolarHBondContact O-CB 3.07Å; D569-Q573 VanDerWaalsContact O-CG 3.26Å; D569-Q573 WeakPolarHBondContact O-CG 3.5Å; D569-Q573 PolarHBondContact O-N 2.89Å; G570-Q573 PolarHBondContact O-N 3.47Å; G570-Q573 VanDerWaalsContact O-N 3.13Å; Q573-Y576 PolarHBondContact O-N 2.92Å; Q573-S577 WeakPolarHBondContact O-CB 3.42Å; Q573-S577 PolarHBondContact O-N 2.9Å; Q573-S577 PolarHBondContact O-OG 3.3Å; Q573-V586 HydrophobicContact CG-CG1 4.01Å
574	E	66.3	Low	73.3	Confident	78 Å²	78	63 Å²	63	36%	0.364	38%	0.381	S	S	.	.	H	α-helix	trans	-64.6	-43	173.6	-72	171.4	-159	0	0	111.1	K470 W476 G570 V571 Y576 S577 A578	K470-E574 IonicContact NZ-OE2 3.67Å; W476-E574 PolarHBondContact NE1-OE2 3.44Å; G570-E574 WeakPolarHBondContact O-CG 3.34Å; G570-E574 PolarHBondContact O-N 2.94Å; V571-E574 PolarHBondContact O-N 2.82Å; E574-Y576 VanDerWaalsContact C-N 3.34Å; E574-Y576 PolarHBondContact O-N 2.64Å; E574-S577 PolarHBondContact O-N 3.49Å; E574-A578 WeakPolarHBondContact O-CB 3.39Å; E574-A578 PolarHBondContact O-N 3.38Å
575	L	74.9	Confident	74.4	Confident	12 Å²	12	58.9 Å²	58.9	6%	0.063	34%	0.338	C	S	.	.	H	α-helix	trans	-61.8	-35.8	174.1	-74.8	171.4	0	0	0	113.5	L545 I557 V571 L580 V581 V589	L545-L575 HydrophobicContact CD2-CD1 4.13Å; I557-L575 HydrophobicContact CG2-CD2 3.83Å; V571-L575 HydrophobicContact CG1-CD1 4.18Å; V571-L575 WeakPolarHBondContact O-CB 3.38Å; V571-L575 VanDerWaalsContact O-CG 3.26Å; V571-L575 WeakPolarHBondContact O-CG 3.49Å; V571-L575 PolarHBondContact O-N 2.86Å; L575-L580 HydrophobicContact CD2-CB 4.48Å; L575-L580 HydrophobicContact CD2-CD1 4.08Å; L575-L580 WeakPolarHBondContact O-CB 3.37Å; L575-L580 PolarHBondContact O-N 3.49Å; L575-V581 HydrophobicContact CB-CB 4.24Å; L575-V581 HydrophobicContact CB-CG2 3.86Å; L575-V581 HydrophobicContact CD1-CG2 4.4Å; L575-V581 PolarHBondContact O-N 2.93Å; L575-V589 HydrophobicContact CD1-CG1 4.48Å
576	Y	76.6	Confident	75.1	Confident	114 Å²	114	51.2 Å²	51.2	45%	0.447	31%	0.309	S	S	.	.	H	α-helix	trans	-71.4	-42.5	171.7	163.6	-119.2	0	0	0	112.1	S572 Q573 E574 A578 G579 V581 G583 V586	S572-Y576 PolarHBondContact O-N 3.48Å; Q573-Y576 PolarHBondContact O-N 2.92Å; E574-Y576 VanDerWaalsContact C-N 3.34Å; E574-Y576 PolarHBondContact O-N 2.64Å; Y576-A578 PolarHBondContact O-N 3.49Å; Y576-G579 WeakPolarHBondContact O-CA 3.18Å; Y576-G579 PolarHBondContact O-N 3.48Å; Y576-V581 WeakPolarHBondContact CD2-O 3.3Å; Y576-G583 VanDerWaalsContact CD2-CA 3.46Å; Y576-G583 VanDerWaalsContact CD2-N 3.35Å; Y576-G583 VanDerWaalsContact CE2-CA 3.42Å; Y576-V586 VanDerWaalsContact CB-CG2 3.46Å; Y576-V586 HydrophobicContact CD1-CG2 4.2Å; Y576-V586 HydrophobicContact CG-CG2 3.83Å
577	S	58	Low	75.8	Confident	99 Å²	99	56.5 Å²	56.5	69%	0.692	34%	0.337	S	S	*	.	H	α-helix	trans	-62.4	-32.2	177.4	-58.1	0	0	0	0	112.5	Q573 E574 G579	Q573-S577 WeakPolarHBondContact O-CB 3.42Å; Q573-S577 PolarHBondContact O-N 2.9Å; Q573-S577 PolarHBondContact O-OG 3.3Å; E574-S577 PolarHBondContact O-N 3.49Å; S577-G579 PolarHBondContact O-N 2.89Å
578	A	60.6	Low	76	Confident	66 Å²	66	55.2 Å²	55.2	55%	0.545	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-4	171.2	0	0	0	0	0	114.3	E574 Y576 L580	E574-A578 WeakPolarHBondContact O-CB 3.39Å; E574-A578 PolarHBondContact O-N 3.38Å; Y576-A578 PolarHBondContact O-N 3.49Å; A578-L580 VanDerWaalsContact C-N 3.29Å; A578-L580 HydrophobicContact CB-CD1 3.93Å; A578-L580 HydrophobicContact CB-CG 3.91Å; A578-L580 PolarHBondContact O-N 3.03Å
579	G	70.8	Confident	76.3	Confident	66 Å²	66	55.2 Å²	55.2	68%	0.68	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	19.2	-177.4	0	0	0	0	0	114.5	Y576 S577	Y576-G579 WeakPolarHBondContact O-CA 3.18Å; Y576-G579 PolarHBondContact O-N 3.48Å; S577-G579 PolarHBondContact O-N 2.89Å
580	L	71.2	Confident	76.9	Confident	67 Å²	67	50.9 Å²	50.9	35%	0.351	30%	0.303	S	S	.	.	S	Bend	trans	-93.8	-24.9	-176.2	-59	176.2	0	0	0	113.1	I557 L575 A578	I557-L580 HydrophobicContact CD1-CB 3.75Å; I557-L580 HydrophobicContact CG1-CB 4.49Å; I557-L580 HydrophobicContact CG2-CD1 4.04Å; L575-L580 HydrophobicContact CD2-CB 4.48Å; L575-L580 HydrophobicContact CD2-CD1 4.08Å; L575-L580 WeakPolarHBondContact O-CB 3.37Å; L575-L580 PolarHBondContact O-N 3.49Å; A578-L580 VanDerWaalsContact C-N 3.29Å; A578-L580 HydrophobicContact CB-CD1 3.93Å; A578-L580 HydrophobicContact CB-CG 3.91Å; A578-L580 PolarHBondContact O-N 3.03Å
581	V	77.7	Confident	77.7	Confident	8 Å²	8	52.3 Å²	52.3	5%	0.048	31%	0.312	C	S	.	.	S	Bend	trans	-123.8	148.1	176	171.4	0	0	0	0	108.8	L545 L575 Y576 D585 V589	L545-V581 HydrophobicContact CD2-CG2 3.9Å; L575-V581 HydrophobicContact CB-CB 4.24Å; L575-V581 HydrophobicContact CB-CG2 3.86Å; L575-V581 HydrophobicContact CD1-CG2 4.4Å; L575-V581 PolarHBondContact O-N 2.93Å; Y576-V581 WeakPolarHBondContact CD2-O 3.3Å; V581-D585 HydrophobicContact CG1-CB 3.96Å; V581-V589 HydrophobicContact CG1-CG2 3.98Å
582	N	82.1	Confident	78.4	Confident	79 Å²	79	52.3 Å²	52.3	42%	0.422	31%	0.312	S	S	.	.			trans	-76	143.4	176.9	-173	-19	0	0	0	110.4	L584 D585 V586 S612	N582-L584 PolarHBondContact O-N 2.65Å; N582-L584 VanDerWaalsContact O-N 3.14Å; N582-L584 PolarHBondContact OD1-N 3.32Å; N582-D585 HydrophobicContact CB-CB 4.44Å; N582-D585 WeakPolarHBondContact CB-OD2 3.43Å; N582-D585 WeakPolarHBondContact O-CA 3.22Å; N582-D585 PolarHBondContact O-N 2.85Å; N582-V586 PolarHBondContact O-N 3.29Å; N582-S612 VanDerWaalsContact ND2-CB 3.31Å; N582-S612 WeakPolarHBondContact ND2-CB 3.27Å
583	G	79	Confident	78.7	Confident	34 Å²	34	52.3 Å²	52.3	35%	0.351	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-28.3	178.8	0	0	0	0	0	114.1	Y576 D585	Y576-G583 VanDerWaalsContact CD2-CA 3.46Å; Y576-G583 VanDerWaalsContact CD2-N 3.35Å; Y576-G583 VanDerWaalsContact CE2-CA 3.42Å; G583-D585 VanDerWaalsContact C-N 3.28Å; G583-D585 PolarHBondContact O-N 3.48Å
584	L	83.6	Confident	79.6	Confident	121 Å²	121	50.8 Å²	50.8	63%	0.634	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-25.4	172.8	-63.2	177.8	0	0	0	113.3	N582	N582-L584 PolarHBondContact O-N 2.65Å; N582-L584 VanDerWaalsContact O-N 3.14Å; N582-L584 PolarHBondContact OD1-N 3.32Å
585	D	88.4	Confident	80.5	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.011	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-7.1	-172.7	-66.3	-43.2	0	0	0	113.8	V581 N582 G583 L587 I588 V589 L610 A611 S612	V581-D585 HydrophobicContact CG1-CB 3.96Å; N582-D585 HydrophobicContact CB-CB 4.44Å; N582-D585 WeakPolarHBondContact CB-OD2 3.43Å; N582-D585 WeakPolarHBondContact O-CA 3.22Å; N582-D585 PolarHBondContact O-N 2.85Å; G583-D585 VanDerWaalsContact C-N 3.28Å; G583-D585 PolarHBondContact O-N 3.48Å; D585-L587 VanDerWaalsContact C-N 3.35Å; D585-L587 PolarHBondContact O-N 3.11Å; D585-I588 HydrophobicContact CB-CG2 4.24Å; D585-I588 VanDerWaalsContact O-CG2 3.29Å; D585-I588 WeakPolarHBondContact O-CG2 3.37Å; D585-I588 PolarHBondContact O-N 3.14Å; D585-I588 VanDerWaalsContact O-N 3.12Å; D585-V589 HydrophobicContact CB-CG2 4.44Å; D585-V589 WeakPolarHBondContact O-CG2 3.43Å; D585-V589 PolarHBondContact O-N 2.62Å; D585-L610 HydrophobicContact CB-CD2 4.11Å; D585-L610 WeakPolarHBondContact OD1-CB 3.27Å; D585-A611 WeakPolarHBondContact OD1-CA 3.46Å; D585-A611 PolarHBondContact OD1-N 2.82Å; D585-S612 PolarHBondContact OD1-N 2.9Å; D585-S612 PolarHBondContact OD1-OG 2.86Å; D585-S612 VanDerWaalsContact OD2-CB 3.26Å; D585-S612 WeakPolarHBondContact OD2-CB 3.42Å; D585-S612 PolarHBondContact OD2-OG 3.43Å
586	V	83.8	Confident	81	Confident	5 Å²	5	51 Å²	51	3%	0.03	30%	0.304	C	S	.	.	H	α-helix	trans	-54.9	-47.9	-175.8	175.2	0	0	0	0	112.2	S572 Q573 Y576 N582 I588 V589 A590	S572-V586 PolarHBondContact OG-O 3.11Å; Q573-V586 HydrophobicContact CG-CG1 4.01Å; Y576-V586 VanDerWaalsContact CB-CG2 3.46Å; Y576-V586 HydrophobicContact CD1-CG2 4.2Å; Y576-V586 HydrophobicContact CG-CG2 3.83Å; N582-V586 PolarHBondContact O-N 3.29Å; V586-I588 VanDerWaalsContact C-N 3.33Å; V586-I588 PolarHBondContact O-N 2.91Å; V586-V589 PolarHBondContact O-N 2.7Å; V586-A590 VanDerWaalsContact O-CB 3.3Å; V586-A590 WeakPolarHBondContact O-CB 3.33Å; V586-A590 PolarHBondContact O-N 3.07Å
587	L	84.7	Confident	81.3	Confident	130 Å²	130	47 Å²	47	68%	0.681	29%	0.291	S	S	*	.	H	α-helix	trans	-67.1	-33.1	-178.5	-62.4	177.1	0	0	0	112.6	D585 A591	D585-L587 VanDerWaalsContact C-N 3.35Å; D585-L587 PolarHBondContact O-N 3.11Å; L587-A591 VanDerWaalsContact O-CB 3.24Å; L587-A591 WeakPolarHBondContact O-CB 3.29Å; L587-A591 PolarHBondContact O-N 3.3Å
588	I	88.3	Confident	82.3	Confident	57 Å²	57	47.7 Å²	47.7	29%	0.292	29%	0.287	S	S	.	.	H	α-helix	trans	-84.1	-25.8	179.9	-159.9	154.2	0	0	0	112.2	D585 V586 N592 F608 K609 A611	D585-I588 HydrophobicContact CB-CG2 4.24Å; D585-I588 VanDerWaalsContact O-CG2 3.29Å; D585-I588 WeakPolarHBondContact O-CG2 3.37Å; D585-I588 PolarHBondContact O-N 3.14Å; D585-I588 VanDerWaalsContact O-N 3.12Å; V586-I588 VanDerWaalsContact C-N 3.33Å; V586-I588 PolarHBondContact O-N 2.91Å; I588-N592 WeakPolarHBondContact O-CB 3.37Å; I588-N592 PolarHBondContact O-N 3.26Å; I588-N592 PolarHBondContact O-ND2 3.36Å; I588-F608 HydrophobicContact CG1-CD2 4.25Å; I588-K609 VanDerWaalsContact CD1-O 3.26Å; I588-K609 WeakPolarHBondContact CD1-O 3.4Å; I588-A611 HydrophobicContact CG2-CB 4.38Å
589	V	86.9	Confident	83.2	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-71.7	-47.9	168.3	171.3	0	0	0	0	110	L545 S572 L575 V581 D585 V586 A591 N592 L593 F608	L545-V589 HydrophobicContact CD2-CG1 3.9Å; L545-V589 HydrophobicContact CD2-CG2 4.47Å; S572-V589 WeakPolarHBondContact OG-CB 3.28Å; S572-V589 WeakPolarHBondContact OG-CG1 3.48Å; L575-V589 HydrophobicContact CD1-CG1 4.48Å; V581-V589 HydrophobicContact CG1-CG2 3.98Å; D585-V589 HydrophobicContact CB-CG2 4.44Å; D585-V589 WeakPolarHBondContact O-CG2 3.43Å; D585-V589 PolarHBondContact O-N 2.62Å; V586-V589 PolarHBondContact O-N 2.7Å; V589-A591 PolarHBondContact O-N 2.97Å; V589-N592 PolarHBondContact O-N 3.49Å; V589-L593 HydrophobicContact CG1-CD1 3.81Å; V589-L593 HydrophobicContact CG1-CG 4.32Å; V589-L593 WeakPolarHBondContact O-CB 3.46Å; V589-L593 WeakPolarHBondContact O-CG 3.27Å; V589-L593 PolarHBondContact O-N 2.99Å; V589-F608 HydrophobicContact CG2-CE2 3.96Å; V589-F608 HydrophobicContact CG2-CZ 4.06Å
590	A	87.6	Confident	83.1	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-55.3	-51.5	173.9	0	0	0	0	0	112.7	A568 V586 N592 L593 Q594	A568-A590 WeakPolarHBondContact CB-O 3.22Å; V586-A590 VanDerWaalsContact O-CB 3.3Å; V586-A590 WeakPolarHBondContact O-CB 3.33Å; V586-A590 PolarHBondContact O-N 3.07Å; A590-N592 PolarHBondContact O-N 3.42Å; A590-N592 VanDerWaalsContact O-N 3.12Å; A590-L593 WeakPolarHBondContact O-CB 3.47Å; A590-L593 PolarHBondContact O-N 2.85Å; A590-Q594 PolarHBondContact O-N 2.86Å
591	A	88.1	Confident	83	Confident	51 Å²	51	49.4 Å²	49.4	42%	0.421	27%	0.272	S	S	.	.	H	α-helix	trans	-64.8	-18.6	-178.9	0	0	0	0	0	114.3	L587 V589 K595	L587-A591 VanDerWaalsContact O-CB 3.24Å; L587-A591 WeakPolarHBondContact O-CB 3.29Å; L587-A591 PolarHBondContact O-N 3.3Å; V589-A591 PolarHBondContact O-N 2.97Å; A591-K595 VanDerWaalsContact O-CE 3.28Å; A591-K595 WeakPolarHBondContact O-CE 3.48Å; A591-K595 WeakPolarHBondContact O-CG 3.41Å
592	N	90	Very high	82.8	Confident	9 Å²	9	53.4 Å²	53.4	5%	0.048	30%	0.297	C	S	.	.	H	α-helix	trans	-101	-24.5	176.9	-72.8	-51.4	0	0	0	112.9	I588 V589 A590 K595 I596 L606 F608	I588-N592 WeakPolarHBondContact O-CB 3.37Å; I588-N592 PolarHBondContact O-N 3.26Å; I588-N592 PolarHBondContact O-ND2 3.36Å; V589-N592 PolarHBondContact O-N 3.49Å; A590-N592 PolarHBondContact O-N 3.42Å; A590-N592 VanDerWaalsContact O-N 3.12Å; N592-K595 PolarHBondContact OD1-NZ 3.48Å; N592-I596 PolarHBondContact O-N 3.38Å; N592-L606 HydrophobicContact CB-CD2 3.69Å; N592-L606 WeakPolarHBondContact OD1-CD2 3.43Å; N592-F608 HydrophobicContact CB-CD1 3.8Å; N592-F608 HydrophobicContact CB-CD2 4.4Å; N592-F608 HydrophobicContact CB-CE1 3.82Å; N592-F608 HydrophobicContact CB-CE2 4.41Å; N592-F608 HydrophobicContact CB-CG 4.1Å; N592-F608 HydrophobicContact CB-CZ 4.13Å; N592-F608 VanDerWaalsContact ND2-CD2 3.31Å; N592-F608 WeakPolarHBondContact ND2-CD2 3.32Å; N592-F608 VanDerWaalsContact ND2-CG 3.3Å; N592-F608 WeakPolarHBondContact ND2-CG 3.38Å
593	L	86.3	Confident	82.5	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-58.5	-52.4	161.4	-79.5	163.9	0	0	0	110.3	M543 F559 A568 V571 V589 A590 K595 I596 V597 L631	M543-L593 HydrophobicContact SD-CD2 3.76Å; F559-L593 HydrophobicContact CE2-CD2 3.84Å; F559-L593 HydrophobicContact CZ-CD2 3.69Å; A568-L593 HydrophobicContact CB-CB 3.8Å; V571-L593 HydrophobicContact CG1-CD1 4.27Å; V589-L593 HydrophobicContact CG1-CD1 3.81Å; V589-L593 HydrophobicContact CG1-CG 4.32Å; V589-L593 WeakPolarHBondContact O-CB 3.46Å; V589-L593 WeakPolarHBondContact O-CG 3.27Å; V589-L593 PolarHBondContact O-N 2.99Å; A590-L593 WeakPolarHBondContact O-CB 3.47Å; A590-L593 PolarHBondContact O-N 2.85Å; L593-K595 VanDerWaalsContact C-N 3.33Å; L593-K595 PolarHBondContact O-N 3.01Å; L593-I596 PolarHBondContact O-N 3.4Å; L593-V597 WeakPolarHBondContact O-CG2 3.34Å; L593-V597 PolarHBondContact O-N 3.4Å; L593-L631 HydrophobicContact CB-CD2 4.38Å; L593-L631 HydrophobicContact CD2-CD1 4.01Å; L593-L631 HydrophobicContact CD2-CD2 3.63Å; L593-L631 HydrophobicContact CG-CD2 3.98Å
594	Q	86.9	Confident	82.4	Confident	67 Å²	67	57.7 Å²	57.7	31%	0.313	30%	0.3	S	S	.	.	H	α-helix	trans	-58.9	-42.5	-176.4	-164.4	59.4	54.4	0	0	112.1	A568 A590 I596 V597 D598	A568-Q594 HydrophobicContact CB-CB 3.81Å; A568-Q594 VanDerWaalsContact CB-OE1 3.29Å; A590-Q594 PolarHBondContact O-N 2.86Å; Q594-I596 VanDerWaalsContact C-N 3.29Å; Q594-I596 PolarHBondContact O-N 3.04Å; Q594-V597 CarbonylContact O-C 3.58Å; Q594-V597 WeakPolarHBondContact O-CA 3.48Å; Q594-V597 WeakPolarHBondContact O-CB 3.18Å; Q594-V597 PolarHBondContact O-N 3.05Å; Q594-D598 PolarHBondContact NE2-OD1 2.86Å; Q594-D598 WeakPolarHBondContact O-CB 3.47Å; Q594-D598 PolarHBondContact O-N 3.05Å
595	K	85.4	Confident	82.5	Confident	94 Å²	94	56 Å²	56	41%	0.409	30%	0.295	S	S	.	.	H	α-helix	trans	-58.2	-37	174.6	-67.4	169.6	-165	166.4	0	113.9	A591 N592 L593 D599 Y603	A591-K595 VanDerWaalsContact O-CE 3.28Å; A591-K595 WeakPolarHBondContact O-CE 3.48Å; A591-K595 WeakPolarHBondContact O-CG 3.41Å; N592-K595 PolarHBondContact OD1-NZ 3.48Å; L593-K595 VanDerWaalsContact C-N 3.33Å; L593-K595 PolarHBondContact O-N 3.01Å; K595-D599 PolarHBondContact O-N 3.4Å; K595-D599 VanDerWaalsContact O-N 3.11Å; K595-Y603 WeakPolarHBondContact O-CD2 3.42Å
596	I	85.1	Confident	82.5	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-75.4	-28	177	-80.4	-164.6	0	0	0	111.7	M543 N592 L593 Q594 P600 Y603 L606 L631 V633	M543-I596 HydrophobicContact CE-CG2 3.8Å; M543-I596 HydrophobicContact SD-CG2 4.21Å; N592-I596 PolarHBondContact O-N 3.38Å; L593-I596 PolarHBondContact O-N 3.4Å; Q594-I596 VanDerWaalsContact C-N 3.29Å; Q594-I596 PolarHBondContact O-N 3.04Å; I596-P600 VanDerWaalsContact O-CA 3.31Å; I596-P600 WeakPolarHBondContact O-CA 3.49Å; I596-P600 WeakPolarHBondContact O-CB 3.24Å; I596-P600 WeakPolarHBondContact O-CD 3.07Å; I596-Y603 WeakPolarHBondContact CD1-O 3.45Å; I596-Y603 VanDerWaalsContact CG1-O 3.3Å; I596-Y603 WeakPolarHBondContact CG1-O 3.18Å; I596-L606 HydrophobicContact CD1-CB 3.72Å; I596-L606 HydrophobicContact CG1-CB 4.22Å; I596-L631 HydrophobicContact CB-CD2 4.13Å; I596-L631 HydrophobicContact CD1-CB 4.03Å; I596-L631 HydrophobicContact CD1-CD2 3.77Å; I596-L631 HydrophobicContact CD1-CG 3.75Å; I596-L631 HydrophobicContact CG1-CD2 4.23Å; I596-L631 HydrophobicContact CG2-CD2 4.43Å; I596-V633 HydrophobicContact CG2-CG2 3.47Å; I596-V633 VanDerWaalsContact CG2-CG2 3.47Å
597	V	81.9	Confident	82.9	Confident	29 Å²	29	58.9 Å²	58.9	18%	0.176	31%	0.312	C	S	.	.	H	α-helix	trans	-74.1	-39.9	172.2	175.5	0	0	0	0	111.5	M543 F561 L593 Q594	M543-V597 HydrophobicContact CE-CG2 3.72Å; F561-V597 HydrophobicContact CD1-CG1 4.4Å; F561-V597 HydrophobicContact CD1-CG2 3.63Å; F561-V597 HydrophobicContact CD2-CG2 4.4Å; F561-V597 HydrophobicContact CE1-CB 4.22Å; F561-V597 HydrophobicContact CE1-CG1 3.7Å; F561-V597 HydrophobicContact CE1-CG2 3.39Å; F561-V597 HydrophobicContact CE2-CG2 4.2Å; F561-V597 HydrophobicContact CG-CG2 4.15Å; F561-V597 HydrophobicContact CZ-CG1 4.32Å; F561-V597 HydrophobicContact CZ-CG2 3.72Å; L593-V597 WeakPolarHBondContact O-CG2 3.34Å; L593-V597 PolarHBondContact O-N 3.4Å; Q594-V597 CarbonylContact O-C 3.58Å; Q594-V597 WeakPolarHBondContact O-CA 3.48Å; Q594-V597 WeakPolarHBondContact O-CB 3.18Å; Q594-V597 PolarHBondContact O-N 3.05Å
598	D	80.6	Confident	83.3	Confident	114 Å²	114	53.4 Å²	53.4	61%	0.61	28%	0.282	S	S	*	.	H	α-helix	trans	-73.8	-37.8	-176.6	-62.1	-19.8	0	0	0	112.4	Q594	Q594-D598 PolarHBondContact NE2-OD1 2.86Å; Q594-D598 WeakPolarHBondContact O-CB 3.47Å; Q594-D598 PolarHBondContact O-N 3.05Å
599	D	78.3	Confident	83.4	Confident	57 Å²	57	56.4 Å²	56.4	31%	0.305	29%	0.293	S	S	.	.			trans	-139.9	79.5	173.3	-173.3	-6.6	0	0	0	112.3	K595 I601 T602 Y603	K595-D599 PolarHBondContact O-N 3.4Å; K595-D599 VanDerWaalsContact O-N 3.11Å; D599-I601 PolarHBondContact O-N 2.72Å; D599-I601 PolarHBondContact OD1-N 2.97Å; D599-I601 VanDerWaalsContact OD1-N 3.13Å; D599-T602 VanDerWaalsContact CG-CB 3.46Å; D599-T602 VanDerWaalsContact CG-OG1 3.28Å; D599-T602 PolarHBondContact OD1-N 3.26Å; D599-T602 PolarHBondContact OD1-OG1 2.89Å; D599-T602 WeakPolarHBondContact OD2-CB 3.49Å; D599-T602 PolarHBondContact OD2-OG1 3.43Å; D599-Y603 HydrophobicContact CB-CD2 4.01Å; D599-Y603 HydrophobicContact CB-CE2 4.24Å; D599-Y603 WeakPolarHBondContact O-CB 3.44Å; D599-Y603 WeakPolarHBondContact O-CD2 3.46Å; D599-Y603 PolarHBondContact O-N 3.43Å
600	P	69.4	Low	83.5	Confident	31 Å²	31	57.1 Å²	57.1	20%	0.201	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-9.2	176.8	27.5	-33.9	0	0	0	113.7	I537 I596	I537-P600 HydrophobicContact CD1-CG 3.79Å; I596-P600 VanDerWaalsContact O-CA 3.31Å; I596-P600 WeakPolarHBondContact O-CA 3.49Å; I596-P600 WeakPolarHBondContact O-CB 3.24Å; I596-P600 WeakPolarHBondContact O-CD 3.07Å
601	I	69.1	Low	83.4	Confident	147 Å²	147	60.2 Å²	60.2	75%	0.754	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-47	179	-60.8	177.8	0	0	0	109.4	D599	D599-I601 PolarHBondContact O-N 2.72Å; D599-I601 PolarHBondContact OD1-N 2.97Å; D599-I601 VanDerWaalsContact OD1-N 3.13Å
602	T	72.9	Confident	83.1	Confident	92 Å²	92	59.9 Å²	59.9	56%	0.564	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-44.4	175.5	-58.8	0	0	0	0	111.5	D599 K604	D599-T602 VanDerWaalsContact CG-CB 3.46Å; D599-T602 VanDerWaalsContact CG-OG1 3.28Å; D599-T602 PolarHBondContact OD1-N 3.26Å; D599-T602 PolarHBondContact OD1-OG1 2.89Å; D599-T602 WeakPolarHBondContact OD2-CB 3.49Å; D599-T602 PolarHBondContact OD2-OG1 3.43Å; T602-K604 PolarHBondContact O-N 2.83Å
603	Y	75.6	Confident	82.4	Confident	94 Å²	94	60.7 Å²	60.7	37%	0.369	33%	0.327	S	S	.	.			trans	-100	43.1	-170.5	-58.6	-66.8	0	0	0	114.2	K595 I596 D599 V605 L606	K595-Y603 WeakPolarHBondContact O-CD2 3.42Å; I596-Y603 WeakPolarHBondContact CD1-O 3.45Å; I596-Y603 VanDerWaalsContact CG1-O 3.3Å; I596-Y603 WeakPolarHBondContact CG1-O 3.18Å; D599-Y603 HydrophobicContact CB-CD2 4.01Å; D599-Y603 HydrophobicContact CB-CE2 4.24Å; D599-Y603 WeakPolarHBondContact O-CB 3.44Å; D599-Y603 WeakPolarHBondContact O-CD2 3.46Å; D599-Y603 PolarHBondContact O-N 3.43Å; Y603-V605 PolarHBondContact O-N 2.93Å; Y603-V605 VanDerWaalsContact O-N 3.07Å; Y603-L606 HydrophobicContact CD1-CD1 3.57Å; Y603-L606 HydrophobicContact CE1-CD1 4.05Å; Y603-L606 HydrophobicContact CG-CD1 4.31Å
604	K	77.1	Confident	81.9	Confident	110 Å²	110	62.6 Å²	62.6	48%	0.478	34%	0.341	S	S	.	.	S	Bend	trans	-56.1	-29.3	178.2	-177.5	155.8	-174.3	138.7	0	113.6	T602 S632 V633 S634	T602-K604 PolarHBondContact O-N 2.83Å; K604-S632 VanDerWaalsContact O-CA 3.31Å; K604-S632 WeakPolarHBondContact O-CA 3.38Å; K604-V633 WeakPolarHBondContact CE-O 3.41Å; K604-V633 PolarHBondContact O-N 2.71Å; K604-S634 PolarHBondContact NZ-O 2.88Å
605	V	86.1	Confident	81.1	Confident	86 Å²	86	63.7 Å²	63.7	52%	0.521	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	129.2	167.3	-174.5	0	0	0	0	108.8	Y603 Q630 L631	Y603-V605 PolarHBondContact O-N 2.93Å; Y603-V605 VanDerWaalsContact O-N 3.07Å; V605-Q630 HydrophobicContact CG1-CG 3.73Å; V605-L631 WeakPolarHBondContact CA-O 3.38Å
606	L	89.3	Confident	80.1	Confident	26 Å²	26	67.7 Å²	67.7	14%	0.136	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	120.9	177.8	-170.1	90.4	0	0	0	109.8	N592 I596 Y603 F608 Q630 L631	N592-L606 HydrophobicContact CB-CD2 3.69Å; N592-L606 WeakPolarHBondContact OD1-CD2 3.43Å; I596-L606 HydrophobicContact CD1-CB 3.72Å; I596-L606 HydrophobicContact CG1-CB 4.22Å; Y603-L606 HydrophobicContact CD1-CD1 3.57Å; Y603-L606 HydrophobicContact CE1-CD1 4.05Å; Y603-L606 HydrophobicContact CG-CD1 4.31Å; L606-F608 HydrophobicContact CD2-CD1 4.21Å; L606-Q630 CarbonylContact O-C 3.59Å; L606-Q630 WeakPolarHBondContact O-CA 3.29Å; L606-L631 PolarHBondContact N-O 3.22Å; L606-L631 PolarHBondContact O-N 3Å
607	T	92	Very high	79.3	Confident	41 Å²	41	73.6 Å²	73.6	25%	0.252	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134.9	171.7	-49.5	0	0	0	0	109	E622 L625 F628 A629 Q630	T607-E622 HydrophobicContact CG2-CG 3.63Å; T607-L625 HydrophobicContact CG2-CD2 3.52Å; T607-F628 HydrophobicContact CG2-CB 4.29Å; T607-A629 CarbonylContact C-O 3.57Å; T607-A629 WeakPolarHBondContact CA-O 3.49Å; T607-A629 WeakPolarHBondContact CG2-O 3.39Å; T607-Q630 HydrophobicContact CG2-CB 4.47Å; T607-Q630 PolarHBondContact OG1-NE2 3.47Å
608	F	92.8	Very high	78.9	Confident	15 Å²	15	75 Å²	75	7%	0.066	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	150.3	-176.4	59.1	-87.8	0	0	0	111.7	L545 I588 V589 N592 L606 L610 F628 A629 L631	L545-F608 HydrophobicContact CD1-CE1 4.31Å; L545-F608 HydrophobicContact CD1-CZ 3.99Å; I588-F608 HydrophobicContact CG1-CD2 4.25Å; V589-F608 HydrophobicContact CG2-CE2 3.96Å; V589-F608 HydrophobicContact CG2-CZ 4.06Å; N592-F608 HydrophobicContact CB-CD1 3.8Å; N592-F608 HydrophobicContact CB-CD2 4.4Å; N592-F608 HydrophobicContact CB-CE1 3.82Å; N592-F608 HydrophobicContact CB-CE2 4.41Å; N592-F608 HydrophobicContact CB-CG 4.1Å; N592-F608 HydrophobicContact CB-CZ 4.13Å; N592-F608 VanDerWaalsContact ND2-CD2 3.31Å; N592-F608 WeakPolarHBondContact ND2-CD2 3.32Å; N592-F608 VanDerWaalsContact ND2-CG 3.3Å; N592-F608 WeakPolarHBondContact ND2-CG 3.38Å; L606-F608 HydrophobicContact CD2-CD1 4.21Å; F608-L610 HydrophobicContact CE2-CD2 4.15Å; F608-F628 CarbonylContact O-C 3.59Å; F608-F628 VanDerWaalsContact O-CA 3.25Å; F608-F628 WeakPolarHBondContact O-CA 3.48Å; F608-F628 WeakPolarHBondContact O-CB 3.49Å; F608-A629 HydrophobicContact CE1-CB 4.34Å; F608-A629 HydrophobicContact CE2-CB 4Å; F608-A629 HydrophobicContact CZ-CB 3.89Å; F608-A629 PolarHBondContact N-O 3.22Å; F608-A629 PolarHBondContact O-N 3.45Å; F608-L631 HydrophobicContact CE1-CB 4.01Å
609	K	90.7	Very high	78.9	Confident	119 Å²	119	76.6 Å²	76.6	52%	0.517	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	141.5	178.8	-164.8	-178	175.9	-177.9	0	110.5	I588 G627 F628	I588-K609 VanDerWaalsContact CD1-O 3.26Å; I588-K609 WeakPolarHBondContact CD1-O 3.4Å; K609-G627 WeakPolarHBondContact CG-O 3.31Å; K609-F628 HydrophobicContact CB-CD1 3.91Å; K609-F628 HydrophobicContact CB-CE1 3.82Å; K609-F628 HydrophobicContact CB-CZ 4.5Å; K609-F628 HydrophobicContact CG-CD1 4.33Å; K609-F628 HydrophobicContact CG-CE1 4.13Å; K609-F628 HydrophobicContact CG-CZ 4.33Å
610	L	89.3	Confident	79.2	Confident	16 Å²	16	77.2 Å²	77.2	8%	0.084	43%	0.43	C	S	.	.			trans	-82.9	144.4	171.6	-66.6	-179.2	0	0	0	110.9	L547 D585 F608 S612 G613 G627 A629	L547-L610 HydrophobicContact CD1-CD1 4.39Å; D585-L610 HydrophobicContact CB-CD2 4.11Å; D585-L610 WeakPolarHBondContact OD1-CB 3.27Å; F608-L610 HydrophobicContact CE2-CD2 4.15Å; L610-S612 VanDerWaalsContact C-N 3.35Å; L610-G613 PolarHBondContact O-N 3.24Å; L610-G627 PolarHBondContact N-O 3.31Å; L610-A629 HydrophobicContact CD1-CB 4.4Å; L610-A629 HydrophobicContact CD2-CB 3.74Å; L610-A629 HydrophobicContact CG-CB 4.16Å
611	A	84.8	Confident	79.9	Confident	67 Å²	67	77.6 Å²	77.6	55%	0.554	43%	0.43	S	S	*	.	S	Bend	trans	-75.1	-27.1	175.5	0	0	0	0	0	111.8	D585 I588 G613	D585-A611 WeakPolarHBondContact OD1-CA 3.46Å; D585-A611 PolarHBondContact OD1-N 2.82Å; I588-A611 HydrophobicContact CG2-CB 4.38Å; A611-G613 PolarHBondContact O-N 3.48Å
612	S	81.2	Confident	80.6	Confident	43 Å²	43	75.8 Å²	75.8	30%	0.301	42%	0.418	S	S	.	.	S	Bend	trans	-68.5	-16.8	169.1	63.9	0	0	0	0	114.1	N582 D585 L610	N582-S612 VanDerWaalsContact ND2-CB 3.31Å; N582-S612 WeakPolarHBondContact ND2-CB 3.27Å; D585-S612 PolarHBondContact OD1-N 2.9Å; D585-S612 PolarHBondContact OD1-OG 2.86Å; D585-S612 VanDerWaalsContact OD2-CB 3.26Å; D585-S612 WeakPolarHBondContact OD2-CB 3.42Å; D585-S612 PolarHBondContact OD2-OG 3.43Å; L610-S612 VanDerWaalsContact C-N 3.35Å
613	G	76.8	Confident	81	Confident	26 Å²	26	78.2 Å²	78.2	27%	0.268	43%	0.432	S	S	.	.			trans	68.6	-141.6	177.1	0	0	0	0	0	113.9	L610 A611 G627	L610-G613 PolarHBondContact O-N 3.24Å; A611-G613 PolarHBondContact O-N 3.48Å; G613-G627 VanDerWaalsContact O-CA 3.28Å; G613-G627 WeakPolarHBondContact O-CA 3.49Å
614	C	74.8	Confident	81.3	Confident	41 Å²	41	79.2 Å²	79.2	28%	0.277	44%	0.439	S	S	.	.			trans	-139.6	163.1	171.1	60.9	0	0	0	0	109.2	E618 I626	C614-E618 HydrophobicContact CB-CB 4.43Å; C614-E618 PolarHBondContact SG-O 3.26Å; C614-I626 HydrophobicContact CB-CG2 3.95Å
615	D	69.6	Low	81.7	Confident	89 Å²	89	74.3 Å²	74.3	48%	0.476	42%	0.418	S	S	.	.			trans	-55.9	150.5	178.6	-62.6	-21.3	0	0	0	111.8	K552 T617 E618	K552-D615 WeakPolarHBondContact CE-OD2 3.35Å; K552-D615 IonicContact NZ-OD2 2.7Å; K552-D615 PolarHBondContact NZ-OD2 3.25Å; D615-T617 PolarHBondContact O-N 3.07Å; D615-E618 PolarHBondContact O-N 3.12Å
616	D	64.4	Low	81.6	Confident	179 Å²	179	71.3 Å²	71.3	96%	0.957	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-4.5	175	-59.5	-53	0	0	0	114.9
617	T	68	Low	81.4	Confident	124 Å²	124	70.4 Å²	70.4	76%	0.761	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-3.6	177.8	57.4	0	0	0	0	113.7	D615	D615-T617 PolarHBondContact O-N 3.07Å
618	E	74.9	Confident	81.4	Confident	59 Å²	59	70.1 Å²	70.1	28%	0.276	39%	0.391	S	S	.	.	S	Bend	trans	-120.5	142.5	-177.6	-70.5	-176.2	158.5	0	0	112.2	K552 C614 D615 I626	K552-E618 WeakPolarHBondContact CD-OE1 3.42Å; K552-E618 IonicContact NZ-OE1 2.67Å; K552-E618 PolarHBondContact NZ-OE1 3.32Å; K552-E618 IonicContact NZ-OE2 2.62Å; K552-E618 PolarHBondContact NZ-OE2 3.04Å; C614-E618 HydrophobicContact CB-CB 4.43Å; C614-E618 PolarHBondContact SG-O 3.26Å; D615-E618 PolarHBondContact O-N 3.12Å; E618-I626 HydrophobicContact CB-CG2 3.93Å
619	I	79.2	Confident	81.4	Confident	147 Å²	147	69.4 Å²	69.4	75%	0.754	39%	0.388	S	S	*	.			trans	-88.9	127.9	174	-58.1	174.7	0	0	0	107.7	D621 I626	I619-D621 PolarHBondContact O-N 3.44Å; I619-I626 WeakPolarHBondContact O-CG2 3.37Å
620	P	84.6	Confident	81.5	Confident	70 Å²	70	65.9 Å²	65.9	46%	0.455	37%	0.373	S	S	.	.			trans	-55.9	133.2	175.7	-24.3	31.8	0	0	0	112.1	I626 F628	P620-I626 WeakPolarHBondContact CA-O 3.41Å; P620-F628 HydrophobicContact CB-CE2 4.07Å
621	D	84.6	Confident	81.6	Confident	39 Å²	39	65.1 Å²	65.1	21%	0.209	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-146.5	111.1	-174.6	-174.2	-42.6	0	0	0	109.6	I619 V623 K624 L625 I626	I619-D621 PolarHBondContact O-N 3.44Å; D621-V623 PolarHBondContact OD1-N 3.33Å; D621-K624 HydrophobicContact CB-CB 4.1Å; D621-K624 HydrophobicContact CB-CG 4.49Å; D621-K624 PolarHBondContact OD1-N 3.26Å; D621-K624 WeakPolarHBondContact OD2-CD 3.24Å; D621-K624 WeakPolarHBondContact OD2-CG 3.37Å; D621-K624 IonicContact OD2-NZ 3.5Å; D621-K624 PolarHBondContact OD2-NZ 3.49Å; D621-L625 CarbonylContact O-C 3.56Å; D621-L625 WeakPolarHBondContact O-CA 3.37Å; D621-L625 PolarHBondContact O-N 3.24Å; D621-I626 HydrophobicContact CB-CB 4.12Å; D621-I626 HydrophobicContact CB-CD1 4.17Å; D621-I626 HydrophobicContact CB-CG1 4.37Å; D621-I626 PolarHBondContact N-O 2.85Å; D621-I626 PolarHBondContact O-N 3.22Å
622	E	84.9	Confident	81.8	Confident	108 Å²	108	63.1 Å²	63.1	51%	0.505	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-40	-177.4	-170.3	178.5	172.8	0	0	112.1	T607 K624 L625 F628	T607-E622 HydrophobicContact CG2-CG 3.63Å; E622-K624 VanDerWaalsContact C-N 3.34Å; E622-K624 PolarHBondContact O-N 3.33Å; E622-L625 VanDerWaalsContact O-CD2 3.32Å; E622-L625 WeakPolarHBondContact O-CD2 3.36Å; E622-L625 PolarHBondContact O-N 3.33Å; E622-L625 VanDerWaalsContact O-N 3.16Å; E622-F628 HydrophobicContact CB-CD1 4.29Å; E622-F628 HydrophobicContact CB-CD2 4.26Å; E622-F628 HydrophobicContact CB-CE1 4.2Å; E622-F628 HydrophobicContact CB-CE2 4.18Å; E622-F628 HydrophobicContact CB-CG 4.34Å; E622-F628 HydrophobicContact CB-CZ 4.15Å; E622-F628 HydrophobicContact CG-CD1 4.03Å; E622-F628 HydrophobicContact CG-CE1 4.18Å; E622-F628 HydrophobicContact CG-CG 4.36Å
623	V	80.3	Confident	81.8	Confident	143 Å²	143	62.3 Å²	62.3	87%	0.867	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-32.6	-178.1	-176.8	0	0	0	0	111.3	D621	D621-V623 PolarHBondContact OD1-N 3.33Å
624	K	81.8	Confident	81	Confident	116 Å²	116	66 Å²	66	50%	0.504	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-1.8	174	-58.9	-173.8	-168.4	82	0	113	R548 D621 E622 I626	R548-K624 VanDerWaalsContact CZ-O 3.31Å; R548-K624 PolarHBondContact NE-O 3.15Å; R548-K624 PolarHBondContact NH2-O 3.46Å; D621-K624 HydrophobicContact CB-CB 4.1Å; D621-K624 HydrophobicContact CB-CG 4.49Å; D621-K624 PolarHBondContact OD1-N 3.26Å; D621-K624 WeakPolarHBondContact OD2-CD 3.24Å; D621-K624 WeakPolarHBondContact OD2-CG 3.37Å; D621-K624 IonicContact OD2-NZ 3.5Å; D621-K624 PolarHBondContact OD2-NZ 3.49Å; E622-K624 VanDerWaalsContact C-N 3.34Å; E622-K624 PolarHBondContact O-N 3.33Å; K624-I626 VanDerWaalsContact C-N 3.34Å; K624-I626 HydrophobicContact CB-CD1 3.95Å; K624-I626 HydrophobicContact CB-CG1 3.96Å; K624-I626 HydrophobicContact CD-CD1 4.23Å; K624-I626 PolarHBondContact O-N 2.85Å
625	L	85.4	Confident	81.3	Confident	7 Å²	7	67.3 Å²	67.3	4%	0.037	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	50.4	-173	-58.8	171.6	0	0	0	112.8	R546 R548 L554 T607 D621 E622 F628 Q630	R546-L625 HydrophobicContact CB-CD1 4.37Å; R546-L625 HydrophobicContact CG-CD1 3.6Å; R548-L625 WeakPolarHBondContact CD-O 3.41Å; R548-L625 VanDerWaalsContact CG-O 3.32Å; R548-L625 WeakPolarHBondContact CG-O 3.44Å; R548-L625 PolarHBondContact NE-O 2.92Å; R548-L625 VanDerWaalsContact NE-O 3.1Å; L554-L625 HydrophobicContact CD2-CB 3.94Å; L554-L625 HydrophobicContact CD2-CD1 4.2Å; T607-L625 HydrophobicContact CG2-CD2 3.52Å; D621-L625 CarbonylContact O-C 3.56Å; D621-L625 WeakPolarHBondContact O-CA 3.37Å; D621-L625 PolarHBondContact O-N 3.24Å; E622-L625 VanDerWaalsContact O-CD2 3.32Å; E622-L625 WeakPolarHBondContact O-CD2 3.36Å; E622-L625 PolarHBondContact O-N 3.33Å; E622-L625 VanDerWaalsContact O-N 3.16Å; L625-F628 HydrophobicContact CD2-CB 3.89Å; L625-Q630 HydrophobicContact CD1-CB 3.82Å; L625-Q630 HydrophobicContact CD2-CB 3.94Å
626	I	84.8	Confident	82	Confident	22 Å²	22	66.2 Å²	66.2	11%	0.113	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-97.7	104.8	172.6	-60.6	174.1	0	0	0	107.1	C614 E618 I619 P620 D621 K624 F628	C614-I626 HydrophobicContact CB-CG2 3.95Å; E618-I626 HydrophobicContact CB-CG2 3.93Å; I619-I626 WeakPolarHBondContact O-CG2 3.37Å; P620-I626 WeakPolarHBondContact CA-O 3.41Å; D621-I626 HydrophobicContact CB-CB 4.12Å; D621-I626 HydrophobicContact CB-CD1 4.17Å; D621-I626 HydrophobicContact CB-CG1 4.37Å; D621-I626 PolarHBondContact N-O 2.85Å; D621-I626 PolarHBondContact O-N 3.22Å; K624-I626 VanDerWaalsContact C-N 3.34Å; K624-I626 HydrophobicContact CB-CD1 3.95Å; K624-I626 HydrophobicContact CB-CG1 3.96Å; K624-I626 HydrophobicContact CD-CD1 4.23Å; K624-I626 PolarHBondContact O-N 2.85Å; I626-F628 VanDerWaalsContact C-N 3.31Å; I626-F628 VanDerWaalsContact O-CD2 3.32Å; I626-F628 WeakPolarHBondContact O-CD2 3.27Å
627	G	85.6	Confident	82.9	Confident	8 Å²	8	59.9 Å²	59.9	8%	0.082	33%	0.332	C	S	.	.	S	Bend	trans	77	13.9	-170.5	0	0	0	0	0	115	K609 L610 G613	K609-G627 WeakPolarHBondContact CG-O 3.31Å; L610-G627 PolarHBondContact N-O 3.31Å; G613-G627 VanDerWaalsContact O-CA 3.28Å; G613-G627 WeakPolarHBondContact O-CA 3.49Å
628	F	92.1	Very high	83.8	Confident	35 Å²	35	56.1 Å²	56.1	15%	0.154	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	156.6	176	-64.1	-102.6	0	0	0	110.2	T607 F608 K609 P620 E622 L625 I626	T607-F628 HydrophobicContact CG2-CB 4.29Å; F608-F628 CarbonylContact O-C 3.59Å; F608-F628 VanDerWaalsContact O-CA 3.25Å; F608-F628 WeakPolarHBondContact O-CA 3.48Å; F608-F628 WeakPolarHBondContact O-CB 3.49Å; K609-F628 HydrophobicContact CB-CD1 3.91Å; K609-F628 HydrophobicContact CB-CE1 3.82Å; K609-F628 HydrophobicContact CB-CZ 4.5Å; K609-F628 HydrophobicContact CG-CD1 4.33Å; K609-F628 HydrophobicContact CG-CE1 4.13Å; K609-F628 HydrophobicContact CG-CZ 4.33Å; P620-F628 HydrophobicContact CB-CE2 4.07Å; E622-F628 HydrophobicContact CB-CD1 4.29Å; E622-F628 HydrophobicContact CB-CD2 4.26Å; E622-F628 HydrophobicContact CB-CE1 4.2Å; E622-F628 HydrophobicContact CB-CE2 4.18Å; E622-F628 HydrophobicContact CB-CG 4.34Å; E622-F628 HydrophobicContact CB-CZ 4.15Å; E622-F628 HydrophobicContact CG-CD1 4.03Å; E622-F628 HydrophobicContact CG-CE1 4.18Å; E622-F628 HydrophobicContact CG-CG 4.36Å; L625-F628 HydrophobicContact CD2-CB 3.89Å; I626-F628 VanDerWaalsContact C-N 3.31Å; I626-F628 VanDerWaalsContact O-CD2 3.32Å; I626-F628 WeakPolarHBondContact O-CD2 3.27Å
629	A	91.4	Very high	84.4	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	158	167.6	0	0	0	0	0	110.1	L545 R546 L547 T607 F608 L610	L545-A629 HydrophobicContact CD1-CB 4.23Å; R546-A629 CarbonylContact O-C 3.52Å; R546-A629 WeakPolarHBondContact O-CA 3.3Å; L547-A629 HydrophobicContact CB-CB 3.79Å; T607-A629 CarbonylContact C-O 3.57Å; T607-A629 WeakPolarHBondContact CA-O 3.49Å; T607-A629 WeakPolarHBondContact CG2-O 3.39Å; F608-A629 HydrophobicContact CE1-CB 4.34Å; F608-A629 HydrophobicContact CE2-CB 4Å; F608-A629 HydrophobicContact CZ-CB 3.89Å; F608-A629 PolarHBondContact N-O 3.22Å; F608-A629 PolarHBondContact O-N 3.45Å; L610-A629 HydrophobicContact CD1-CB 4.4Å; L610-A629 HydrophobicContact CD2-CB 3.74Å; L610-A629 HydrophobicContact CG-CB 4.16Å
630	Q	93.4	Very high	84.7	Confident	45 Å²	45	49.9 Å²	49.9	21%	0.21	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	117.9	180	175.1	170.9	92.9	0	0	109.2	R546 V605 L606 T607 L625	R546-Q630 HydrophobicContact CB-CB 4.4Å; R546-Q630 PolarHBondContact N-O 3.18Å; R546-Q630 PolarHBondContact O-N 3.22Å; V605-Q630 HydrophobicContact CG1-CG 3.73Å; L606-Q630 CarbonylContact O-C 3.59Å; L606-Q630 WeakPolarHBondContact O-CA 3.29Å; T607-Q630 HydrophobicContact CG2-CB 4.47Å; T607-Q630 PolarHBondContact OG1-NE2 3.47Å; L625-Q630 HydrophobicContact CD1-CB 3.82Å; L625-Q630 HydrophobicContact CD2-CB 3.94Å
631	L	91.1	Very high	84.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	139.5	172.4	-177.1	68.2	0	0	0	108.7	M543 V544 L545 F559 L593 I596 V605 L606 F608	M543-L631 HydrophobicContact CB-CD1 4.24Å; M543-L631 HydrophobicContact SD-CD1 4.34Å; M543-L631 HydrophobicContact SD-CD2 4.48Å; V544-L631 CarbonylContact O-C 3.5Å; V544-L631 WeakPolarHBondContact O-CA 3.43Å; L545-L631 HydrophobicContact CB-CD1 3.97Å; L545-L631 HydrophobicContact CD1-CB 4.16Å; L545-L631 HydrophobicContact CD1-CD1 4.24Å; F559-L631 HydrophobicContact CE1-CD1 4.48Å; F559-L631 HydrophobicContact CZ-CD1 3.97Å; L593-L631 HydrophobicContact CB-CD2 4.38Å; L593-L631 HydrophobicContact CD2-CD1 4.01Å; L593-L631 HydrophobicContact CD2-CD2 3.63Å; L593-L631 HydrophobicContact CG-CD2 3.98Å; I596-L631 HydrophobicContact CB-CD2 4.13Å; I596-L631 HydrophobicContact CD1-CB 4.03Å; I596-L631 HydrophobicContact CD1-CD2 3.77Å; I596-L631 HydrophobicContact CD1-CG 3.75Å; I596-L631 HydrophobicContact CG1-CD2 4.23Å; I596-L631 HydrophobicContact CG2-CD2 4.43Å; V605-L631 WeakPolarHBondContact CA-O 3.38Å; L606-L631 PolarHBondContact N-O 3.22Å; L606-L631 PolarHBondContact O-N 3Å; F608-L631 HydrophobicContact CE1-CB 4.01Å
632	S	88.1	Confident	84.7	Confident	24 Å²	24	49.2 Å²	49.2	17%	0.168	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	144.3	179.2	53.8	0	0	0	0	112	M543 V544 K604	M543-S632 CarbonylContact C-O 3.58Å; M543-S632 WeakPolarHBondContact CA-O 3.12Å; V544-S632 PolarHBondContact N-O 2.89Å; V544-S632 PolarHBondContact O-N 2.88Å; V544-S632 PolarHBondContact O-OG 3.47Å; K604-S632 VanDerWaalsContact O-CA 3.31Å; K604-S632 WeakPolarHBondContact O-CA 3.38Å
633	V	81.4	Confident	84.7	Confident	26 Å²	26	44.3 Å²	44.3	16%	0.158	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	133.1	169.2	-176.5	0	0	0	0	108.4	V541 I596 K604	V541-V633 HydrophobicContact CG1-CG1 3.73Å; V541-V633 HydrophobicContact CG1-CG2 4.08Å; I596-V633 HydrophobicContact CG2-CG2 3.47Å; I596-V633 VanDerWaalsContact CG2-CG2 3.47Å; K604-V633 WeakPolarHBondContact CE-O 3.41Å; K604-V633 PolarHBondContact O-N 2.71Å
634	S	61.5	Low	85.1	Confident	105 Å²	105	35.3 Å²	35.3	73%	0.734	20%	0.196	S	C	*	.			trans	-76.6	0	-174.3	-164.7	0	0	0	0	114.8	N542 K604	N542-S634 PolarHBondContact O-N 3.29Å; K604-S634 PolarHBondContact NZ-O 2.88Å

Retrieved 634 of 634 residues in 3892.3 ms (Link to these results)

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