A0A077Z5D8_TRITR Loading...

T-complex protein 1 subunit alpha

AlphaFold DB , UniProt , Accession A0A077Z5D8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 567 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	36.6	Very low	56.8	Low	247 Å²	247	133.1 Å²	133.1	100%	1.217	72%	0.715	S	S	*	*				0	109.9	0	-75.5	175	173.2	0	0	108.1	S3	M1-S3 PolarHBondContact O-N 3.19Å
2	S	38.1	Very low	59.1	Low	96 Å²	96	135.3 Å²	135.3	67%	0.671	71%	0.714	S	S	*	*			trans	-68.1	125.2	-178.8	168.6	0	0	0	0	109.8	R4	S2-R4 PolarHBondContact O-N 3.3Å
3	S	45.9	Very low	61.2	Low	110 Å²	110	134.5 Å²	134.5	77%	0.769	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-64.1	8.7	179.7	51.4	0	0	0	0	114.8	M1 G5	M1-S3 PolarHBondContact O-N 3.19Å; S3-G5 PolarHBondContact O-N 3.23Å
4	R	49.9	Very low	63	Low	231 Å²	231	128.1 Å²	128.1	87%	0.872	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-69.8	-3.4	170.6	-80.6	-172.9	173.4	176.4	-0.1	114.4	S2	S2-R4 PolarHBondContact O-N 3.3Å
5	G	52.9	Low	64.6	Low	70 Å²	70	123.1 Å²	123.1	72%	0.722	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-106.8	-0.7	-172.4	0	0	0	0	0	118	S3	S3-G5 PolarHBondContact O-N 3.23Å
6	L	58.8	Low	65.9	Low	159 Å²	159	117.4 Å²	117.4	83%	0.832	63%	0.63	S	S	*	*	S	Bend	trans	-94.3	-17.8	-173.5	-102.6	95.9	0	0	0	115.8
7	L	58.7	Low	67.1	Low	121 Å²	121	115.5 Å²	115.5	63%	0.634	62%	0.617	S	S	*	*			trans	-137.4	109.6	-177.8	-76.3	162.4	0	0	0	108.8	V9	L7-V9 VanDerWaalsContact C-N 3.32Å; L7-V9 HydrophobicContact CB-CG2 4.48Å; L7-V9 PolarHBondContact O-N 3.16Å
8	D	64.7	Low	68.3	Low	160 Å²	160	112.2 Å²	112.2	86%	0.856	60%	0.604	S	S	*	*			trans	-77.6	84.2	173.6	-171.4	23.6	0	0	0	109.4
9	V	64.6	Low	69.6	Low	45 Å²	45	106.3 Å²	106.3	27%	0.273	57%	0.572	S	S	.	*			trans	-87.1	121.7	167.7	-175.9	0	0	0	0	106.7	L7 G11 I552 L554	L7-V9 VanDerWaalsContact C-N 3.32Å; L7-V9 HydrophobicContact CB-CG2 4.48Å; L7-V9 PolarHBondContact O-N 3.16Å; V9-G11 PolarHBondContact O-N 2.9Å; V9-I552 HydrophobicContact CG1-CG2 3.7Å; V9-L554 HydrophobicContact CG1-CD2 3.78Å
10	R	75.4	Confident	70.6	Confident	198 Å²	198	103.3 Å²	103.3	75%	0.747	55%	0.552	S	S	*	*	S	Bend	trans	-66.4	75.3	170.5	-73.9	-171.5	177.2	-176.5	0.1	110.6	E555	R10-E555 PolarHBondContact O-N 3.37Å
11	G	79.5	Confident	71.6	Confident	27 Å²	27	99.9 Å²	99.9	28%	0.278	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	166	-174.2	-167.4	0	0	0	0	0	114.5	V9 Q553	V9-G11 PolarHBondContact O-N 2.9Å; G11-Q553 CarbonylContact C-O 3.53Å; G11-Q553 WeakPolarHBondContact CA-O 3.32Å
12	K	83.5	Confident	74.4	Confident	160 Å²	160	92 Å²	92	70%	0.696	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.8	173.7	-69.3	-178.9	-178.3	176.6	0	109.5	Q553	K12-Q553 PolarHBondContact N-O 3.15Å; K12-Q553 PolarHBondContact O-N 2.98Å
13	R	86.9	Confident	77.1	Confident	124 Å²	124	87.7 Å²	87.7	47%	0.468	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.4	171.3	-178	177.4	178.3	-154.1	3.7	109.7	D550 M551 I552	R13-D550 VanDerWaalsContact CG-OD1 3.26Å; R13-D550 WeakPolarHBondContact CG-OD1 3.39Å; R13-D550 IonicContact CZ-OD2 3.08Å; R13-D550 IonicContact NE-OD1 3.68Å; R13-D550 PolarHBondContact NE-OD1 3.35Å; R13-D550 VanDerWaalsContact NE-OD1 3.11Å; R13-D550 IonicContact NE-OD2 2.73Å; R13-D550 PolarHBondContact NE-OD2 3.12Å; R13-D550 IonicContact NH2-OD2 2.75Å; R13-D550 PolarHBondContact NH2-OD2 3.29Å; R13-M551 WeakPolarHBondContact CA-O 3.41Å; R13-I552 HydrophobicContact CG-CG1 4.13Å
14	T	86.7	Confident	79.4	Confident	46 Å²	46	82.7 Å²	82.7	28%	0.282	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	139.5	168.1	41.5	0	0	0	0	108.1	V19 M551	T14-V19 WeakPolarHBondContact O-CG2 3.5Å; T14-M551 PolarHBondContact N-O 3.03Å; T14-M551 PolarHBondContact O-N 3Å
15	A	86.6	Confident	81.6	Confident	53 Å²	53	76 Å²	76	44%	0.438	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	162.2	-174.4	0	0	0	0	0	112.5	S18 D549	A15-S18 PolarHBondContact O-OG 3.15Å; A15-D549 CarbonylContact C-O 3.58Å; A15-D549 WeakPolarHBondContact CA-O 3.43Å
16	G	86.2	Confident	83.6	Confident	32 Å²	32	73.6 Å²	73.6	33%	0.33	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	-143.2	174.5	0	0	0	0	0	113.9	S18 V19 D549	G16-S18 PolarHBondContact O-N 2.73Å; G16-V19 PolarHBondContact O-N 3.27Å; G16-D549 PolarHBondContact N-O 3.39Å
17	E	85.5	Confident	85.3	Confident	85 Å²	85	66 Å²	66	40%	0.397	35%	0.35	S	S	.	.	H	α-helix	trans	-59.4	-32.4	-176	-167.7	171.3	175.5	0	0	112.8	V19 R20 S21	E17-V19 VanDerWaalsContact C-N 3.31Å; E17-V19 PolarHBondContact O-N 2.68Å; E17-R20 PolarHBondContact O-N 2.67Å; E17-R20 VanDerWaalsContact O-N 3.14Å; E17-S21 PolarHBondContact O-N 2.93Å
18	S	89	Confident	87.1	Confident	56 Å²	56	63 Å²	63	39%	0.392	33%	0.331	S	S	.	.	H	α-helix	trans	-58.8	-40.2	178.8	71.9	0	0	0	0	113	A15 G16 Q22	A15-S18 PolarHBondContact O-OG 3.15Å; G16-S18 PolarHBondContact O-N 2.73Å; S18-Q22 WeakPolarHBondContact O-CB 3.24Å; S18-Q22 VanDerWaalsContact O-CG 3.24Å; S18-Q22 WeakPolarHBondContact O-CG 3.37Å; S18-Q22 PolarHBondContact O-N 3.21Å; S18-Q22 VanDerWaalsContact O-N 3.07Å
19	V	92.5	Very high	88.5	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-67.9	-41.7	178.2	173.7	0	0	0	0	110.3	T14 G16 E17 Q22 N23 I548 M551	T14-V19 WeakPolarHBondContact O-CG2 3.5Å; G16-V19 PolarHBondContact O-N 3.27Å; E17-V19 VanDerWaalsContact C-N 3.31Å; E17-V19 PolarHBondContact O-N 2.68Å; V19-Q22 PolarHBondContact O-N 3.16Å; V19-N23 WeakPolarHBondContact O-CB 3.34Å; V19-N23 PolarHBondContact O-N 3.41Å; V19-N23 PolarHBondContact O-ND2 3.15Å; V19-I548 HydrophobicContact CG1-CG2 3.93Å; V19-M551 HydrophobicContact CG1-CB 3.92Å; V19-M551 HydrophobicContact CG1-CE 3.94Å; V19-M551 HydrophobicContact CG2-CB 3.98Å
20	R	90.2	Very high	89.9	Confident	45 Å²	45	56.2 Å²	56.2	17%	0.17	30%	0.301	C	S	.	.	H	α-helix	trans	-64.7	-47.8	179.9	-64.1	-172.6	-172.7	148.7	5.9	111.1	E17 Q22 N23 V24 I548	E17-R20 PolarHBondContact O-N 2.67Å; E17-R20 VanDerWaalsContact O-N 3.14Å; R20-Q22 VanDerWaalsContact C-N 3.29Å; R20-Q22 PolarHBondContact O-N 3.25Å; R20-N23 WeakPolarHBondContact O-CB 3.45Å; R20-N23 PolarHBondContact O-N 3.29Å; R20-V24 WeakPolarHBondContact O-CG2 3.22Å; R20-V24 PolarHBondContact O-N 3.47Å; R20-I548 WeakPolarHBondContact CG-O 3.49Å
21	S	92.4	Very high	90.9	Very high	32 Å²	32	46.9 Å²	46.9	22%	0.224	27%	0.266	C	S	.	.	H	α-helix	trans	-62.4	-36.2	176.2	-69.2	0	0	0	0	112.4	E17 T25 E127	E17-S21 PolarHBondContact O-N 2.93Å; S21-T25 WeakPolarHBondContact O-CB 3.16Å; S21-T25 PolarHBondContact O-N 3.48Å; S21-T25 PolarHBondContact O-OG1 3.13Å; S21-E127 PolarHBondContact OG-OE1 2.89Å
22	Q	93.7	Very high	91.6	Very high	82 Å²	82	49.9 Å²	49.9	38%	0.383	28%	0.276	S	S	.	.	H	α-helix	trans	-63	-46.5	172.9	-75.5	172.5	8.4	0	0	112.1	S18 V19 R20 V24 T25 A26	S18-Q22 WeakPolarHBondContact O-CB 3.24Å; S18-Q22 VanDerWaalsContact O-CG 3.24Å; S18-Q22 WeakPolarHBondContact O-CG 3.37Å; S18-Q22 PolarHBondContact O-N 3.21Å; S18-Q22 VanDerWaalsContact O-N 3.07Å; V19-Q22 PolarHBondContact O-N 3.16Å; R20-Q22 VanDerWaalsContact C-N 3.29Å; R20-Q22 PolarHBondContact O-N 3.25Å; Q22-V24 PolarHBondContact O-N 3.38Å; Q22-T25 PolarHBondContact O-N 3.42Å; Q22-A26 WeakPolarHBondContact O-CB 3.3Å; Q22-A26 PolarHBondContact O-N 2.58Å
23	N	94.9	Very high	92.1	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.027	26%	0.258	C	S	.	.	H	α-helix	trans	-58.7	-48.7	176.9	-69.7	-19.8	0	0	0	111.2	V19 R20 T25 A26 V27 H91 A93 I545	V19-N23 WeakPolarHBondContact O-CB 3.34Å; V19-N23 PolarHBondContact O-N 3.41Å; V19-N23 PolarHBondContact O-ND2 3.15Å; R20-N23 WeakPolarHBondContact O-CB 3.45Å; R20-N23 PolarHBondContact O-N 3.29Å; N23-T25 VanDerWaalsContact C-N 3.33Å; N23-T25 PolarHBondContact O-N 2.96Å; N23-A26 PolarHBondContact O-N 2.9Å; N23-V27 WeakPolarHBondContact O-CB 3.38Å; N23-V27 WeakPolarHBondContact O-CG2 3.43Å; N23-V27 PolarHBondContact O-N 3.37Å; N23-H91 PolarHBondContact OD1-CE1 3.1Å; N23-H91 VanDerWaalsContact OD1-CE1 3.3Å; N23-A93 HydrophobicContact CB-CB 3.99Å; N23-I545 HydrophobicContact CB-CG2 3.76Å
24	V	95	Very high	92.4	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.036	24%	0.236	C	C	.	.	H	α-helix	trans	-64.4	-39.2	179.6	178.2	0	0	0	0	111.1	R20 Q22 V27 K28 L123 E127	R20-V24 WeakPolarHBondContact O-CG2 3.22Å; R20-V24 PolarHBondContact O-N 3.47Å; Q22-V24 PolarHBondContact O-N 3.38Å; V24-V27 PolarHBondContact O-N 3.31Å; V24-K28 HydrophobicContact CG1-CD 3.79Å; V24-K28 HydrophobicContact CG1-CG 4.2Å; V24-K28 WeakPolarHBondContact O-CB 3.26Å; V24-K28 VanDerWaalsContact O-CG 3.24Å; V24-K28 WeakPolarHBondContact O-CG 3.41Å; V24-K28 PolarHBondContact O-N 3.08Å; V24-L123 HydrophobicContact CG2-CB 4.19Å; V24-E127 HydrophobicContact CG1-CB 4.42Å; V24-E127 VanDerWaalsContact CG1-OE2 3.28Å; V24-E127 WeakPolarHBondContact CG1-OE2 3.16Å; V24-E127 HydrophobicContact CG2-CB 4.24Å; V24-E127 HydrophobicContact CG2-CG 4.42Å
25	T	95.4	Very high	92.8	Very high	89 Å²	89	40.5 Å²	40.5	55%	0.546	24%	0.235	S	C	.	.	H	α-helix	trans	-63.2	-45.5	176.1	-58	0	0	0	0	111.7	S21 Q22 N23 V27 K28 A29	S21-T25 WeakPolarHBondContact O-CB 3.16Å; S21-T25 PolarHBondContact O-N 3.48Å; S21-T25 PolarHBondContact O-OG1 3.13Å; Q22-T25 PolarHBondContact O-N 3.42Å; N23-T25 VanDerWaalsContact C-N 3.33Å; N23-T25 PolarHBondContact O-N 2.96Å; T25-V27 VanDerWaalsContact C-N 3.33Å; T25-V27 PolarHBondContact O-N 3.42Å; T25-K28 PolarHBondContact O-N 3.45Å; T25-A29 PolarHBondContact O-N 3.39Å
26	A	94.8	Very high	93.1	Very high	20 Å²	20	40.3 Å²	40.3	17%	0.165	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-41.8	178.3	0	0	0	0	0	111.9	Q22 N23 A29 I30 H91	Q22-A26 WeakPolarHBondContact O-CB 3.3Å; Q22-A26 PolarHBondContact O-N 2.58Å; N23-A26 PolarHBondContact O-N 2.9Å; A26-A29 PolarHBondContact O-N 3.35Å; A26-I30 PolarHBondContact O-N 3.3Å; A26-H91 HydrophobicContact CB-CB 4.09Å; A26-H91 WeakPolarHBondContact CB-ND1 3.17Å
27	V	95.9	Very high	93.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.3	-46.1	176.4	164.6	0	0	0	0	111.8	N23 V24 T25 A29 I30 A31 A93 M97 A120 L123 I545	N23-V27 WeakPolarHBondContact O-CB 3.38Å; N23-V27 WeakPolarHBondContact O-CG2 3.43Å; N23-V27 PolarHBondContact O-N 3.37Å; V24-V27 PolarHBondContact O-N 3.31Å; T25-V27 VanDerWaalsContact C-N 3.33Å; T25-V27 PolarHBondContact O-N 3.42Å; V27-A29 VanDerWaalsContact C-N 3.26Å; V27-A29 PolarHBondContact O-N 2.86Å; V27-I30 PolarHBondContact O-N 3.35Å; V27-I30 VanDerWaalsContact O-N 3.16Å; V27-A31 PolarHBondContact O-N 3.24Å; V27-A93 HydrophobicContact CG2-CB 4.21Å; V27-M97 HydrophobicContact CB-CE 4.11Å; V27-M97 HydrophobicContact CG1-CE 3.18Å; V27-M97 HydrophobicContact CG1-CG 4.25Å; V27-M97 HydrophobicContact CG2-CE 3.78Å; V27-M97 HydrophobicContact CG2-CG 3.97Å; V27-A120 VanDerWaalsContact CG1-CA 3.48Å; V27-A120 HydrophobicContact CG1-CB 3.45Å; V27-A120 VanDerWaalsContact CG1-CB 3.45Å; V27-L123 HydrophobicContact CB-CD1 4.3Å; V27-L123 HydrophobicContact CG1-CD1 3.96Å; V27-L123 HydrophobicContact CG2-CD1 3.99Å; V27-I545 HydrophobicContact CG2-CD1 3.98Å
28	K	95.5	Very high	93.8	Very high	57 Å²	57	35.4 Å²	35.4	25%	0.248	20%	0.199	C	C	.	.	H	α-helix	trans	-58	-40.2	176.4	-77.8	170.4	177.8	164.9	0	111.1	V24 T25 I30 A31 N32 K124 E127	V24-K28 HydrophobicContact CG1-CD 3.79Å; V24-K28 HydrophobicContact CG1-CG 4.2Å; V24-K28 WeakPolarHBondContact O-CB 3.26Å; V24-K28 VanDerWaalsContact O-CG 3.24Å; V24-K28 WeakPolarHBondContact O-CG 3.41Å; V24-K28 PolarHBondContact O-N 3.08Å; T25-K28 PolarHBondContact O-N 3.45Å; K28-I30 PolarHBondContact O-N 3.23Å; K28-A31 PolarHBondContact O-N 2.63Å; K28-N32 WeakPolarHBondContact O-CB 3.35Å; K28-N32 PolarHBondContact O-N 2.78Å; K28-N32 PolarHBondContact O-ND2 3.36Å; K28-K124 VanDerWaalsContact CE-CG 3.43Å; K28-E127 IonicContact NZ-OE2 2.98Å; K28-E127 PolarHBondContact NZ-OE2 2.8Å
29	A	94.9	Very high	93.9	Very high	53 Å²	53	33.3 Å²	33.3	44%	0.438	19%	0.186	S	C	.	.	H	α-helix	trans	-60.6	-44.9	176.7	0	0	0	0	0	111.8	T25 A26 V27 N32 I33	T25-A29 PolarHBondContact O-N 3.39Å; A26-A29 PolarHBondContact O-N 3.35Å; V27-A29 VanDerWaalsContact C-N 3.26Å; V27-A29 PolarHBondContact O-N 2.86Å; A29-N32 PolarHBondContact O-N 2.59Å; A29-I33 WeakPolarHBondContact O-CG1 3.41Å; A29-I33 PolarHBondContact O-N 2.88Å
30	I	94.2	Very high	93.7	Very high	11 Å²	11	36.3 Å²	36.3	6%	0.056	21%	0.206	C	C	.	.	H	α-helix	trans	-66	-45.2	177.7	-71.3	173.1	0	0	0	111.6	A26 V27 K28 N32 I33 V34 L84 V89 G94 M97 V116	A26-I30 PolarHBondContact O-N 3.3Å; V27-I30 PolarHBondContact O-N 3.35Å; V27-I30 VanDerWaalsContact O-N 3.16Å; K28-I30 PolarHBondContact O-N 3.23Å; I30-N32 VanDerWaalsContact C-N 3.3Å; I30-N32 PolarHBondContact O-N 3.02Å; I30-I33 WeakPolarHBondContact O-CB 3.35Å; I30-I33 PolarHBondContact O-N 3.03Å; I30-I33 VanDerWaalsContact O-N 3.16Å; I30-V34 PolarHBondContact O-N 3.35Å; I30-L84 HydrophobicContact CG2-CD1 4.24Å; I30-L84 HydrophobicContact CG2-CD2 3.52Å; I30-V89 HydrophobicContact CD1-CG1 3.91Å; I30-V89 HydrophobicContact CD1-CG2 4.24Å; I30-G94 WeakPolarHBondContact CD1-O 3.42Å; I30-M97 HydrophobicContact CD1-CB 4.46Å; I30-M97 HydrophobicContact CG2-CB 4.14Å; I30-V116 HydrophobicContact CG2-CG1 4.1Å
31	A	95.2	Very high	93.5	Very high	2 Å²	2	36.6 Å²	36.6	2%	0.017	21%	0.213	C	C	.	.	H	α-helix	trans	-62.1	-38.8	177.5	0	0	0	0	0	112	V27 K28 I33 V34 R35 V116 A120	V27-A31 PolarHBondContact O-N 3.24Å; K28-A31 PolarHBondContact O-N 2.63Å; A31-I33 VanDerWaalsContact C-N 3.26Å; A31-I33 PolarHBondContact O-N 3.32Å; A31-V34 WeakPolarHBondContact O-CG2 3.36Å; A31-V34 PolarHBondContact O-N 2.85Å; A31-R35 VanDerWaalsContact O-CB 3.29Å; A31-R35 WeakPolarHBondContact O-CB 3.38Å; A31-R35 PolarHBondContact O-N 3.05Å; A31-V116 HydrophobicContact CB-CG1 4.41Å; A31-A120 HydrophobicContact CB-CB 3.34Å
32	N	94.8	Very high	93.2	Very high	89 Å²	89	35.5 Å²	35.5	48%	0.476	21%	0.207	S	C	.	.	H	α-helix	trans	-63.9	-29.7	176.6	-76.4	-18.7	0	0	0	113.2	K28 A29 I30 R35	K28-N32 WeakPolarHBondContact O-CB 3.35Å; K28-N32 PolarHBondContact O-N 2.78Å; K28-N32 PolarHBondContact O-ND2 3.36Å; A29-N32 PolarHBondContact O-N 2.59Å; I30-N32 VanDerWaalsContact C-N 3.3Å; I30-N32 PolarHBondContact O-N 3.02Å; N32-R35 PolarHBondContact OD1-NH1 3.46Å
33	I	93.6	Very high	93	Very high	64 Å²	64	37.8 Å²	37.8	33%	0.328	22%	0.22	S	C	.	.	H	α-helix	trans	-62.6	-57	173.2	-65.1	166.9	0	0	0	108.4	A29 I30 A31 R35 K45 I83 L87	A29-I33 WeakPolarHBondContact O-CG1 3.41Å; A29-I33 PolarHBondContact O-N 2.88Å; I30-I33 WeakPolarHBondContact O-CB 3.35Å; I30-I33 PolarHBondContact O-N 3.03Å; I30-I33 VanDerWaalsContact O-N 3.16Å; A31-I33 VanDerWaalsContact C-N 3.26Å; A31-I33 PolarHBondContact O-N 3.32Å; I33-R35 VanDerWaalsContact C-N 3.32Å; I33-R35 PolarHBondContact O-N 3.17Å; I33-K45 HydrophobicContact CG2-CD 4.05Å; I33-K45 WeakPolarHBondContact O-CE 3.37Å; I33-K45 PolarHBondContact O-NZ 3.04Å; I33-I83 HydrophobicContact CG2-CG2 4.09Å; I33-L87 HydrophobicContact CD1-CD1 3.8Å; I33-L87 HydrophobicContact CG2-CD1 4.24Å
34	V	93.9	Very high	92.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-76.9	-14.4	-174.9	-60	0	0	0	0	114.1	I30 A31 S36 S37 I83 L84 T113 V116 I117	I30-V34 PolarHBondContact O-N 3.35Å; A31-V34 WeakPolarHBondContact O-CG2 3.36Å; A31-V34 PolarHBondContact O-N 2.85Å; V34-S36 PolarHBondContact O-N 3.3Å; V34-S37 PolarHBondContact O-N 3.43Å; V34-S37 PolarHBondContact O-OG 2.86Å; V34-I83 HydrophobicContact CG1-CG2 4.28Å; V34-L84 HydrophobicContact CG1-CD1 4.3Å; V34-L84 HydrophobicContact CG1-CD2 3.87Å; V34-L84 HydrophobicContact CG1-CG 3.95Å; V34-T113 HydrophobicContact CB-CG2 4.05Å; V34-T113 HydrophobicContact CG2-CG2 4.21Å; V34-T113 WeakPolarHBondContact O-CG2 3.31Å; V34-V116 HydrophobicContact CG2-CB 4.34Å; V34-V116 HydrophobicContact CG2-CG1 4.08Å; V34-I117 HydrophobicContact CG2-CG1 4.28Å
35	R	94.7	Very high	92.4	Very high	69 Å²	69	41.5 Å²	41.5	26%	0.26	24%	0.238	S	C	.	.	H	α-helix	trans	-55.5	-38.4	-178.4	-174.2	172.7	-101.1	151.9	-8.9	112.9	A31 N32 I33 S37 L38 E121 V472 N476	A31-R35 VanDerWaalsContact O-CB 3.29Å; A31-R35 WeakPolarHBondContact O-CB 3.38Å; A31-R35 PolarHBondContact O-N 3.05Å; N32-R35 PolarHBondContact OD1-NH1 3.46Å; I33-R35 VanDerWaalsContact C-N 3.32Å; I33-R35 PolarHBondContact O-N 3.17Å; R35-S37 VanDerWaalsContact C-N 3.28Å; R35-S37 PolarHBondContact O-N 3.29Å; R35-L38 PolarHBondContact O-N 3.34Å; R35-E121 IonicContact NH2-OE2 2.67Å; R35-E121 PolarHBondContact NH2-OE2 3.32Å; R35-E121 VanDerWaalsContact NH2-OE2 3.08Å; R35-V472 HydrophobicContact CG-CB 4.27Å; R35-V472 HydrophobicContact CG-CG1 3.53Å; R35-V472 HydrophobicContact CG-CG2 3.65Å; R35-V472 VanDerWaalsContact NE-CG2 3.25Å; R35-V472 WeakPolarHBondContact O-CG1 3.39Å; R35-N476 PolarHBondContact O-ND2 3.44Å
36	S	93.7	Very high	92.2	Very high	49 Å²	49	43.3 Å²	43.3	34%	0.343	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-10.8	-178.2	78.7	0	0	0	0	114.5	V34 G42 L43 K45	V34-S36 PolarHBondContact O-N 3.3Å; S36-G42 CarbonylContact O-C 3.41Å; S36-G42 WeakPolarHBondContact O-CA 3.48Å; S36-L43 PolarHBondContact O-N 3.25Å; S36-K45 PolarHBondContact OG-NZ 3Å
37	S	92.1	Very high	91.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-4.6	177.1	63.4	0	0	0	0	112.9	V34 R35 G39 N78	V34-S37 PolarHBondContact O-N 3.43Å; V34-S37 PolarHBondContact O-OG 2.86Å; R35-S37 VanDerWaalsContact C-N 3.28Å; R35-S37 PolarHBondContact O-N 3.29Å; S37-G39 PolarHBondContact O-N 3.47Å; S37-N78 PolarHBondContact O-ND2 3.36Å; S37-N78 PolarHBondContact O-OD1 3.03Å; S37-N78 PolarHBondContact OG-O 3.3Å
38	L	93.6	Very high	91.5	Very high	14 Å²	14	46.9 Å²	46.9	7%	0.073	26%	0.261	C	S	.	.			trans	-74.2	129.3	-179.4	-174.1	70.8	0	0	0	112.2	R35 T113 S114 I117 I469 V472 L473 N476	R35-L38 PolarHBondContact O-N 3.34Å; L38-T113 HydrophobicContact CB-CG2 3.91Å; L38-T113 HydrophobicContact CD1-CG2 3.95Å; L38-S114 WeakPolarHBondContact CD1-OG 3.48Å; L38-I117 HydrophobicContact CB-CD1 4.11Å; L38-I117 HydrophobicContact CD2-CD1 3.85Å; L38-I117 HydrophobicContact CG-CD1 4.41Å; L38-I469 HydrophobicContact CD2-CD1 4.25Å; L38-I469 HydrophobicContact CD2-CG2 4.35Å; L38-V472 HydrophobicContact CB-CG1 3.93Å; L38-V472 HydrophobicContact CD2-CB 3.97Å; L38-V472 HydrophobicContact CD2-CG1 3.66Å; L38-V472 HydrophobicContact CG-CG1 4.36Å; L38-L473 HydrophobicContact CD2-CD2 4.2Å; L38-L473 HydrophobicContact CD2-CG 4.29Å; L38-L473 HydrophobicContact CG-CD2 3.91Å; L38-N476 PolarHBondContact O-ND2 3.13Å
39	G	91.2	Very high	90.7	Very high	12 Å²	12	47.4 Å²	47.4	12%	0.124	27%	0.266	C	S	.	.	S	Bend	trans	94.8	169.7	171.5	0	0	0	0	0	114	S37 V41 G42 S180	S37-G39 PolarHBondContact O-N 3.47Å; G39-V41 PolarHBondContact O-N 3.41Å; G39-G42 PolarHBondContact O-N 3.18Å; G39-S180 WeakPolarHBondContact O-CB 3.38Å
40	P	88	Confident	89.7	Confident	63 Å²	63	50.9 Å²	50.9	41%	0.409	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-30.1	-177.2	23.7	-34.2	0	0	0	114.1	S179 L511	P40-S179 VanDerWaalsContact CA-O 3.29Å; P40-S179 WeakPolarHBondContact CA-O 3.39Å; P40-L511 HydrophobicContact CG-CD1 3.8Å
41	V	87.2	Confident	88	Confident	52 Å²	52	54.6 Å²	54.6	32%	0.315	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	4.8	177.1	-66.3	0	0	0	0	112.6	G39 N476 A477 L511	G39-V41 PolarHBondContact O-N 3.41Å; V41-N476 HydrophobicContact CG2-CB 4.16Å; V41-A477 HydrophobicContact CG2-CB 3.81Å; V41-L511 HydrophobicContact CG1-CB 4.47Å; V41-L511 HydrophobicContact CG2-CB 4.42Å; V41-L511 HydrophobicContact CG2-CD1 3.95Å
42	G	86.1	Confident	85.7	Confident	9 Å²	9	55.1 Å²	55.1	9%	0.093	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-68.6	145.4	173.6	0	0	0	0	0	111	S36 G39	S36-G42 CarbonylContact O-C 3.41Å; S36-G42 WeakPolarHBondContact O-CA 3.48Å; G39-G42 PolarHBondContact O-N 3.18Å
43	L	87.9	Confident	83.2	Confident	129 Å²	129	55.2 Å²	55.2	68%	0.675	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-103.6	139.5	-177	-62	176.3	0	0	0	111.7	S36	S36-L43 PolarHBondContact O-N 3.25Å
44	D	88.7	Confident	80.5	Confident	49 Å²	49	57 Å²	57	26%	0.262	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-65.2	158.6	177.9	-62.5	-4.4	0	0	0	112	I76 N78	D44-I76 HydrophobicContact CB-CG2 4Å; D44-N78 VanDerWaalsContact OD1-CB 3.23Å; D44-N78 WeakPolarHBondContact OD1-CB 3.09Å; D44-N78 PolarHBondContact OD1-ND2 3.01Å
45	K	90.1	Very high	77.8	Confident	40 Å²	40	63 Å²	63	17%	0.174	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.8	174.6	-60.1	-168.4	-168.5	-64.3	0	110.8	I33 S36 I76 T77 I83	I33-K45 HydrophobicContact CG2-CD 4.05Å; I33-K45 WeakPolarHBondContact O-CE 3.37Å; I33-K45 PolarHBondContact O-NZ 3.04Å; S36-K45 PolarHBondContact OG-NZ 3Å; K45-I76 WeakPolarHBondContact O-CA 3.4Å; K45-T77 PolarHBondContact N-O 2.97Å; K45-T77 PolarHBondContact O-N 3.27Å; K45-I83 HydrophobicContact CB-CD1 4.31Å; K45-I83 HydrophobicContact CB-CG1 4.45Å; K45-I83 HydrophobicContact CD-CD1 3.89Å; K45-I83 HydrophobicContact CD-CG1 4.36Å; K45-I83 HydrophobicContact CD-CG2 4.06Å; K45-I83 HydrophobicContact CG-CD1 4.09Å
46	M	90.4	Very high	74.9	Confident	128 Å²	128	67.4 Å²	67.4	63%	0.631	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.4	168	-171.4	177.4	73	0	0	109.3	V48 V74 I76	M46-V48 HydrophobicContact CE-CG2 4.13Å; M46-V48 HydrophobicContact CG-CG2 4.34Å; M46-V74 HydrophobicContact CG-CG1 3.4Å; M46-V74 HydrophobicContact SD-CG1 3.81Å; M46-I76 HydrophobicContact CB-CG1 4.46Å; M46-I76 HydrophobicContact CG-CG1 4.21Å
47	L	88.5	Confident	71.9	Confident	27 Å²	27	69 Å²	69	14%	0.141	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	124.1	176.8	-62.1	165.5	0	0	0	107.8	V74 V75 I83 M86	L47-V74 WeakPolarHBondContact O-CA 3.46Å; L47-V75 PolarHBondContact N-O 3.32Å; L47-V75 PolarHBondContact O-N 3.01Å; L47-I83 HydrophobicContact CD1-CB 4.45Å; L47-I83 HydrophobicContact CD1-CG1 4.33Å; L47-M86 HydrophobicContact CD1-CB 3.82Å; L47-M86 HydrophobicContact CD1-CG 4.02Å
48	V	87	Confident	69.1	Low	68 Å²	68	73.8 Å²	73.8	41%	0.412	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	117.3	-177.7	-175.6	0	0	0	0	107.3	M46 K72 V74	M46-V48 HydrophobicContact CE-CG2 4.13Å; M46-V48 HydrophobicContact CG-CG2 4.34Å; V48-K72 HydrophobicContact CG1-CB 3.65Å; V48-K72 HydrophobicContact CG1-CD 3.48Å; V48-K72 VanDerWaalsContact CG1-CD 3.48Å; V48-K72 HydrophobicContact CG1-CG 4.22Å; V48-V74 HydrophobicContact CG2-CG2 4.37Å
49	D	80.1	Confident	66.2	Low	67 Å²	67	81.7 Å²	81.7	36%	0.358	46%	0.462	S	S	.	.			trans	-82.8	135.9	172.1	-159	-11.9	0	0	0	109.6	V51 K72 D73	D49-V51 PolarHBondContact O-N 2.82Å; D49-V51 WeakPolarHBondContact OD1-CG2 3.46Å; D49-V51 PolarHBondContact OD1-N 2.78Å; D49-K72 WeakPolarHBondContact O-CB 3.4Å; D49-D73 PolarHBondContact N-O 3.27Å
50	D	72.2	Confident	63.3	Low	127 Å²	127	89.5 Å²	89.5	68%	0.679	50%	0.497	S	S	*	.	S	Bend	trans	-78.8	-1.4	176.5	-78.4	-32.3	0	0	0	112.1	G52 K72	D50-G52 PolarHBondContact O-N 3.04Å; D50-K72 IonicContact OD1-NZ 2.79Å; D50-K72 PolarHBondContact OD1-NZ 2.91Å
51	V	59.4	Low	60.7	Low	89 Å²	89	95.6 Å²	95.6	54%	0.539	52%	0.518	S	S	.	.			trans	-74	63.9	167.4	-166.9	0	0	0	0	109.8	D49 V53	D49-V51 PolarHBondContact O-N 2.82Å; D49-V51 WeakPolarHBondContact OD1-CG2 3.46Å; D49-V51 PolarHBondContact OD1-N 2.78Å; V51-V53 PolarHBondContact O-N 3.09Å
52	G	47.2	Very low	58.2	Low	12 Å²	12	98.9 Å²	98.9	12%	0.124	54%	0.543	C	S	.	.			trans	-69.5	116.3	156.4	0	0	0	0	0	108	D50 T54	D50-G52 PolarHBondContact O-N 3.04Å; G52-T54 PolarHBondContact O-N 2.89Å
53	V	41.8	Very low	55.7	Low	92 Å²	92	108.6 Å²	108.6	56%	0.558	58%	0.583	S	S	*	*			trans	-61.8	103.1	177.6	-175.5	0	0	0	0	108.7	V51 I55	V51-V53 PolarHBondContact O-N 3.09Å; V53-I55 HydrophobicContact CB-CG1 4.24Å; V53-I55 HydrophobicContact CG1-CB 4.49Å; V53-I55 HydrophobicContact CG1-CG1 3.49Å; V53-I55 VanDerWaalsContact CG1-CG1 3.49Å; V53-I55 PolarHBondContact O-N 2.93Å
54	T	36.8	Very low	53.1	Low	100 Å²	100	109.1 Å²	109.1	61%	0.613	59%	0.585	S	S	*	*			trans	-69.9	88.9	160.3	-48.9	0	0	0	0	106.6	G52 H56	G52-T54 PolarHBondContact O-N 2.89Å; T54-H56 VanDerWaalsContact C-N 3.26Å; T54-H56 VanDerWaalsContact CG2-CE1 3.44Å; T54-H56 WeakPolarHBondContact CG2-CE1 3.49Å; T54-H56 VanDerWaalsContact CG2-ND1 3.32Å; T54-H56 WeakPolarHBondContact CG2-ND1 3.5Å; T54-H56 PolarHBondContact O-N 3.03Å
55	I	37	Very low	50.6	Low	126 Å²	126	113.2 Å²	113.2	65%	0.646	61%	0.612	S	S	*	*			trans	-67.4	92	171.4	-51.5	173.6	0	0	0	106.4	V53 S57	V53-I55 HydrophobicContact CB-CG1 4.24Å; V53-I55 HydrophobicContact CG1-CB 4.49Å; V53-I55 HydrophobicContact CG1-CG1 3.49Å; V53-I55 VanDerWaalsContact CG1-CG1 3.49Å; V53-I55 PolarHBondContact O-N 2.93Å; I55-S57 PolarHBondContact O-N 2.66Å
56	H	33.4	Very low	47.9	Very low	163 Å²	163	116 Å²	116	76%	0.755	63%	0.632	S	S	*	*			trans	-72.5	74.1	157.9	-79.8	27.2	0	0	0	107.3	T54 A58	T54-H56 VanDerWaalsContact C-N 3.26Å; T54-H56 VanDerWaalsContact CG2-CE1 3.44Å; T54-H56 WeakPolarHBondContact CG2-CE1 3.49Å; T54-H56 VanDerWaalsContact CG2-ND1 3.32Å; T54-H56 WeakPolarHBondContact CG2-ND1 3.5Å; T54-H56 PolarHBondContact O-N 3.03Å; H56-A58 PolarHBondContact O-N 2.91Å
57	S	31.8	Very low	45.3	Very low	82 Å²	82	115.6 Å²	115.6	57%	0.573	64%	0.637	S	S	*	*			trans	-71.1	89.3	160.4	59.3	0	0	0	0	106.3	I55 F59	I55-S57 PolarHBondContact O-N 2.66Å; S57-F59 PolarHBondContact O-N 3.47Å
58	A	32	Very low	43.4	Very low	100 Å²	100	120.2 Å²	120.2	83%	0.826	66%	0.661	S	S	*	*			trans	-68.2	73.2	162.7	0	0	0	0	0	108.1	H56 M60	H56-A58 PolarHBondContact O-N 2.91Å; A58-M60 PolarHBondContact O-N 3.39Å
59	F	33.6	Very low	41.2	Very low	180 Å²	180	124 Å²	124	79%	0.789	68%	0.678	S	S	*	*			trans	-75.1	107.8	160.5	-107.4	-88.9	0	0	0	106.6	S57 F61	S57-F59 PolarHBondContact O-N 3.47Å; F59-F61 PolarHBondContact O-N 3.33Å
60	M	30.8	Very low	39.6	Very low	177 Å²	177	123.4 Å²	123.4	87%	0.872	68%	0.677	S	S	*	*	S	Bend	trans	-73.1	46.5	-178.6	-162.3	-176.7	-169	0	0	111.6	A58	A58-M60 PolarHBondContact O-N 3.39Å
61	F	32.1	Very low	38.4	Very low	191 Å²	191	124.3 Å²	124.3	84%	0.838	68%	0.681	S	S	*	*	S	Bend	trans	-152.4	117.2	170	-83.9	-78.9	0	0	0	110.5	F59	F59-F61 PolarHBondContact O-N 3.33Å
62	S	34.8	Very low	38.4	Very low	120 Å²	120	125.1 Å²	125.1	84%	0.839	68%	0.677	S	S	*	*	S	Bend	trans	76.1	131.1	174.8	-159.2	0	0	0	0	118	L64	S62-L64 VanDerWaalsContact C-N 3.34Å; S62-L64 PolarHBondContact O-N 2.99Å
63	K	34.7	Very low	39.7	Very low	214 Å²	214	129.2 Å²	129.2	93%	0.93	70%	0.697	S	S	*	*	S	Bend	trans	-70.4	72.9	-178.4	-73.3	176.7	169.8	177.1	0	112.5
64	L	32.1	Very low	41.8	Very low	139 Å²	139	126.6 Å²	126.6	73%	0.728	68%	0.681	S	S	*	*			trans	-134	92.5	163.1	-159.6	81.7	0	0	0	109.5	S62 V66	S62-L64 VanDerWaalsContact C-N 3.34Å; S62-L64 PolarHBondContact O-N 2.99Å; L64-V66 HydrophobicContact CD2-CG2 3.67Å; L64-V66 HydrophobicContact CG-CG2 3.99Å; L64-V66 PolarHBondContact O-N 2.9Å
65	V	37.6	Very low	44.1	Very low	135 Å²	135	123.1 Å²	123.1	82%	0.818	66%	0.659	S	S	*	*			trans	-80	94.3	168.4	179.3	0	0	0	0	106.8	T67	V65-T67 PolarHBondContact O-N 2.8Å
66	V	32.2	Very low	46.6	Very low	100 Å²	100	120.1 Å²	120.1	61%	0.606	64%	0.644	S	S	*	*			trans	-79.9	101.6	165.3	-177.9	0	0	0	0	106.4	L64 I68	L64-V66 HydrophobicContact CD2-CG2 3.67Å; L64-V66 HydrophobicContact CG-CG2 3.99Å; L64-V66 PolarHBondContact O-N 2.9Å; V66-I68 VanDerWaalsContact C-N 3.26Å; V66-I68 HydrophobicContact CG1-CG1 3.91Å; V66-I68 PolarHBondContact O-N 2.87Å
67	T	36.5	Very low	49.2	Very low	119 Å²	119	112.3 Å²	112.3	73%	0.73	61%	0.608	S	S	*	*			trans	-71.3	89.6	167.8	-44.9	0	0	0	0	107.5	V65 L69	V65-T67 PolarHBondContact O-N 2.8Å; T67-L69 PolarHBondContact O-N 2.85Å
68	I	47.6	Very low	51.9	Low	124 Å²	124	108.7 Å²	108.7	64%	0.636	58%	0.582	S	S	*	*			trans	-66.3	113.7	166	-57.9	175.7	0	0	0	105.1	V66	V66-I68 VanDerWaalsContact C-N 3.26Å; V66-I68 HydrophobicContact CG1-CG1 3.91Å; V66-I68 PolarHBondContact O-N 2.87Å
69	L	42.2	Very low	54.5	Low	148 Å²	148	104.4 Å²	104.4	78%	0.775	55%	0.545	S	S	*	.			trans	-45.4	127.9	170.4	-93.2	149.7	0	0	0	107.6	T67 L71	T67-L69 PolarHBondContact O-N 2.85Å; L69-L71 PolarHBondContact O-N 3.24Å
70	P	45	Very low	57.2	Low	53 Å²	53	95.9 Å²	95.9	34%	0.344	51%	0.508	S	S	.	.			trans	-70.7	114.6	-171.1	35.7	-38.8	0	0	0	106.5	K72	P70-K72 PolarHBondContact O-N 3.12Å
71	L	48.5	Very low	60	Low	147 Å²	147	87.5 Å²	87.5	77%	0.77	47%	0.467	S	S	*	.			trans	-58.4	108.1	174.4	-82.5	154.7	0	0	0	105.8	L69 D73	L69-L71 PolarHBondContact O-N 3.24Å; L71-D73 PolarHBondContact O-N 2.9Å
72	K	59.2	Low	62.7	Low	105 Å²	105	78.7 Å²	78.7	46%	0.457	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-68.3	126.6	174	-65.8	-165.6	178.9	-160.7	0	106.9	V48 D49 D50 P70 V74	V48-K72 HydrophobicContact CG1-CB 3.65Å; V48-K72 HydrophobicContact CG1-CD 3.48Å; V48-K72 VanDerWaalsContact CG1-CD 3.48Å; V48-K72 HydrophobicContact CG1-CG 4.22Å; D49-K72 WeakPolarHBondContact O-CB 3.4Å; D50-K72 IonicContact OD1-NZ 2.79Å; D50-K72 PolarHBondContact OD1-NZ 2.91Å; P70-K72 PolarHBondContact O-N 3.12Å; K72-V74 WeakPolarHBondContact O-CG2 3.39Å; K72-V74 PolarHBondContact O-N 3.09Å; K72-V74 VanDerWaalsContact O-N 3.15Å
73	D	75	Confident	65.5	Low	99 Å²	99	73 Å²	73	53%	0.529	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-65.8	118.3	175.7	-79.4	-22.3	0	0	0	108.6	D49 L71	D49-D73 PolarHBondContact N-O 3.27Å; L71-D73 PolarHBondContact O-N 2.9Å
74	V	84	Confident	68.2	Low	37 Å²	37	62.8 Å²	62.8	22%	0.224	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.3	178.1	-176.6	0	0	0	0	108.3	M46 L47 V48 K72 I76 H404	M46-V74 HydrophobicContact CG-CG1 3.4Å; M46-V74 HydrophobicContact SD-CG1 3.81Å; L47-V74 WeakPolarHBondContact O-CA 3.46Å; V48-V74 HydrophobicContact CG2-CG2 4.37Å; K72-V74 WeakPolarHBondContact O-CG2 3.39Å; K72-V74 PolarHBondContact O-N 3.09Å; K72-V74 VanDerWaalsContact O-N 3.15Å; V74-I76 HydrophobicContact CG1-CG1 4.14Å; V74-H404 PolarHBondContact O-CE1 2.93Å; V74-H404 PolarHBondContact O-ND1 3.19Å
75	V	86.2	Confident	71	Confident	26 Å²	26	62.4 Å²	62.4	16%	0.158	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	117.9	172.2	-178.5	0	0	0	0	108	L47 T77 M86 R411	L47-V75 PolarHBondContact N-O 3.32Å; L47-V75 PolarHBondContact O-N 3.01Å; V75-T77 HydrophobicContact CG1-CG2 4.43Å; V75-M86 HydrophobicContact CG2-CE 4.14Å; V75-R411 VanDerWaalsContact CG1-NH1 3.31Å
76	I	89.3	Confident	73.5	Confident	63 Å²	63	59.7 Å²	59.7	32%	0.323	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	124.6	172.2	-56.4	174.1	0	0	0	106.9	D44 K45 M46 V74	D44-I76 HydrophobicContact CB-CG2 4Å; K45-I76 WeakPolarHBondContact O-CA 3.4Å; M46-I76 HydrophobicContact CB-CG1 4.46Å; M46-I76 HydrophobicContact CG-CG1 4.21Å; V74-I76 HydrophobicContact CG1-CG1 4.14Å
77	T	88.4	Confident	76.2	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	150.7	-178.7	-162.7	0	0	0	0	113.6	K45 V75 D79 T82 I83 E408 R411	K45-T77 PolarHBondContact N-O 2.97Å; K45-T77 PolarHBondContact O-N 3.27Å; V75-T77 HydrophobicContact CG1-CG2 4.43Å; T77-D79 PolarHBondContact OG1-N 3.48Å; T77-T82 HydrophobicContact CG2-CG2 4.14Å; T77-I83 HydrophobicContact CG2-CD1 4.49Å; T77-I83 HydrophobicContact CG2-CG1 3.73Å; T77-E408 VanDerWaalsContact CA-OE2 3.28Å; T77-E408 WeakPolarHBondContact CA-OE2 3.34Å; T77-E408 WeakPolarHBondContact CB-OE2 3.26Å; T77-E408 PolarHBondContact OG1-OE1 2.96Å; T77-E408 PolarHBondContact OG1-OE2 3.01Å; T77-R411 VanDerWaalsContact CB-NH1 3.31Å; T77-R411 PolarHBondContact OG1-NH1 2.87Å
78	N	88.5	Confident	78.7	Confident	5 Å²	5	59.6 Å²	59.6	3%	0.027	30%	0.299	C	S	.	.			trans	-92.5	-24.1	170.6	-159.9	-91.9	0	0	0	112.8	S37 D44 G80 S180 K181 E408	S37-N78 PolarHBondContact O-ND2 3.36Å; S37-N78 PolarHBondContact O-OD1 3.03Å; S37-N78 PolarHBondContact OG-O 3.3Å; D44-N78 VanDerWaalsContact OD1-CB 3.23Å; D44-N78 WeakPolarHBondContact OD1-CB 3.09Å; D44-N78 PolarHBondContact OD1-ND2 3.01Å; N78-G80 PolarHBondContact O-N 2.96Å; N78-S180 PolarHBondContact ND2-O 3.36Å; N78-S180 PolarHBondContact OD1-O 2.88Å; N78-S180 PolarHBondContact OD1-OG 3.22Å; N78-K181 HydrophobicContact CB-CG 4.45Å; N78-E408 PolarHBondContact N-OE1 3.13Å
79	D	86.1	Confident	80.8	Confident	11 Å²	11	55 Å²	55	6%	0.059	28%	0.277	C	S	.	.			trans	-66	118.6	-171.4	168.4	36.3	0	0	0	112.2	T77 A81 T82 I83 T112	T77-D79 PolarHBondContact OG1-N 3.48Å; D79-A81 VanDerWaalsContact C-N 3.29Å; D79-A81 PolarHBondContact O-N 2.97Å; D79-A81 PolarHBondContact OD1-N 3.15Å; D79-T82 PolarHBondContact O-N 3.39Å; D79-T82 VanDerWaalsContact OD2-CB 3.29Å; D79-T82 WeakPolarHBondContact OD2-CB 3.3Å; D79-T82 PolarHBondContact OD2-N 3.37Å; D79-T82 PolarHBondContact OD2-OG1 3.01Å; D79-I83 VanDerWaalsContact O-CG1 3.28Å; D79-I83 WeakPolarHBondContact O-CG1 3.3Å; D79-I83 PolarHBondContact O-N 3.19Å; D79-T112 PolarHBondContact OD1-OG1 2.85Å
80	G	89.3	Confident	83.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58	-37.5	178.7	0	0	0	0	0	113.2	N78 L84 T112 T113	N78-G80 PolarHBondContact O-N 2.96Å; G80-L84 WeakPolarHBondContact O-CB 3.05Å; G80-L84 WeakPolarHBondContact O-CG 3.46Å; G80-L84 PolarHBondContact O-N 2.77Å; G80-T112 PolarHBondContact N-OG1 2.85Å; G80-T113 PolarHBondContact N-OG1 3.41Å
81	A	90.8	Very high	85.4	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-67.9	-42.7	-179.9	0	0	0	0	0	111.3	D79 L84 R85 A101 D105 T112	D79-A81 VanDerWaalsContact C-N 3.29Å; D79-A81 PolarHBondContact O-N 2.97Å; D79-A81 PolarHBondContact OD1-N 3.15Å; A81-L84 PolarHBondContact O-N 2.95Å; A81-R85 WeakPolarHBondContact O-CB 3.36Å; A81-R85 PolarHBondContact O-N 3.38Å; A81-A101 HydrophobicContact CB-CB 4.3Å; A81-D105 HydrophobicContact CB-CB 3.85Å; A81-T112 HydrophobicContact CB-CG2 3.7Å
82	T	89.3	Confident	87.5	Confident	6 Å²	6	51.9 Å²	51.9	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-67.7	-41.8	177	-59.9	0	0	0	0	112.1	T77 D79 L84 R85 M86	T77-T82 HydrophobicContact CG2-CG2 4.14Å; D79-T82 PolarHBondContact O-N 3.39Å; D79-T82 VanDerWaalsContact OD2-CB 3.29Å; D79-T82 WeakPolarHBondContact OD2-CB 3.3Å; D79-T82 PolarHBondContact OD2-N 3.37Å; D79-T82 PolarHBondContact OD2-OG1 3.01Å; T82-L84 VanDerWaalsContact C-N 3.33Å; T82-L84 PolarHBondContact O-N 3.25Å; T82-R85 PolarHBondContact O-N 3.31Å; T82-R85 PolarHBondContact OG1-NH2 2.96Å; T82-M86 WeakPolarHBondContact O-CG 3.49Å; T82-M86 PolarHBondContact O-N 3.16Å
83	I	92.2	Very high	89.2	Confident	1 Å²	1	47 Å²	47	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-55.8	-51.4	174.2	-67.7	161.6	0	0	0	110.1	I33 V34 K45 L47 T77 D79 R85 M86 L87	I33-I83 HydrophobicContact CG2-CG2 4.09Å; V34-I83 HydrophobicContact CG1-CG2 4.28Å; K45-I83 HydrophobicContact CB-CD1 4.31Å; K45-I83 HydrophobicContact CB-CG1 4.45Å; K45-I83 HydrophobicContact CD-CD1 3.89Å; K45-I83 HydrophobicContact CD-CG1 4.36Å; K45-I83 HydrophobicContact CD-CG2 4.06Å; K45-I83 HydrophobicContact CG-CD1 4.09Å; L47-I83 HydrophobicContact CD1-CB 4.45Å; L47-I83 HydrophobicContact CD1-CG1 4.33Å; T77-I83 HydrophobicContact CG2-CD1 4.49Å; T77-I83 HydrophobicContact CG2-CG1 3.73Å; D79-I83 VanDerWaalsContact O-CG1 3.28Å; D79-I83 WeakPolarHBondContact O-CG1 3.3Å; D79-I83 PolarHBondContact O-N 3.19Å; I83-R85 VanDerWaalsContact C-N 3.32Å; I83-R85 PolarHBondContact O-N 3.48Å; I83-M86 PolarHBondContact O-N 3.33Å; I83-L87 HydrophobicContact CG2-CD1 4.33Å; I83-L87 WeakPolarHBondContact O-CG 3.31Å; I83-L87 PolarHBondContact O-N 3.47Å
84	L	93.1	Very high	90.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-69.3	-28.9	-175.9	-67.4	-178.1	0	0	0	113.4	I30 V34 G80 A81 T82 M86 L87 V98 A101 V116	I30-L84 HydrophobicContact CG2-CD1 4.24Å; I30-L84 HydrophobicContact CG2-CD2 3.52Å; V34-L84 HydrophobicContact CG1-CD1 4.3Å; V34-L84 HydrophobicContact CG1-CD2 3.87Å; V34-L84 HydrophobicContact CG1-CG 3.95Å; G80-L84 WeakPolarHBondContact O-CB 3.05Å; G80-L84 WeakPolarHBondContact O-CG 3.46Å; G80-L84 PolarHBondContact O-N 2.77Å; A81-L84 PolarHBondContact O-N 2.95Å; T82-L84 VanDerWaalsContact C-N 3.33Å; T82-L84 PolarHBondContact O-N 3.25Å; L84-M86 VanDerWaalsContact C-N 3.34Å; L84-L87 HydrophobicContact CD2-CD1 3.94Å; L84-L87 PolarHBondContact O-N 3.3Å; L84-V98 HydrophobicContact CB-CG1 4.35Å; L84-V98 HydrophobicContact CB-CG2 4.23Å; L84-V98 WeakPolarHBondContact O-CG1 3.32Å; L84-A101 HydrophobicContact CD1-CB 3.73Å; L84-V116 HydrophobicContact CD1-CG1 4.3Å; L84-V116 HydrophobicContact CD1-CG2 3.73Å
85	R	90.8	Very high	90.6	Very high	131 Å²	131	45.6 Å²	45.6	49%	0.494	22%	0.218	S	C	.	.	H	α-helix	trans	-67	-34.8	174.7	-178.2	174.7	64.7	-144.8	-5.8	112.5	A81 T82 I83 L87	A81-R85 WeakPolarHBondContact O-CB 3.36Å; A81-R85 PolarHBondContact O-N 3.38Å; T82-R85 PolarHBondContact O-N 3.31Å; T82-R85 PolarHBondContact OG1-NH2 2.96Å; I83-R85 VanDerWaalsContact C-N 3.32Å; I83-R85 PolarHBondContact O-N 3.48Å; R85-L87 VanDerWaalsContact C-N 3.35Å
86	M	88.4	Confident	91	Very high	77 Å²	77	46.5 Å²	46.5	38%	0.379	22%	0.222	S	C	.	.	H	α-helix	trans	-79.6	-18.5	-179.1	-65.1	-66.5	-73.8	0	0	112.7	L47 V75 T82 I83 L84	L47-M86 HydrophobicContact CD1-CB 3.82Å; L47-M86 HydrophobicContact CD1-CG 4.02Å; V75-M86 HydrophobicContact CG2-CE 4.14Å; T82-M86 WeakPolarHBondContact O-CG 3.49Å; T82-M86 PolarHBondContact O-N 3.16Å; I83-M86 PolarHBondContact O-N 3.33Å; L84-M86 VanDerWaalsContact C-N 3.34Å
87	L	89.4	Confident	91.3	Very high	55 Å²	55	43.5 Å²	43.5	29%	0.288	21%	0.206	S	C	.	.	S	Bend	trans	-79.3	128.9	179.1	-67.3	172.9	0	0	0	111.6	I33 I83 L84 R85 V89	I33-L87 HydrophobicContact CD1-CD1 3.8Å; I33-L87 HydrophobicContact CG2-CD1 4.24Å; I83-L87 HydrophobicContact CG2-CD1 4.33Å; I83-L87 WeakPolarHBondContact O-CG 3.31Å; I83-L87 PolarHBondContact O-N 3.47Å; L84-L87 HydrophobicContact CD2-CD1 3.94Å; L84-L87 PolarHBondContact O-N 3.3Å; R85-L87 VanDerWaalsContact C-N 3.35Å; L87-V89 HydrophobicContact CB-CG2 4.12Å; L87-V89 PolarHBondContact O-N 3.39Å
88	E	89.8	Confident	91.7	Very high	162 Å²	162	44.4 Å²	44.4	76%	0.757	21%	0.211	S	C	*	.			trans	-77	85.2	172.1	-163.5	-160.6	152.7	0	0	111.1	K90	E88-K90 PolarHBondContact O-N 2.96Å; E88-K90 VanDerWaalsContact OE1-CE 3.24Å; E88-K90 WeakPolarHBondContact OE1-CE 3.34Å
89	V	91.4	Very high	92	Very high	29 Å²	29	50 Å²	50	18%	0.176	24%	0.238	C	C	.	.			trans	-83.6	111	-179.5	-175.4	0	0	0	0	111.6	I30 L87 K95 V98	I30-V89 HydrophobicContact CD1-CG1 3.91Å; I30-V89 HydrophobicContact CD1-CG2 4.24Å; L87-V89 HydrophobicContact CB-CG2 4.12Å; L87-V89 PolarHBondContact O-N 3.39Å; V89-K95 HydrophobicContact CB-CG 4.44Å; V89-K95 HydrophobicContact CG1-CG 4.33Å; V89-K95 WeakPolarHBondContact O-CE 3.42Å; V89-K95 WeakPolarHBondContact O-CG 3.3Å; V89-V98 HydrophobicContact CB-CG2 4.24Å; V89-V98 HydrophobicContact CG2-CG2 3.67Å
90	K	90.7	Very high	92.5	Very high	163 Å²	163	50.1 Å²	50.1	71%	0.709	24%	0.238	S	C	*	.			trans	-81.6	-35.3	178.9	-65.6	-178.1	-179.4	174.1	0	113.6	E88	E88-K90 PolarHBondContact O-N 2.96Å; E88-K90 VanDerWaalsContact OE1-CE 3.24Å; E88-K90 WeakPolarHBondContact OE1-CE 3.34Å
91	H	92.8	Very high	92.8	Very high	49 Å²	49	50.1 Å²	50.1	23%	0.227	24%	0.238	C	C	.	.	S	Bend	trans	-74.9	132.2	-174.8	-168.5	-82.7	0	0	0	111.8	N23 A26 A93 G94 K95	N23-H91 PolarHBondContact OD1-CE1 3.1Å; N23-H91 VanDerWaalsContact OD1-CE1 3.3Å; A26-H91 HydrophobicContact CB-CB 4.09Å; A26-H91 WeakPolarHBondContact CB-ND1 3.17Å; H91-A93 WeakPolarHBondContact ND1-CB 3.32Å; H91-A93 PolarHBondContact ND1-N 3.38Å; H91-A93 VanDerWaalsContact ND1-N 3.18Å; H91-A93 PolarHBondContact O-N 2.86Å; H91-G94 WeakPolarHBondContact O-CA 3.49Å; H91-G94 PolarHBondContact O-N 3.4Å; H91-K95 PolarHBondContact O-N 2.91Å; H91-K95 VanDerWaalsContact O-N 3.07Å
92	P	93.3	Very high	92.9	Very high	70 Å²	70	53.7 Å²	53.7	46%	0.455	25%	0.254	S	S	.	.	H	α-helix	trans	-58.2	-46.6	-176.7	-25.5	33.9	0	0	0	114.2	G94 K95 I96	P92-G94 PolarHBondContact O-N 3.01Å; P92-G94 VanDerWaalsContact O-N 3.16Å; P92-K95 WeakPolarHBondContact O-CB 3.43Å; P92-K95 PolarHBondContact O-N 3.1Å; P92-I96 PolarHBondContact O-N 2.54Å; P92-I96 VanDerWaalsContact O-N 3.16Å
93	A	94.1	Very high	93.2	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-60.7	-27.1	176.7	0	0	0	0	0	112.6	N23 V27 H91 I545	N23-A93 HydrophobicContact CB-CB 3.99Å; V27-A93 HydrophobicContact CG2-CB 4.21Å; H91-A93 WeakPolarHBondContact ND1-CB 3.32Å; H91-A93 PolarHBondContact ND1-N 3.38Å; H91-A93 VanDerWaalsContact ND1-N 3.18Å; H91-A93 PolarHBondContact O-N 2.86Å; A93-I545 HydrophobicContact CB-CD1 4.42Å; A93-I545 HydrophobicContact CB-CG2 4.47Å
94	G	93.8	Very high	93.4	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-76.3	-37.5	175.5	0	0	0	0	0	113	I30 H91 P92 I96 M97 V98	I30-G94 WeakPolarHBondContact CD1-O 3.42Å; H91-G94 WeakPolarHBondContact O-CA 3.49Å; H91-G94 PolarHBondContact O-N 3.4Å; P92-G94 PolarHBondContact O-N 3.01Å; P92-G94 VanDerWaalsContact O-N 3.16Å; G94-I96 VanDerWaalsContact C-N 3.26Å; G94-I96 PolarHBondContact O-N 3.46Å; G94-M97 WeakPolarHBondContact O-CB 3.35Å; G94-M97 PolarHBondContact O-N 2.87Å; G94-V98 PolarHBondContact O-N 2.86Å; G94-V98 VanDerWaalsContact O-N 3.11Å
95	K	94.7	Very high	93.3	Very high	108 Å²	108	59 Å²	59	47%	0.47	28%	0.282	S	S	.	.	H	α-helix	trans	-59.9	-38.2	173	-68.3	-173.7	175.2	-171.7	0	111.9	V89 H91 P92 M97 V98 E99	V89-K95 HydrophobicContact CB-CG 4.44Å; V89-K95 HydrophobicContact CG1-CG 4.33Å; V89-K95 WeakPolarHBondContact O-CE 3.42Å; V89-K95 WeakPolarHBondContact O-CG 3.3Å; H91-K95 PolarHBondContact O-N 2.91Å; H91-K95 VanDerWaalsContact O-N 3.07Å; P92-K95 WeakPolarHBondContact O-CB 3.43Å; P92-K95 PolarHBondContact O-N 3.1Å; K95-M97 PolarHBondContact O-N 2.93Å; K95-V98 WeakPolarHBondContact O-CB 3.35Å; K95-V98 PolarHBondContact O-N 2.92Å; K95-V98 VanDerWaalsContact O-N 3.11Å; K95-E99 WeakPolarHBondContact O-CG 3.5Å; K95-E99 PolarHBondContact O-N 2.86Å
96	I	95.7	Very high	93.4	Very high	45 Å²	45	60.9 Å²	60.9	23%	0.231	29%	0.294	C	S	.	.	H	α-helix	trans	-56.8	-39.9	173.5	-64	172.9	0	0	0	110.8	P92 G94 E99 L100 A541 I545	P92-I96 PolarHBondContact O-N 2.54Å; P92-I96 VanDerWaalsContact O-N 3.16Å; G94-I96 VanDerWaalsContact C-N 3.26Å; G94-I96 PolarHBondContact O-N 3.46Å; I96-E99 PolarHBondContact O-N 3.31Å; I96-L100 VanDerWaalsContact O-CB 3.27Å; I96-L100 WeakPolarHBondContact O-CB 3.4Å; I96-L100 PolarHBondContact O-N 3.11Å; I96-A541 HydrophobicContact CG2-CB 4.49Å; I96-I545 HydrophobicContact CB-CD1 4.33Å; I96-I545 HydrophobicContact CD1-CD1 4.42Å; I96-I545 HydrophobicContact CD1-CG1 3.89Å; I96-I545 HydrophobicContact CG2-CD1 4.05Å; I96-I545 HydrophobicContact CG2-CG1 4.37Å
97	M	95.5	Very high	93.5	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-70.7	-35.1	176.7	-66.4	-53.5	-164.5	0	0	113.4	V27 I30 G94 K95 L100 A101 V116 A119 L123 I545	V27-M97 HydrophobicContact CB-CE 4.11Å; V27-M97 HydrophobicContact CG1-CE 3.18Å; V27-M97 HydrophobicContact CG1-CG 4.25Å; V27-M97 HydrophobicContact CG2-CE 3.78Å; V27-M97 HydrophobicContact CG2-CG 3.97Å; I30-M97 HydrophobicContact CD1-CB 4.46Å; I30-M97 HydrophobicContact CG2-CB 4.14Å; G94-M97 WeakPolarHBondContact O-CB 3.35Å; G94-M97 PolarHBondContact O-N 2.87Å; K95-M97 PolarHBondContact O-N 2.93Å; M97-L100 WeakPolarHBondContact O-CB 3.26Å; M97-L100 PolarHBondContact O-N 3.33Å; M97-L100 HydrophobicContact SD-CD2 3.73Å; M97-A101 PolarHBondContact O-N 2.88Å; M97-A101 VanDerWaalsContact O-N 3.11Å; M97-V116 HydrophobicContact CB-CG1 4.5Å; M97-A119 HydrophobicContact CE-CB 3.44Å; M97-A119 VanDerWaalsContact CE-CB 3.44Å; M97-A119 HydrophobicContact SD-CB 3.95Å; M97-L123 HydrophobicContact CE-CD1 3.94Å; M97-I545 HydrophobicContact CE-CD1 4.2Å
98	V	95.2	Very high	93.5	Very high	18 Å²	18	58.2 Å²	58.2	11%	0.109	28%	0.279	C	S	.	.	H	α-helix	trans	-63.7	-46.6	173.4	178.7	0	0	0	0	110.4	L84 V89 G94 K95 L100 A101 Q102	L84-V98 HydrophobicContact CB-CG1 4.35Å; L84-V98 HydrophobicContact CB-CG2 4.23Å; L84-V98 WeakPolarHBondContact O-CG1 3.32Å; V89-V98 HydrophobicContact CB-CG2 4.24Å; V89-V98 HydrophobicContact CG2-CG2 3.67Å; G94-V98 PolarHBondContact O-N 2.86Å; G94-V98 VanDerWaalsContact O-N 3.11Å; K95-V98 WeakPolarHBondContact O-CB 3.35Å; K95-V98 PolarHBondContact O-N 2.92Å; K95-V98 VanDerWaalsContact O-N 3.11Å; V98-L100 VanDerWaalsContact C-N 3.33Å; V98-L100 PolarHBondContact O-N 2.85Å; V98-A101 PolarHBondContact O-N 2.84Å; V98-Q102 WeakPolarHBondContact O-CG 3.05Å; V98-Q102 PolarHBondContact O-N 2.66Å; V98-Q102 VanDerWaalsContact O-N 3.14Å
99	E	95.3	Very high	93.3	Very high	124 Å²	124	50.6 Å²	50.6	58%	0.579	24%	0.244	S	C	*	.	H	α-helix	trans	-63.6	-38.5	177	-71	173.9	-169.1	0	0	111.9	K95 I96 Q102 L103	K95-E99 WeakPolarHBondContact O-CG 3.5Å; K95-E99 PolarHBondContact O-N 2.86Å; I96-E99 PolarHBondContact O-N 3.31Å; E99-Q102 PolarHBondContact O-N 2.96Å; E99-L103 WeakPolarHBondContact O-CB 3.43Å; E99-L103 PolarHBondContact O-N 3.02Å
100	L	96.3	Very high	93.2	Very high	12 Å²	12	50.9 Å²	50.9	6%	0.063	25%	0.245	C	C	.	.	H	α-helix	trans	-59.1	-46.8	175.5	179	65.4	0	0	0	112	I96 M97 V98 L103 Q104 V115 A119 F537 A541	I96-L100 VanDerWaalsContact O-CB 3.27Å; I96-L100 WeakPolarHBondContact O-CB 3.4Å; I96-L100 PolarHBondContact O-N 3.11Å; M97-L100 WeakPolarHBondContact O-CB 3.26Å; M97-L100 PolarHBondContact O-N 3.33Å; M97-L100 HydrophobicContact SD-CD2 3.73Å; V98-L100 VanDerWaalsContact C-N 3.33Å; V98-L100 PolarHBondContact O-N 2.85Å; L100-L103 PolarHBondContact O-N 3.48Å; L100-Q104 PolarHBondContact O-N 3.21Å; L100-V115 HydrophobicContact CD1-CG2 3.97Å; L100-V115 HydrophobicContact CD2-CG2 4.02Å; L100-V115 HydrophobicContact CG-CG1 4.25Å; L100-V115 HydrophobicContact CG-CG2 3.93Å; L100-A119 HydrophobicContact CD2-CB 3.84Å; L100-F537 HydrophobicContact CD1-CB 3.64Å; L100-A541 HydrophobicContact CD1-CB 4.1Å; L100-A541 HydrophobicContact CD2-CB 3.74Å; L100-A541 HydrophobicContact CG-CB 4.44Å
101	A	95.4	Very high	93.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.3	-42.6	178.3	0	0	0	0	0	111.8	A81 L84 M97 V98 L103 Q104 D105 V116	A81-A101 HydrophobicContact CB-CB 4.3Å; L84-A101 HydrophobicContact CD1-CB 3.73Å; M97-A101 PolarHBondContact O-N 2.88Å; M97-A101 VanDerWaalsContact O-N 3.11Å; V98-A101 PolarHBondContact O-N 2.84Å; A101-L103 VanDerWaalsContact C-N 3.33Å; A101-L103 PolarHBondContact O-N 3.32Å; A101-Q104 PolarHBondContact O-N 3.3Å; A101-D105 PolarHBondContact O-N 3.49Å; A101-V116 HydrophobicContact CB-CG2 3.86Å
102	Q	94.3	Very high	93.2	Very high	76 Å²	76	41.5 Å²	41.5	36%	0.355	21%	0.206	S	C	.	.	H	α-helix	trans	-65	-35.7	175.9	-69.2	177	5.8	0	0	112.7	V98 E99 K106	V98-Q102 WeakPolarHBondContact O-CG 3.05Å; V98-Q102 PolarHBondContact O-N 2.66Å; V98-Q102 VanDerWaalsContact O-N 3.14Å; E99-Q102 PolarHBondContact O-N 2.96Å; Q102-K106 WeakPolarHBondContact O-CB 3.49Å; Q102-K106 PolarHBondContact O-N 2.87Å
103	L	95.4	Very high	93.3	Very high	78 Å²	78	38.7 Å²	38.7	41%	0.408	19%	0.187	S	C	.	.	H	α-helix	trans	-65.3	-44.9	175.9	-176.9	66.2	0	0	0	110.8	E99 L100 A101 K106 E107 F537	E99-L103 WeakPolarHBondContact O-CB 3.43Å; E99-L103 PolarHBondContact O-N 3.02Å; L100-L103 PolarHBondContact O-N 3.48Å; A101-L103 VanDerWaalsContact C-N 3.33Å; A101-L103 PolarHBondContact O-N 3.32Å; L103-K106 PolarHBondContact O-N 2.93Å; L103-E107 HydrophobicContact CD1-CG 4.19Å; L103-E107 VanDerWaalsContact O-CB 3.28Å; L103-E107 WeakPolarHBondContact O-CB 3.01Å; L103-E107 PolarHBondContact O-N 3.31Å; L103-F537 HydrophobicContact CD2-CD1 4.44Å; L103-F537 HydrophobicContact CD2-CD2 4.42Å; L103-F537 HydrophobicContact CD2-CE1 4.34Å; L103-F537 HydrophobicContact CD2-CE2 4.33Å; L103-F537 HydrophobicContact CD2-CG 4.49Å; L103-F537 HydrophobicContact CD2-CZ 4.29Å; L103-F537 HydrophobicContact CG-CE2 4.22Å; L103-F537 HydrophobicContact CG-CZ 4.42Å
104	Q	95.3	Very high	93.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.2	-44.1	177	-179.4	64.7	22.9	0	0	111.7	L100 A101 E107 V108 G109 D110 V115 F537	L100-Q104 PolarHBondContact O-N 3.21Å; A101-Q104 PolarHBondContact O-N 3.3Å; Q104-E107 PolarHBondContact O-N 2.79Å; Q104-V108 WeakPolarHBondContact O-CB 3.35Å; Q104-V108 PolarHBondContact O-N 3.3Å; Q104-G109 PolarHBondContact O-N 3.27Å; Q104-D110 WeakPolarHBondContact CG-O 3.35Å; Q104-D110 PolarHBondContact NE2-O 3.45Å; Q104-V115 HydrophobicContact CB-CG1 3.89Å; Q104-V115 HydrophobicContact CG-CB 4.43Å; Q104-V115 HydrophobicContact CG-CG1 4.01Å; Q104-F537 VanDerWaalsContact OE1-CD2 3.23Å
105	D	92.4	Very high	93.5	Very high	40 Å²	40	39.4 Å²	39.4	21%	0.214	19%	0.192	C	C	.	.	H	α-helix	trans	-58.3	-48.7	174.8	-179.1	39	0	0	0	111.5	A81 A101 E107 G109 T112	A81-D105 HydrophobicContact CB-CB 3.85Å; A101-D105 PolarHBondContact O-N 3.49Å; D105-E107 PolarHBondContact O-N 3.47Å; D105-G109 WeakPolarHBondContact O-CA 3.06Å; D105-G109 PolarHBondContact O-N 3.35Å; D105-T112 HydrophobicContact CB-CG2 3.71Å
106	K	91.7	Very high	93.6	Very high	172 Å²	172	34.2 Å²	34.2	75%	0.748	17%	0.17	S	C	*	.	H	α-helix	trans	-66.3	-37.5	179.9	-173.4	-179.5	176	-173.2	0	113.7	Q102 L103	Q102-K106 WeakPolarHBondContact O-CB 3.49Å; Q102-K106 PolarHBondContact O-N 2.87Å; L103-K106 PolarHBondContact O-N 2.93Å
107	E	90.1	Very high	93.7	Very high	74 Å²	74	32.1 Å²	32.1	35%	0.346	16%	0.159	S	C	.	.	H	α-helix	trans	-87.8	-30.4	-174	-81.7	-63.5	140.4	0	0	114.1	L103 Q104 D105 R422 K533 F537	L103-E107 HydrophobicContact CD1-CG 4.19Å; L103-E107 VanDerWaalsContact O-CB 3.28Å; L103-E107 WeakPolarHBondContact O-CB 3.01Å; L103-E107 PolarHBondContact O-N 3.31Å; Q104-E107 PolarHBondContact O-N 2.79Å; D105-E107 PolarHBondContact O-N 3.47Å; E107-R422 PolarHBondContact O-NE 2.82Å; E107-R422 PolarHBondContact O-NH2 2.86Å; E107-K533 HydrophobicContact CB-CD 4.43Å; E107-K533 PolarHBondContact O-NZ 3.45Å; E107-K533 VanDerWaalsContact O-NZ 3.11Å; E107-K533 IonicContact OE2-NZ 3.45Å; E107-K533 PolarHBondContact OE2-NZ 3Å; E107-K533 VanDerWaalsContact OE2-NZ 3.07Å; E107-F537 HydrophobicContact CB-CE2 4.17Å; E107-F537 HydrophobicContact CB-CZ 4.4Å; E107-F537 HydrophobicContact CG-CE2 4.4Å; E107-F537 HydrophobicContact CG-CZ 4.25Å
108	V	90.2	Very high	93.8	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.012	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-45.7	-178.3	-178.9	0	0	0	0	110.6	Q104 D110 C418 K533	Q104-V108 WeakPolarHBondContact O-CB 3.35Å; Q104-V108 PolarHBondContact O-N 3.3Å; V108-D110 HydrophobicContact CG1-CB 4.48Å; V108-C418 WeakPolarHBondContact O-CB 3.5Å; V108-K533 HydrophobicContact CG2-CB 3.96Å; V108-K533 HydrophobicContact CG2-CD 3.3Å; V108-K533 HydrophobicContact CG2-CG 4.24Å
109	G	86.5	Confident	93.9	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.01	15%	0.154	C	C	.	.	S	Bend	trans	83.6	15.5	-172.4	0	0	0	0	0	113.5	Q104 D105 D415	Q104-G109 PolarHBondContact O-N 3.27Å; D105-G109 WeakPolarHBondContact O-CA 3.06Å; D105-G109 PolarHBondContact O-N 3.35Å; G109-D415 WeakPolarHBondContact O-CA 3.37Å; G109-D415 WeakPolarHBondContact O-CB 3.35Å
110	D	87.8	Confident	94	Very high	36 Å²	36	25.7 Å²	25.7	19%	0.193	13%	0.128	C	C	.	.	S	Bend	trans	-157.8	165.7	173.7	-173.5	29.9	0	0	0	110.2	Q104 V108	Q104-D110 WeakPolarHBondContact CG-O 3.35Å; Q104-D110 PolarHBondContact NE2-O 3.45Å; V108-D110 HydrophobicContact CG1-CB 4.48Å
111	G	91.5	Very high	94	Very high	7 Å²	7	25.6 Å²	25.6	7%	0.072	13%	0.127	C	C	.	.			trans	78.5	18.4	177.5	0	0	0	0	0	114.3	T113 S114 V115	G111-T113 VanDerWaalsContact C-N 3.35Å; G111-T113 PolarHBondContact O-N 2.92Å; G111-S114 PolarHBondContact O-N 3.47Å; G111-V115 PolarHBondContact O-N 2.94Å
112	T	93.6	Very high	94.1	Very high	7 Å²	7	25.6 Å²	25.6	4%	0.043	13%	0.127	C	C	.	.	H	α-helix	trans	-62	-40.6	-178.6	57.8	0	0	0	0	111.9	D79 G80 A81 D105 V115 V116	D79-T112 PolarHBondContact OD1-OG1 2.85Å; G80-T112 PolarHBondContact N-OG1 2.85Å; A81-T112 HydrophobicContact CB-CG2 3.7Å; D105-T112 HydrophobicContact CB-CG2 3.71Å; T112-V115 VanDerWaalsContact O-CG1 3.29Å; T112-V115 WeakPolarHBondContact O-CG1 3.37Å; T112-V116 WeakPolarHBondContact O-CG2 3.45Å
113	T	94.3	Very high	94.2	Very high	11 Å²	11	22 Å²	22	7%	0.067	11%	0.111	C	C	.	.	H	α-helix	trans	-70.9	-45.4	175.4	-57.1	0	0	0	0	111.7	V34 L38 G80 G111 V115 V116 I117	V34-T113 HydrophobicContact CB-CG2 4.05Å; V34-T113 HydrophobicContact CG2-CG2 4.21Å; V34-T113 WeakPolarHBondContact O-CG2 3.31Å; L38-T113 HydrophobicContact CB-CG2 3.91Å; L38-T113 HydrophobicContact CD1-CG2 3.95Å; G80-T113 PolarHBondContact N-OG1 3.41Å; G111-T113 VanDerWaalsContact C-N 3.35Å; G111-T113 PolarHBondContact O-N 2.92Å; T113-V115 PolarHBondContact O-N 3.2Å; T113-V116 PolarHBondContact O-N 2.86Å; T113-I117 HydrophobicContact CG2-CD1 3.67Å; T113-I117 HydrophobicContact CG2-CG1 4.47Å; T113-I117 WeakPolarHBondContact O-CG1 3.32Å; T113-I117 PolarHBondContact O-N 2.89Å; T113-I117 VanDerWaalsContact O-N 3.12Å
114	S	95.3	Very high	94.2	Very high	16 Å²	16	21.7 Å²	21.7	11%	0.112	11%	0.106	C	C	.	.	H	α-helix	trans	-62.9	-41	-176.7	-56.3	0	0	0	0	112.6	L38 G111 V116 I117 L118	L38-S114 WeakPolarHBondContact CD1-OG 3.48Å; G111-S114 PolarHBondContact O-N 3.47Å; S114-V116 VanDerWaalsContact C-N 3.32Å; S114-V116 PolarHBondContact O-N 2.91Å; S114-I117 PolarHBondContact O-N 2.93Å; S114-L118 WeakPolarHBondContact O-CB 3.47Å; S114-L118 PolarHBondContact O-N 3.38Å
115	V	97	Very high	94.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.7	-37.3	179.8	71.4	0	0	0	0	112.3	L100 Q104 G111 T112 T113 A119 I534 F537 A538	L100-V115 HydrophobicContact CD1-CG2 3.97Å; L100-V115 HydrophobicContact CD2-CG2 4.02Å; L100-V115 HydrophobicContact CG-CG1 4.25Å; L100-V115 HydrophobicContact CG-CG2 3.93Å; Q104-V115 HydrophobicContact CB-CG1 3.89Å; Q104-V115 HydrophobicContact CG-CB 4.43Å; Q104-V115 HydrophobicContact CG-CG1 4.01Å; G111-V115 PolarHBondContact O-N 2.94Å; T112-V115 VanDerWaalsContact O-CG1 3.29Å; T112-V115 WeakPolarHBondContact O-CG1 3.37Å; T113-V115 PolarHBondContact O-N 3.2Å; V115-A119 VanDerWaalsContact O-CB 3.29Å; V115-A119 WeakPolarHBondContact O-CB 3.43Å; V115-A119 PolarHBondContact O-N 2.88Å; V115-I534 HydrophobicContact CB-CG1 4.37Å; V115-I534 HydrophobicContact CB-CG2 4.23Å; V115-F537 HydrophobicContact CG2-CB 4.1Å; V115-A538 HydrophobicContact CG2-CB 3.99Å
116	V	97	Very high	94.3	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-72.1	-43.7	179.2	176.3	0	0	0	0	111.1	I30 A31 V34 L84 M97 A101 T112 T113 S114 A119 A120	I30-V116 HydrophobicContact CG2-CG1 4.1Å; A31-V116 HydrophobicContact CB-CG1 4.41Å; V34-V116 HydrophobicContact CG2-CB 4.34Å; V34-V116 HydrophobicContact CG2-CG1 4.08Å; L84-V116 HydrophobicContact CD1-CG1 4.3Å; L84-V116 HydrophobicContact CD1-CG2 3.73Å; M97-V116 HydrophobicContact CB-CG1 4.5Å; A101-V116 HydrophobicContact CB-CG2 3.86Å; T112-V116 WeakPolarHBondContact O-CG2 3.45Å; T113-V116 PolarHBondContact O-N 2.86Å; S114-V116 VanDerWaalsContact C-N 3.32Å; S114-V116 PolarHBondContact O-N 2.91Å; V116-A119 PolarHBondContact O-N 3.02Å; V116-A120 WeakPolarHBondContact O-CB 3.23Å; V116-A120 PolarHBondContact O-N 3.44Å
117	I	97.1	Very high	94.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.1	-46.5	177.9	-66.9	168.2	0	0	0	110.2	V34 L38 T113 S114 A120 E121 A468 I469 V472	V34-I117 HydrophobicContact CG2-CG1 4.28Å; L38-I117 HydrophobicContact CB-CD1 4.11Å; L38-I117 HydrophobicContact CD2-CD1 3.85Å; L38-I117 HydrophobicContact CG-CD1 4.41Å; T113-I117 HydrophobicContact CG2-CD1 3.67Å; T113-I117 HydrophobicContact CG2-CG1 4.47Å; T113-I117 WeakPolarHBondContact O-CG1 3.32Å; T113-I117 PolarHBondContact O-N 2.89Å; T113-I117 VanDerWaalsContact O-N 3.12Å; S114-I117 PolarHBondContact O-N 2.93Å; I117-A120 PolarHBondContact O-N 3.14Å; I117-E121 PolarHBondContact O-N 3.42Å; I117-A468 HydrophobicContact CG2-CB 4.41Å; I117-I469 HydrophobicContact CB-CD1 4.25Å; I117-I469 HydrophobicContact CG2-CD1 4.06Å; I117-V472 HydrophobicContact CD1-CG1 4.45Å; I117-V472 HydrophobicContact CG2-CG2 4.4Å
118	L	97.5	Very high	94.6	Very high	4 Å²	4	12.8 Å²	12.8	2%	0.021	7%	0.067	C	C	.	.	H	α-helix	trans	-63.6	-45.5	179.7	-179.2	62.8	0	0	0	111.7	S114 A120 E121 L122 L466 I534 L535 A538	S114-L118 WeakPolarHBondContact O-CB 3.47Å; S114-L118 PolarHBondContact O-N 3.38Å; L118-A120 VanDerWaalsContact C-N 3.26Å; L118-A120 PolarHBondContact O-N 3.16Å; L118-E121 PolarHBondContact O-N 2.64Å; L118-L122 HydrophobicContact CD1-CG 4.36Å; L118-L122 HydrophobicContact CG-CD1 4.23Å; L118-L122 HydrophobicContact CG-CG 4.48Å; L118-L122 WeakPolarHBondContact O-CG 3.46Å; L118-L122 PolarHBondContact O-N 3.44Å; L118-L466 HydrophobicContact CD1-CD2 3.99Å; L118-L466 HydrophobicContact CD2-CD2 4.42Å; L118-I534 HydrophobicContact CD2-CG2 4.1Å; L118-L535 HydrophobicContact CD2-CD2 3.74Å; L118-A538 HydrophobicContact CB-CB 4.12Å; L118-A538 HydrophobicContact CD2-CB 3.84Å; L118-A538 HydrophobicContact CG-CB 3.96Å
119	A	97.3	Very high	94.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.9	-36.5	178.8	0	0	0	0	0	111.9	M97 L100 V115 V116 L123 A538	M97-A119 HydrophobicContact CE-CB 3.44Å; M97-A119 VanDerWaalsContact CE-CB 3.44Å; M97-A119 HydrophobicContact SD-CB 3.95Å; L100-A119 HydrophobicContact CD2-CB 3.84Å; V115-A119 VanDerWaalsContact O-CB 3.29Å; V115-A119 WeakPolarHBondContact O-CB 3.43Å; V115-A119 PolarHBondContact O-N 2.88Å; V116-A119 PolarHBondContact O-N 3.02Å; A119-L123 WeakPolarHBondContact O-CG 3.24Å; A119-L123 PolarHBondContact O-N 3.23Å; A119-A538 HydrophobicContact CB-CB 3.9Å
120	A	97.2	Very high	95	Very high	3 Å²	3	13.4 Å²	13.4	3%	0.025	7%	0.07	C	C	.	.	H	α-helix	trans	-68.9	-40.1	175.4	0	0	0	0	0	113.2	V27 A31 V116 I117 L118 L123 K124	V27-A120 VanDerWaalsContact CG1-CA 3.48Å; V27-A120 HydrophobicContact CG1-CB 3.45Å; V27-A120 VanDerWaalsContact CG1-CB 3.45Å; A31-A120 HydrophobicContact CB-CB 3.34Å; V116-A120 WeakPolarHBondContact O-CB 3.23Å; V116-A120 PolarHBondContact O-N 3.44Å; I117-A120 PolarHBondContact O-N 3.14Å; L118-A120 VanDerWaalsContact C-N 3.26Å; L118-A120 PolarHBondContact O-N 3.16Å; A120-L123 PolarHBondContact O-N 3.43Å; A120-K124 PolarHBondContact O-N 2.87Å
121	E	97	Very high	95.2	Very high	10 Å²	10	16.3 Å²	16.3	5%	0.047	8%	0.081	C	C	.	.	H	α-helix	trans	-70.3	-39.8	178.4	-153.8	76.9	-163.3	0	0	111.5	R35 I117 L118 L123 K124 F125 A465 A468	R35-E121 IonicContact NH2-OE2 2.67Å; R35-E121 PolarHBondContact NH2-OE2 3.32Å; R35-E121 VanDerWaalsContact NH2-OE2 3.08Å; I117-E121 PolarHBondContact O-N 3.42Å; L118-E121 PolarHBondContact O-N 2.64Å; E121-L123 VanDerWaalsContact C-N 3.26Å; E121-L123 PolarHBondContact O-N 2.9Å; E121-K124 WeakPolarHBondContact O-CB 3.16Å; E121-K124 PolarHBondContact O-N 3.36Å; E121-K124 VanDerWaalsContact O-N 3.09Å; E121-K124 WeakPolarHBondContact OE1-CD 3.47Å; E121-K124 IonicContact OE1-NZ 3.51Å; E121-K124 PolarHBondContact OE1-NZ 3.24Å; E121-F125 HydrophobicContact CG-CD2 3.88Å; E121-F125 HydrophobicContact CG-CE2 3.55Å; E121-F125 WeakPolarHBondContact O-CD2 3.36Å; E121-F125 PolarHBondContact O-N 3.06Å; E121-A465 HydrophobicContact CB-CB 4.44Å; E121-A465 HydrophobicContact CG-CB 4.41Å; E121-A468 HydrophobicContact CB-CB 3.95Å; E121-A468 HydrophobicContact CG-CB 3.82Å
122	L	97.3	Very high	95.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-56.4	-41.2	173.1	-74.7	173.6	0	0	0	112.2	L118 A126 Y143 Y462 A465 A538 A542	L118-L122 HydrophobicContact CD1-CG 4.36Å; L118-L122 HydrophobicContact CG-CD1 4.23Å; L118-L122 HydrophobicContact CG-CG 4.48Å; L118-L122 WeakPolarHBondContact O-CG 3.46Å; L118-L122 PolarHBondContact O-N 3.44Å; L122-A126 VanDerWaalsContact O-CB 3.28Å; L122-A126 WeakPolarHBondContact O-CB 3.37Å; L122-A126 PolarHBondContact O-N 3.42Å; L122-Y143 HydrophobicContact CB-CE2 4.03Å; L122-Y143 HydrophobicContact CD2-CD2 4.37Å; L122-Y143 HydrophobicContact CD2-CE2 4Å; L122-Y143 WeakPolarHBondContact O-CE2 3.4Å; L122-Y143 PolarHBondContact O-OH 3.35Å; L122-Y462 HydrophobicContact CD1-CE2 3.95Å; L122-Y462 HydrophobicContact CD2-CD2 3.3Å; L122-Y462 HydrophobicContact CD2-CE2 3.52Å; L122-Y462 HydrophobicContact CD2-CG 3.89Å; L122-Y462 HydrophobicContact CG-CE2 4.41Å; L122-A465 HydrophobicContact CD2-CB 3.65Å; L122-A465 HydrophobicContact CG-CB 4.18Å; L122-A538 HydrophobicContact CD1-CB 4.46Å; L122-A542 HydrophobicContact CB-CB 3.96Å; L122-A542 HydrophobicContact CD1-CB 4.34Å
123	L	96.4	Very high	95.1	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-70.9	-34.5	177.1	-80.8	172.2	0	0	0	112.9	V24 V27 M97 A119 A120 E121 E127 A542 I545 L546	V24-L123 HydrophobicContact CG2-CB 4.19Å; V27-L123 HydrophobicContact CB-CD1 4.3Å; V27-L123 HydrophobicContact CG1-CD1 3.96Å; V27-L123 HydrophobicContact CG2-CD1 3.99Å; M97-L123 HydrophobicContact CE-CD1 3.94Å; A119-L123 WeakPolarHBondContact O-CG 3.24Å; A119-L123 PolarHBondContact O-N 3.23Å; A120-L123 PolarHBondContact O-N 3.43Å; E121-L123 VanDerWaalsContact C-N 3.26Å; E121-L123 PolarHBondContact O-N 2.9Å; L123-E127 PolarHBondContact O-N 3.33Å; L123-A542 HydrophobicContact CD2-CB 4.25Å; L123-A542 WeakPolarHBondContact CD2-O 3.26Å; L123-A542 HydrophobicContact CG-CB 3.95Å; L123-I545 HydrophobicContact CD1-CB 4.07Å; L123-I545 HydrophobicContact CD1-CD1 3.81Å; L123-I545 HydrophobicContact CD1-CG2 3.91Å; L123-I545 HydrophobicContact CD2-CB 4.09Å; L123-I545 HydrophobicContact CD2-CG2 3.94Å; L123-L546 HydrophobicContact CD2-CB 4.36Å
124	K	96.2	Very high	95	Very high	70 Å²	70	30.2 Å²	30.2	30%	0.304	14%	0.142	S	C	.	.	H	α-helix	trans	-61.6	-52.8	174.5	173.7	178.7	157	-152.2	0	111	K28 A120 E121 A126 E127 D128	K28-K124 VanDerWaalsContact CE-CG 3.43Å; A120-K124 PolarHBondContact O-N 2.87Å; E121-K124 WeakPolarHBondContact O-CB 3.16Å; E121-K124 PolarHBondContact O-N 3.36Å; E121-K124 VanDerWaalsContact O-N 3.09Å; E121-K124 WeakPolarHBondContact OE1-CD 3.47Å; E121-K124 IonicContact OE1-NZ 3.51Å; E121-K124 PolarHBondContact OE1-NZ 3.24Å; K124-A126 VanDerWaalsContact C-N 3.32Å; K124-A126 PolarHBondContact O-N 2.74Å; K124-E127 VanDerWaalsContact O-CB 3.24Å; K124-E127 WeakPolarHBondContact O-CB 3.29Å; K124-E127 PolarHBondContact O-N 3.45Å; K124-E127 VanDerWaalsContact O-N 3.14Å; K124-D128 PolarHBondContact O-N 3.1Å
125	F	95.4	Very high	94.8	Very high	25 Å²	25	35 Å²	35	11%	0.11	16%	0.162	C	C	.	.	H	α-helix	trans	-67.6	-33.9	-180	-73.1	-68.7	0	0	0	112.5	E121 E127 D128 L129 E461 E464 A465	E121-F125 HydrophobicContact CG-CD2 3.88Å; E121-F125 HydrophobicContact CG-CE2 3.55Å; E121-F125 WeakPolarHBondContact O-CD2 3.36Å; E121-F125 PolarHBondContact O-N 3.06Å; F125-E127 VanDerWaalsContact C-N 3.29Å; F125-E127 PolarHBondContact O-N 2.96Å; F125-D128 PolarHBondContact O-N 3.32Å; F125-L129 PolarHBondContact O-N 3.02Å; F125-L129 VanDerWaalsContact O-N 3.11Å; F125-E461 HydrophobicContact CB-CB 4.03Å; F125-E461 WeakPolarHBondContact CD1-OE2 3.36Å; F125-E464 HydrophobicContact CE1-CG 3.83Å; F125-E464 HydrophobicContact CE2-CB 4.46Å; F125-E464 HydrophobicContact CE2-CG 4.04Å; F125-E464 HydrophobicContact CZ-CB 4.22Å; F125-E464 HydrophobicContact CZ-CG 3.43Å; F125-E464 VanDerWaalsContact CZ-CG 3.43Å; F125-A465 HydrophobicContact CD2-CB 3.84Å; F125-A465 HydrophobicContact CE2-CB 4.24Å
126	A	94.9	Very high	94.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.7	-36	172.2	0	0	0	0	0	112.4	L122 K124 D128 I130 I139 Y143 L546	L122-A126 VanDerWaalsContact O-CB 3.28Å; L122-A126 WeakPolarHBondContact O-CB 3.37Å; L122-A126 PolarHBondContact O-N 3.42Å; K124-A126 VanDerWaalsContact C-N 3.32Å; K124-A126 PolarHBondContact O-N 2.74Å; A126-D128 VanDerWaalsContact C-N 3.33Å; A126-I130 VanDerWaalsContact O-CG1 3.27Å; A126-I130 WeakPolarHBondContact O-CG1 3.38Å; A126-I130 PolarHBondContact O-N 3.34Å; A126-I139 HydrophobicContact CB-CG2 4.02Å; A126-Y143 HydrophobicContact CB-CE2 4.18Å; A126-Y143 PolarHBondContact N-OH 3.35Å; A126-L546 HydrophobicContact CB-CD1 3.83Å; A126-L546 HydrophobicContact CB-CD2 4.04Å
127	E	93.9	Very high	94.4	Very high	18 Å²	18	38.6 Å²	38.6	8%	0.084	19%	0.187	C	C	.	.	H	α-helix	trans	-60.6	-43.1	174.2	-164.2	-169.1	173.7	0	0	111.4	S21 V24 K28 L123 K124 F125 I130 K131	S21-E127 PolarHBondContact OG-OE1 2.89Å; V24-E127 HydrophobicContact CG1-CB 4.42Å; V24-E127 VanDerWaalsContact CG1-OE2 3.28Å; V24-E127 WeakPolarHBondContact CG1-OE2 3.16Å; V24-E127 HydrophobicContact CG2-CB 4.24Å; V24-E127 HydrophobicContact CG2-CG 4.42Å; K28-E127 IonicContact NZ-OE2 2.98Å; K28-E127 PolarHBondContact NZ-OE2 2.8Å; L123-E127 PolarHBondContact O-N 3.33Å; K124-E127 VanDerWaalsContact O-CB 3.24Å; K124-E127 WeakPolarHBondContact O-CB 3.29Å; K124-E127 PolarHBondContact O-N 3.45Å; K124-E127 VanDerWaalsContact O-N 3.14Å; F125-E127 VanDerWaalsContact C-N 3.29Å; F125-E127 PolarHBondContact O-N 2.96Å; E127-I130 PolarHBondContact O-N 3.35Å; E127-K131 VanDerWaalsContact CD-NZ 3.31Å; E127-K131 WeakPolarHBondContact O-CG 3.42Å; E127-K131 PolarHBondContact O-N 3.03Å; E127-K131 WeakPolarHBondContact OE1-CE 3.37Å; E127-K131 IonicContact OE1-NZ 2.66Å; E127-K131 PolarHBondContact OE1-NZ 2.98Å; E127-K131 IonicContact OE2-NZ 3.04Å
128	D	93.5	Very high	94.2	Very high	57 Å²	57	40.5 Å²	40.5	31%	0.305	20%	0.197	S	C	.	.	H	α-helix	trans	-67.9	-40.1	-178.2	-65.1	-26.1	0	0	0	111.4	K124 F125 A126 I130 K131 Q132	K124-D128 PolarHBondContact O-N 3.1Å; F125-D128 PolarHBondContact O-N 3.32Å; A126-D128 VanDerWaalsContact C-N 3.33Å; D128-I130 VanDerWaalsContact C-N 3.34Å; D128-I130 PolarHBondContact O-N 3.35Å; D128-K131 WeakPolarHBondContact O-CB 3.42Å; D128-K131 PolarHBondContact O-N 2.91Å; D128-K131 IonicContact OD1-NZ 3.03Å; D128-Q132 WeakPolarHBondContact O-CG 3.47Å; D128-Q132 PolarHBondContact O-N 3.26Å; D128-Q132 VanDerWaalsContact O-N 3.12Å
129	L	93.2	Very high	94	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-38	171	-70.4	-177.3	0	0	0	112.8	F125 K131 Q132 K133 V134 I139 L457 E461	F125-L129 PolarHBondContact O-N 3.02Å; F125-L129 VanDerWaalsContact O-N 3.11Å; L129-K131 VanDerWaalsContact C-N 3.35Å; L129-Q132 CarbonylContact O-C 3.5Å; L129-Q132 WeakPolarHBondContact O-CB 2.92Å; L129-Q132 PolarHBondContact O-N 2.75Å; L129-K133 PolarHBondContact O-N 2.86Å; L129-V134 HydrophobicContact CB-CB 4.23Å; L129-V134 HydrophobicContact CB-CG2 4.36Å; L129-V134 HydrophobicContact CD2-CG2 4.5Å; L129-V134 VanDerWaalsContact O-CB 3.29Å; L129-V134 WeakPolarHBondContact O-CB 3.44Å; L129-V134 WeakPolarHBondContact O-CG2 3.5Å; L129-V134 PolarHBondContact O-N 2.85Å; L129-I139 HydrophobicContact CB-CD1 3.57Å; L129-I139 HydrophobicContact CB-CG1 4.17Å; L129-I139 HydrophobicContact CD1-CD1 4.12Å; L129-I139 HydrophobicContact CD1-CG1 3.9Å; L129-I139 HydrophobicContact CD1-CG2 4.15Å; L129-L457 HydrophobicContact CD1-CB 4.48Å; L129-L457 HydrophobicContact CD2-CB 4.32Å; L129-E461 HydrophobicContact CD1-CB 4.19Å; L129-E461 HydrophobicContact CD1-CG 3.66Å; L129-E461 HydrophobicContact CD2-CG 3.87Å; L129-E461 HydrophobicContact CG-CG 3.77Å
130	I	92.4	Very high	93.9	Very high	15 Å²	15	41 Å²	41	8%	0.077	20%	0.199	C	C	.	.	H	α-helix	trans	-64.9	-41	176.8	-72.5	168.2	0	0	0	110.9	A126 E127 D128 Q132 K133 P136 I139 L546	A126-I130 VanDerWaalsContact O-CG1 3.27Å; A126-I130 WeakPolarHBondContact O-CG1 3.38Å; A126-I130 PolarHBondContact O-N 3.34Å; E127-I130 PolarHBondContact O-N 3.35Å; D128-I130 VanDerWaalsContact C-N 3.34Å; D128-I130 PolarHBondContact O-N 3.35Å; I130-Q132 PolarHBondContact O-N 3.28Å; I130-K133 WeakPolarHBondContact O-CA 3.45Å; I130-K133 PolarHBondContact O-N 3.08Å; I130-P136 HydrophobicContact CD1-CG 4.02Å; I130-P136 HydrophobicContact CG1-CG 4.24Å; I130-I139 HydrophobicContact CD1-CD1 4.41Å; I130-I139 HydrophobicContact CG1-CD1 3.72Å; I130-L546 HydrophobicContact CD1-CD1 3.48Å; I130-L546 VanDerWaalsContact CD1-CD1 3.48Å; I130-L546 HydrophobicContact CD1-CG 4.48Å
131	K	91.5	Very high	93.7	Very high	96 Å²	96	43.4 Å²	43.4	42%	0.417	22%	0.216	S	C	.	.	H	α-helix	trans	-60.5	-35.2	174.8	-72.2	168.8	-174.8	158.2	0	111.6	E127 D128 L129 K133	E127-K131 VanDerWaalsContact CD-NZ 3.31Å; E127-K131 WeakPolarHBondContact O-CG 3.42Å; E127-K131 PolarHBondContact O-N 3.03Å; E127-K131 WeakPolarHBondContact OE1-CE 3.37Å; E127-K131 IonicContact OE1-NZ 2.66Å; E127-K131 PolarHBondContact OE1-NZ 2.98Å; E127-K131 IonicContact OE2-NZ 3.04Å; D128-K131 WeakPolarHBondContact O-CB 3.42Å; D128-K131 PolarHBondContact O-N 2.91Å; D128-K131 IonicContact OD1-NZ 3.03Å; L129-K131 VanDerWaalsContact C-N 3.35Å; K131-K133 PolarHBondContact O-N 3.04Å; K131-K133 VanDerWaalsContact O-N 3.15Å
132	Q	91.4	Very high	93.6	Very high	130 Å²	130	43 Å²	43	61%	0.607	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	12.6	171.5	-62.6	175.5	22.6	0	0	114.2	D128 L129 I130 V134	D128-Q132 WeakPolarHBondContact O-CG 3.47Å; D128-Q132 PolarHBondContact O-N 3.26Å; D128-Q132 VanDerWaalsContact O-N 3.12Å; L129-Q132 CarbonylContact O-C 3.5Å; L129-Q132 WeakPolarHBondContact O-CB 2.92Å; L129-Q132 PolarHBondContact O-N 2.75Å; I130-Q132 PolarHBondContact O-N 3.28Å; Q132-V134 VanDerWaalsContact C-N 3.3Å; Q132-V134 PolarHBondContact O-N 3.45Å
133	K	90.8	Very high	93.6	Very high	167 Å²	167	43 Å²	43	73%	0.726	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.6	23.4	178	-51.2	-59.1	-179.9	-169.4	0	114.8	L129 I130 K131	L129-K133 PolarHBondContact O-N 2.86Å; I130-K133 WeakPolarHBondContact O-CA 3.45Å; I130-K133 PolarHBondContact O-N 3.08Å; K131-K133 PolarHBondContact O-N 3.04Å; K131-K133 VanDerWaalsContact O-N 3.15Å
134	V	92.1	Very high	93.5	Very high	21 Å²	21	48.6 Å²	48.6	13%	0.127	24%	0.235	C	C	.	.			trans	-78.3	127.5	168.4	-174.5	0	0	0	0	109.5	L129 Q132 I138 I139 L457	L129-V134 HydrophobicContact CB-CB 4.23Å; L129-V134 HydrophobicContact CB-CG2 4.36Å; L129-V134 HydrophobicContact CD2-CG2 4.5Å; L129-V134 VanDerWaalsContact O-CB 3.29Å; L129-V134 WeakPolarHBondContact O-CB 3.44Å; L129-V134 WeakPolarHBondContact O-CG2 3.5Å; L129-V134 PolarHBondContact O-N 2.85Å; Q132-V134 VanDerWaalsContact C-N 3.3Å; Q132-V134 PolarHBondContact O-N 3.45Å; V134-I138 HydrophobicContact CG1-CB 4.2Å; V134-I138 HydrophobicContact CG1-CG2 4.34Å; V134-I139 HydrophobicContact CB-CD1 4.46Å; V134-I139 HydrophobicContact CB-CG1 4.46Å; V134-I139 HydrophobicContact CG1-CD1 4.32Å; V134-I139 HydrophobicContact CG1-CG1 3.81Å; V134-L457 HydrophobicContact CG2-CD1 3.94Å
135	H	91.8	Very high	93.4	Very high	115 Å²	115	47.7 Å²	47.7	53%	0.532	23%	0.233	S	C	.	.			trans	-67.9	134.4	178.9	-168.8	-92.8	0	0	0	110.9	S137 I138	H135-S137 PolarHBondContact CE1-OG 3.31Å; H135-S137 WeakPolarHBondContact ND1-CB 3.14Å; H135-S137 PolarHBondContact ND1-N 3.01Å; H135-S137 PolarHBondContact ND1-OG 3.22Å; H135-S137 VanDerWaalsContact ND1-OG 3.12Å; H135-S137 PolarHBondContact O-N 3.5Å; H135-S137 VanDerWaalsContact O-N 3.09Å; H135-I138 HydrophobicContact CB-CD1 4.3Å; H135-I138 HydrophobicContact CB-CG1 4.46Å; H135-I138 WeakPolarHBondContact O-CB 3.43Å; H135-I138 PolarHBondContact O-N 2.95Å
136	P	92.8	Very high	93.5	Very high	9 Å²	9	46.5 Å²	46.5	6%	0.058	23%	0.228	C	C	.	.	H	α-helix	trans	-52	-37.6	-176.9	-28	31.7	0	0	0	114.7	I130 I138 I139 M140 L546	I130-P136 HydrophobicContact CD1-CG 4.02Å; I130-P136 HydrophobicContact CG1-CG 4.24Å; P136-I138 PolarHBondContact O-N 2.9Å; P136-I139 WeakPolarHBondContact O-CB 3.28Å; P136-I139 PolarHBondContact O-N 3.39Å; P136-I139 VanDerWaalsContact O-N 3.11Å; P136-M140 VanDerWaalsContact O-CG 3.23Å; P136-M140 WeakPolarHBondContact O-CG 3.22Å; P136-M140 PolarHBondContact O-N 3.36Å; P136-L546 HydrophobicContact CB-CD2 4.49Å; P136-L546 HydrophobicContact CB-CG 4.25Å
137	S	92.3	Very high	93.6	Very high	68 Å²	68	47.2 Å²	47.2	48%	0.476	23%	0.233	S	C	.	.	H	α-helix	trans	-58.4	-32.5	178.9	-50.2	0	0	0	0	113.3	H135 S141	H135-S137 PolarHBondContact CE1-OG 3.31Å; H135-S137 WeakPolarHBondContact ND1-CB 3.14Å; H135-S137 PolarHBondContact ND1-N 3.01Å; H135-S137 PolarHBondContact ND1-OG 3.22Å; H135-S137 VanDerWaalsContact ND1-OG 3.12Å; H135-S137 PolarHBondContact O-N 3.5Å; H135-S137 VanDerWaalsContact O-N 3.09Å; S137-S141 PolarHBondContact O-N 3.48Å
138	I	93.1	Very high	93.7	Very high	40 Å²	40	55 Å²	55	21%	0.205	26%	0.261	C	S	.	.	H	α-helix	trans	-70.3	-47.2	177.2	-59.3	174.4	0	0	0	109.3	V134 H135 P136 M140 S141 G142 R454	V134-I138 HydrophobicContact CG1-CB 4.2Å; V134-I138 HydrophobicContact CG1-CG2 4.34Å; H135-I138 HydrophobicContact CB-CD1 4.3Å; H135-I138 HydrophobicContact CB-CG1 4.46Å; H135-I138 WeakPolarHBondContact O-CB 3.43Å; H135-I138 PolarHBondContact O-N 2.95Å; P136-I138 PolarHBondContact O-N 2.9Å; I138-M140 VanDerWaalsContact C-N 3.31Å; I138-M140 PolarHBondContact O-N 2.72Å; I138-S141 PolarHBondContact O-N 2.95Å; I138-S141 VanDerWaalsContact O-N 3.16Å; I138-S141 PolarHBondContact O-OG 3.13Å; I138-G142 PolarHBondContact O-N 3.46Å; I138-R454 HydrophobicContact CD1-CB 4.38Å; I138-R454 HydrophobicContact CG2-CB 3.76Å; I138-R454 WeakPolarHBondContact CG2-O 3.38Å
139	I	94.4	Very high	93.8	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.8	-47.5	176.7	-52.6	172.8	0	0	0	109.8	A126 L129 I130 V134 P136 S141 G142 Y143 L546	A126-I139 HydrophobicContact CB-CG2 4.02Å; L129-I139 HydrophobicContact CB-CD1 3.57Å; L129-I139 HydrophobicContact CB-CG1 4.17Å; L129-I139 HydrophobicContact CD1-CD1 4.12Å; L129-I139 HydrophobicContact CD1-CG1 3.9Å; L129-I139 HydrophobicContact CD1-CG2 4.15Å; I130-I139 HydrophobicContact CD1-CD1 4.41Å; I130-I139 HydrophobicContact CG1-CD1 3.72Å; V134-I139 HydrophobicContact CB-CD1 4.46Å; V134-I139 HydrophobicContact CB-CG1 4.46Å; V134-I139 HydrophobicContact CG1-CD1 4.32Å; V134-I139 HydrophobicContact CG1-CG1 3.81Å; P136-I139 WeakPolarHBondContact O-CB 3.28Å; P136-I139 PolarHBondContact O-N 3.39Å; P136-I139 VanDerWaalsContact O-N 3.11Å; I139-S141 VanDerWaalsContact C-N 3.31Å; I139-S141 PolarHBondContact O-N 3.02Å; I139-G142 PolarHBondContact O-N 3.18Å; I139-G142 VanDerWaalsContact O-N 3.13Å; I139-Y143 HydrophobicContact CG2-CD1 4.11Å; I139-Y143 HydrophobicContact CG2-CD2 4.44Å; I139-Y143 HydrophobicContact CG2-CE1 3.78Å; I139-Y143 HydrophobicContact CG2-CE2 4.14Å; I139-Y143 HydrophobicContact CG2-CG 4.44Å; I139-Y143 PolarHBondContact O-N 3.18Å; I139-L546 HydrophobicContact CB-CD2 4.26Å; I139-L546 HydrophobicContact CG2-CD2 4.13Å
140	M	94.2	Very high	93.9	Very high	14 Å²	14	54 Å²	54	7%	0.069	26%	0.255	C	S	.	.	H	α-helix	trans	-58.3	-41.4	177.7	-69.2	176.1	70.9	0	0	112.8	P136 I138 Y143 R144 L543 L546 R547	P136-M140 VanDerWaalsContact O-CG 3.23Å; P136-M140 WeakPolarHBondContact O-CG 3.22Å; P136-M140 PolarHBondContact O-N 3.36Å; I138-M140 VanDerWaalsContact C-N 3.31Å; I138-M140 PolarHBondContact O-N 2.72Å; M140-Y143 PolarHBondContact O-N 3.28Å; M140-R144 WeakPolarHBondContact O-CG 3.14Å; M140-R144 PolarHBondContact O-N 3.01Å; M140-R144 VanDerWaalsContact O-N 3.07Å; M140-L543 VanDerWaalsContact CA-CD2 3.46Å; M140-L543 HydrophobicContact CB-CD2 3.58Å; M140-L543 HydrophobicContact CE-CB 4.34Å; M140-L543 HydrophobicContact CE-CD2 4.23Å; M140-L543 HydrophobicContact CG-CD2 3.57Å; M140-L546 HydrophobicContact CG-CD2 3.9Å; M140-R547 VanDerWaalsContact CE-CD 3.46Å; M140-R547 HydrophobicContact CE-CG 3.34Å; M140-R547 HydrophobicContact SD-CG 3.57Å; M140-R547 VanDerWaalsContact SD-CG 3.57Å
141	S	93.5	Very high	94.1	Very high	54 Å²	54	53.9 Å²	53.9	38%	0.378	26%	0.255	S	S	.	.	H	α-helix	trans	-65.6	-40.7	176.9	71.5	0	0	0	0	111.9	S137 I138 I139 L145	S137-S141 PolarHBondContact O-N 3.48Å; I138-S141 PolarHBondContact O-N 2.95Å; I138-S141 VanDerWaalsContact O-N 3.16Å; I138-S141 PolarHBondContact O-OG 3.13Å; I139-S141 VanDerWaalsContact C-N 3.31Å; I139-S141 PolarHBondContact O-N 3.02Å; S141-L145 PolarHBondContact O-N 3.12Å; S141-L145 VanDerWaalsContact O-N 3.15Å
142	G	94.3	Very high	94.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.2	-46.9	174.2	0	0	0	0	0	112.1	I138 I139 R144 L145 A146	I138-G142 PolarHBondContact O-N 3.46Å; I139-G142 PolarHBondContact O-N 3.18Å; I139-G142 VanDerWaalsContact O-N 3.13Å; G142-R144 PolarHBondContact O-N 2.93Å; G142-L145 PolarHBondContact O-N 3.34Å; G142-A146 WeakPolarHBondContact O-CB 3.34Å; G142-A146 PolarHBondContact O-N 2.79Å
143	Y	96.8	Very high	94.4	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-64	-39.2	179.9	-77.1	12.5	0	0	0	112.9	L122 A126 I139 M140 A146 C147 G458 Y462	L122-Y143 HydrophobicContact CB-CE2 4.03Å; L122-Y143 HydrophobicContact CD2-CD2 4.37Å; L122-Y143 HydrophobicContact CD2-CE2 4Å; L122-Y143 WeakPolarHBondContact O-CE2 3.4Å; L122-Y143 PolarHBondContact O-OH 3.35Å; A126-Y143 HydrophobicContact CB-CE2 4.18Å; A126-Y143 PolarHBondContact N-OH 3.35Å; I139-Y143 HydrophobicContact CG2-CD1 4.11Å; I139-Y143 HydrophobicContact CG2-CD2 4.44Å; I139-Y143 HydrophobicContact CG2-CE1 3.78Å; I139-Y143 HydrophobicContact CG2-CE2 4.14Å; I139-Y143 HydrophobicContact CG2-CG 4.44Å; I139-Y143 PolarHBondContact O-N 3.18Å; M140-Y143 PolarHBondContact O-N 3.28Å; Y143-A146 PolarHBondContact O-N 3.17Å; Y143-C147 WeakPolarHBondContact O-CB 3.36Å; Y143-C147 PolarHBondContact O-N 2.95Å; Y143-G458 VanDerWaalsContact CD1-O 3.26Å; Y143-G458 WeakPolarHBondContact CD1-O 3.32Å; Y143-G458 WeakPolarHBondContact CE1-O 3.5Å; Y143-Y462 AromaticContact CD1-CD2 3.75Å; Y143-Y462 HydrophobicContact CD1-CD2 3.75Å; Y143-Y462 HydrophobicContact CD1-CG 4.39Å; Y143-Y462 HydrophobicContact CD2-CD2 4.3Å; Y143-Y462 HydrophobicContact CE1-CD2 4.26Å; Y143-Y462 AromaticContact CG-CD2 3.77Å; Y143-Y462 HydrophobicContact CG-CD2 3.77Å; Y143-Y462 HydrophobicContact CG-CE2 4.44Å
144	R	95.5	Very high	94.6	Very high	119 Å²	119	40.9 Å²	40.9	45%	0.449	20%	0.196	S	C	.	.	H	α-helix	trans	-64.2	-41.8	174.7	-75.7	-175.7	-176	135.7	0.5	112.1	M140 G142 R148 L543	M140-R144 WeakPolarHBondContact O-CG 3.14Å; M140-R144 PolarHBondContact O-N 3.01Å; M140-R144 VanDerWaalsContact O-N 3.07Å; G142-R144 PolarHBondContact O-N 2.93Å; R144-R148 PolarHBondContact O-N 3.04Å; R144-R148 VanDerWaalsContact O-N 3.12Å; R144-L543 HydrophobicContact CG-CD1 3.62Å
145	L	94.7	Very high	94.6	Very high	52 Å²	52	44.3 Å²	44.3	27%	0.272	21%	0.211	S	C	.	.	H	α-helix	trans	-65.9	-46.8	177	-177.3	58.2	0	0	0	110.6	S141 G142 C147 R148 E149 F447 L459	S141-L145 PolarHBondContact O-N 3.12Å; S141-L145 VanDerWaalsContact O-N 3.15Å; G142-L145 PolarHBondContact O-N 3.34Å; L145-C147 VanDerWaalsContact C-N 3.35Å; L145-C147 PolarHBondContact O-N 3.26Å; L145-R148 PolarHBondContact O-N 2.95Å; L145-E149 HydrophobicContact CD1-CG 4.1Å; L145-E149 WeakPolarHBondContact O-CG 3.33Å; L145-E149 PolarHBondContact O-N 3.18Å; L145-F447 HydrophobicContact CD2-CE1 4.45Å; L145-F447 HydrophobicContact CG-CE1 4.41Å; L145-L459 HydrophobicContact CD2-CD1 3.94Å; L145-L459 HydrophobicContact CG-CD1 4.41Å
146	A	96	Very high	94.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-56.2	-46.9	176.2	0	0	0	0	0	111.9	G142 Y143 R148 E149 S150 L444 L459 Y462	G142-A146 WeakPolarHBondContact O-CB 3.34Å; G142-A146 PolarHBondContact O-N 2.79Å; Y143-A146 PolarHBondContact O-N 3.17Å; A146-R148 PolarHBondContact O-N 2.96Å; A146-E149 PolarHBondContact O-N 3.13Å; A146-S150 VanDerWaalsContact O-CB 3.22Å; A146-S150 WeakPolarHBondContact O-CB 3.37Å; A146-S150 PolarHBondContact O-N 2.99Å; A146-S150 PolarHBondContact O-OG 3.16Å; A146-L444 HydrophobicContact CB-CD1 4.2Å; A146-L444 HydrophobicContact CB-CD2 4.32Å; A146-L459 HydrophobicContact CB-CD2 3.68Å; A146-L459 HydrophobicContact CB-CG 4.24Å; A146-Y462 HydrophobicContact CB-CD1 3.68Å; A146-Y462 HydrophobicContact CB-CD2 3.95Å; A146-Y462 HydrophobicContact CB-CE1 4.23Å; A146-Y462 HydrophobicContact CB-CE2 4.47Å; A146-Y462 HydrophobicContact CB-CG 3.53Å
147	C	96.6	Very high	94.4	Very high	14 Å²	14	47.4 Å²	47.4	10%	0.095	23%	0.227	C	C	.	.	H	α-helix	trans	-60.9	-43.7	177.5	-177.7	0	0	0	0	112	Y143 L145 S150 V151 T539	Y143-C147 WeakPolarHBondContact O-CB 3.36Å; Y143-C147 PolarHBondContact O-N 2.95Å; L145-C147 VanDerWaalsContact C-N 3.35Å; L145-C147 PolarHBondContact O-N 3.26Å; C147-S150 PolarHBondContact O-N 2.98Å; C147-V151 VanDerWaalsContact O-CG2 3.31Å; C147-V151 WeakPolarHBondContact O-CG2 3.5Å; C147-V151 PolarHBondContact O-N 2.88Å; C147-V151 VanDerWaalsContact O-N 3.08Å; C147-T539 HydrophobicContact CB-CG2 4.07Å
148	R	96.2	Very high	94.2	Very high	181 Å²	181	44.3 Å²	44.3	68%	0.683	21%	0.205	S	C	*	.	H	α-helix	trans	-62.4	-50.6	178.4	-178.8	-178	-69	172.4	-2.8	111.8	R144 L145 A146 S150 V151 K152	R144-R148 PolarHBondContact O-N 3.04Å; R144-R148 VanDerWaalsContact O-N 3.12Å; L145-R148 PolarHBondContact O-N 2.95Å; A146-R148 PolarHBondContact O-N 2.96Å; R148-S150 VanDerWaalsContact C-N 3.32Å; R148-S150 PolarHBondContact O-N 3.4Å; R148-V151 PolarHBondContact O-N 2.8Å; R148-K152 PolarHBondContact O-N 3.06Å; R148-K152 VanDerWaalsContact O-N 3.13Å
149	E	95.6	Very high	94	Very high	38 Å²	38	44 Å²	44	18%	0.178	21%	0.205	C	C	.	.	H	α-helix	trans	-68.7	-33.5	-178.5	-63.3	-54.2	132.9	0	0	111.7	L145 A146 K152 Y153 F443 L444 F447	L145-E149 HydrophobicContact CD1-CG 4.1Å; L145-E149 WeakPolarHBondContact O-CG 3.33Å; L145-E149 PolarHBondContact O-N 3.18Å; A146-E149 PolarHBondContact O-N 3.13Å; E149-K152 PolarHBondContact O-N 2.84Å; E149-Y153 WeakPolarHBondContact O-CB 3.33Å; E149-Y153 PolarHBondContact O-N 2.8Å; E149-F443 HydrophobicContact CB-CE1 4.18Å; E149-L444 HydrophobicContact CB-CD2 4.42Å; E149-F447 HydrophobicContact CB-CE1 4.43Å; E149-F447 HydrophobicContact CG-CD1 4.36Å; E149-F447 HydrophobicContact CG-CE1 3.73Å; E149-F447 HydrophobicContact CG-CZ 3.86Å
150	S	96.2	Very high	93.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.1	-50.6	173.2	-62.4	0	0	0	0	111.9	A146 C147 R148 K152 Y153 M154 T440 L444	A146-S150 VanDerWaalsContact O-CB 3.22Å; A146-S150 WeakPolarHBondContact O-CB 3.37Å; A146-S150 PolarHBondContact O-N 2.99Å; A146-S150 PolarHBondContact O-OG 3.16Å; C147-S150 PolarHBondContact O-N 2.98Å; R148-S150 VanDerWaalsContact C-N 3.32Å; R148-S150 PolarHBondContact O-N 3.4Å; S150-K152 VanDerWaalsContact C-N 3.3Å; S150-K152 PolarHBondContact O-N 3.25Å; S150-Y153 PolarHBondContact O-N 2.94Å; S150-M154 VanDerWaalsContact O-CG 3.26Å; S150-M154 WeakPolarHBondContact O-CG 3.38Å; S150-M154 PolarHBondContact O-N 3Å; S150-T440 WeakPolarHBondContact OG-CG2 3.49Å; S150-L444 WeakPolarHBondContact OG-CD1 3.44Å
151	V	96.1	Very high	93.7	Very high	13 Å²	13	46.9 Å²	46.9	8%	0.079	22%	0.22	C	C	.	.	H	α-helix	trans	-61.5	-43	-179.6	170.9	0	0	0	0	110.5	C147 R148 M154 E155 V532 L535	C147-V151 VanDerWaalsContact O-CG2 3.31Å; C147-V151 WeakPolarHBondContact O-CG2 3.5Å; C147-V151 PolarHBondContact O-N 2.88Å; C147-V151 VanDerWaalsContact O-N 3.08Å; R148-V151 PolarHBondContact O-N 2.8Å; V151-M154 PolarHBondContact O-N 2.96Å; V151-E155 WeakPolarHBondContact O-CG 3.38Å; V151-E155 PolarHBondContact O-N 2.72Å; V151-V532 HydrophobicContact CG1-CG1 3.87Å; V151-V532 HydrophobicContact CG1-CG2 4.23Å; V151-V532 HydrophobicContact CG2-CG1 4.09Å; V151-L535 HydrophobicContact CG2-CD1 4.49Å
152	K	96	Very high	93.2	Very high	102 Å²	102	44.9 Å²	44.9	44%	0.443	21%	0.206	S	C	.	.	H	α-helix	trans	-61	-47.9	176.3	-173.6	-178.2	174.2	-170	0	111.6	R148 E149 S150 M154 E155 E156	R148-K152 PolarHBondContact O-N 3.06Å; R148-K152 VanDerWaalsContact O-N 3.13Å; E149-K152 PolarHBondContact O-N 2.84Å; S150-K152 VanDerWaalsContact C-N 3.3Å; S150-K152 PolarHBondContact O-N 3.25Å; K152-M154 VanDerWaalsContact C-N 3.31Å; K152-M154 PolarHBondContact O-N 2.74Å; K152-E155 PolarHBondContact O-N 3.07Å; K152-E156 WeakPolarHBondContact CE-OE1 3.46Å; K152-E156 HydrophobicContact CG-CG 4.46Å; K152-E156 WeakPolarHBondContact CG-OE1 3.4Å; K152-E156 WeakPolarHBondContact O-CB 3.49Å; K152-E156 WeakPolarHBondContact O-CG 3.47Å; K152-E156 PolarHBondContact O-N 3.48Å
153	Y	94.1	Very high	92.7	Very high	16 Å²	16	49.3 Å²	49.3	6%	0.063	23%	0.23	C	C	.	.	H	α-helix	trans	-58.5	-42.8	178	177.9	-106.6	0	0	0	112.2	E149 S150 E156 N157 L158 A439 F443	E149-Y153 WeakPolarHBondContact O-CB 3.33Å; E149-Y153 PolarHBondContact O-N 2.8Å; S150-Y153 PolarHBondContact O-N 2.94Å; Y153-E156 PolarHBondContact O-N 2.69Å; Y153-N157 HydrophobicContact CD2-CB 4.15Å; Y153-N157 WeakPolarHBondContact CD2-ND2 3.34Å; Y153-N157 HydrophobicContact CE2-CB 3.81Å; Y153-N157 WeakPolarHBondContact CE2-ND2 3.33Å; Y153-N157 WeakPolarHBondContact O-CB 3.31Å; Y153-N157 PolarHBondContact O-N 3.05Å; Y153-N157 PolarHBondContact O-ND2 2.71Å; Y153-L158 HydrophobicContact CD1-CD1 4.04Å; Y153-L158 HydrophobicContact CD1-CG 4.37Å; Y153-L158 HydrophobicContact CE1-CD1 3.76Å; Y153-L158 HydrophobicContact CE1-CD2 4.24Å; Y153-L158 HydrophobicContact CE1-CG 3.95Å; Y153-A439 HydrophobicContact CE1-CB 4.34Å; Y153-F443 HydrophobicContact CD1-CB 4.08Å; Y153-F443 HydrophobicContact CD1-CD1 4.12Å; Y153-F443 HydrophobicContact CD1-CG 4.08Å; Y153-F443 HydrophobicContact CD2-CB 4.21Å; Y153-F443 HydrophobicContact CD2-CD1 4.03Å; Y153-F443 AromaticContact CD2-CD2 3.59Å; Y153-F443 HydrophobicContact CD2-CD2 3.59Å; Y153-F443 HydrophobicContact CD2-CE1 4.33Å; Y153-F443 AromaticContact CD2-CE2 3.91Å; Y153-F443 HydrophobicContact CD2-CE2 3.91Å; Y153-F443 AromaticContact CD2-CG 3.65Å; Y153-F443 HydrophobicContact CD2-CG 3.65Å; Y153-F443 HydrophobicContact CD2-CZ 4.27Å; Y153-F443 HydrophobicContact CE1-CB 3.92Å; Y153-F443 HydrophobicContact CE1-CG 4.33Å; Y153-F443 HydrophobicContact CE2-CB 4.1Å; Y153-F443 AromaticContact CE2-CD2 3.84Å; Y153-F443 HydrophobicContact CE2-CD2 3.84Å; Y153-F443 AromaticContact CE2-CG 3.97Å; Y153-F443 HydrophobicContact CE2-CG 3.97Å; Y153-F443 HydrophobicContact CG-CB 4.22Å; Y153-F443 AromaticContact CG-CD1 3.7Å; Y153-F443 HydrophobicContact CG-CD1 3.7Å; Y153-F443 HydrophobicContact CG-CD2 4.13Å; Y153-F443 HydrophobicContact CG-CE1 4.08Å; Y153-F443 HydrophobicContact CG-CE2 4.47Å; Y153-F443 AromaticContact CG-CG 3.73Å; Y153-F443 HydrophobicContact CG-CG 3.73Å; Y153-F443 HydrophobicContact CG-CZ 4.45Å
154	M	93.6	Very high	92	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-63.4	-46.1	178	-70.5	176.2	65.3	0	0	112.7	S150 V151 K152 E156 L158 T159 V436 L528 K531 V532 L535	S150-M154 VanDerWaalsContact O-CG 3.26Å; S150-M154 WeakPolarHBondContact O-CG 3.38Å; S150-M154 PolarHBondContact O-N 3Å; V151-M154 PolarHBondContact O-N 2.96Å; K152-M154 VanDerWaalsContact C-N 3.31Å; K152-M154 PolarHBondContact O-N 2.74Å; M154-E156 VanDerWaalsContact C-N 3.33Å; M154-E156 PolarHBondContact O-N 2.76Å; M154-L158 HydrophobicContact CG-CD1 4.13Å; M154-L158 PolarHBondContact O-N 3.5Å; M154-L158 VanDerWaalsContact O-N 3.12Å; M154-T159 PolarHBondContact O-N 3.02Å; M154-T159 PolarHBondContact O-OG1 3.37Å; M154-V436 HydrophobicContact CE-CG1 3.46Å; M154-V436 VanDerWaalsContact CE-CG1 3.46Å; M154-V436 HydrophobicContact CG-CG1 4.22Å; M154-V436 HydrophobicContact SD-CG1 4.01Å; M154-L528 HydrophobicContact CB-CD1 4.19Å; M154-L528 HydrophobicContact CE-CD1 3.99Å; M154-K531 HydrophobicContact CE-CB 3.33Å; M154-K531 HydrophobicContact CE-CG 4.14Å; M154-V532 HydrophobicContact CE-CG2 4.43Å; M154-L535 HydrophobicContact SD-CD1 3.55Å; M154-L535 VanDerWaalsContact SD-CD1 3.55Å
155	E	92.8	Very high	91.2	Very high	94 Å²	94	51.5 Å²	51.5	44%	0.439	25%	0.25	S	S	.	.	H	α-helix	trans	-65.1	-35.8	-180	-74.7	177.2	-179.4	0	0	112.4	V151 K152 T159 L528	V151-E155 WeakPolarHBondContact O-CG 3.38Å; V151-E155 PolarHBondContact O-N 2.72Å; K152-E155 PolarHBondContact O-N 3.07Å; E155-T159 PolarHBondContact O-OG1 3.04Å; E155-L528 HydrophobicContact CG-CD2 4.18Å
156	E	90.9	Very high	90.8	Very high	126 Å²	126	50.8 Å²	50.8	59%	0.589	26%	0.255	S	S	*	.	H	α-helix	trans	-85.8	-38.3	-177.3	-69.2	175.4	177.8	0	0	113.1	K152 Y153 M154	K152-E156 WeakPolarHBondContact CE-OE1 3.46Å; K152-E156 HydrophobicContact CG-CG 4.46Å; K152-E156 WeakPolarHBondContact CG-OE1 3.4Å; K152-E156 WeakPolarHBondContact O-CB 3.49Å; K152-E156 WeakPolarHBondContact O-CG 3.47Å; K152-E156 PolarHBondContact O-N 3.48Å; Y153-E156 PolarHBondContact O-N 2.69Å; M154-E156 VanDerWaalsContact C-N 3.33Å; M154-E156 PolarHBondContact O-N 2.76Å
157	N	88.8	Confident	90.4	Very high	63 Å²	63	55.4 Å²	55.4	34%	0.337	27%	0.272	S	S	.	.	H	α-helix	trans	-116	-27.9	-166.3	-61.4	-69.2	0	0	0	114.9	Y153 K505	Y153-N157 HydrophobicContact CD2-CB 4.15Å; Y153-N157 WeakPolarHBondContact CD2-ND2 3.34Å; Y153-N157 HydrophobicContact CE2-CB 3.81Å; Y153-N157 WeakPolarHBondContact CE2-ND2 3.33Å; Y153-N157 WeakPolarHBondContact O-CB 3.31Å; Y153-N157 PolarHBondContact O-N 3.05Å; Y153-N157 PolarHBondContact O-ND2 2.71Å; N157-K505 WeakPolarHBondContact O-CE 3.39Å; N157-K505 PolarHBondContact O-NZ 3.06Å
158	L	88.1	Confident	90	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.01	30%	0.298	C	S	.	.	S	Bend	trans	-107.9	5.7	-170.1	-58.7	-179.6	0	0	0	114	Y153 M154 V430 V436 A439 W506	Y153-L158 HydrophobicContact CD1-CD1 4.04Å; Y153-L158 HydrophobicContact CD1-CG 4.37Å; Y153-L158 HydrophobicContact CE1-CD1 3.76Å; Y153-L158 HydrophobicContact CE1-CD2 4.24Å; Y153-L158 HydrophobicContact CE1-CG 3.95Å; M154-L158 HydrophobicContact CG-CD1 4.13Å; M154-L158 PolarHBondContact O-N 3.5Å; M154-L158 VanDerWaalsContact O-N 3.12Å; L158-V430 WeakPolarHBondContact O-CG1 3.35Å; L158-V436 HydrophobicContact CD1-CB 4.5Å; L158-V436 HydrophobicContact CD1-CG1 4.21Å; L158-V436 HydrophobicContact CD1-CG2 4.39Å; L158-A439 HydrophobicContact CD1-CB 3.92Å; L158-A439 HydrophobicContact CD2-CB 3.99Å; L158-W506 HydrophobicContact CD2-CZ3 4.45Å; L158-W506 WeakPolarHBondContact O-CZ3 3.4Å
159	T	90.7	Very high	89.6	Confident	34 Å²	34	52.8 Å²	52.8	21%	0.209	27%	0.268	C	S	.	.			trans	-91.9	139.3	-176.3	-59.8	0	0	0	0	111.9	M154 E155 K428 L528	M154-T159 PolarHBondContact O-N 3.02Å; M154-T159 PolarHBondContact O-OG1 3.37Å; E155-T159 PolarHBondContact O-OG1 3.04Å; T159-K428 HydrophobicContact CG2-CB 3.64Å; T159-K428 HydrophobicContact CG2-CD 3.78Å; T159-K428 HydrophobicContact CG2-CG 3.55Å; T159-L528 HydrophobicContact CG2-CD2 4.32Å
160	I	90.8	Very high	89.5	Confident	11 Å²	11	51.7 Å²	51.7	6%	0.056	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.7	169.6	-56	167.4	0	0	0	107.7	L165 V429 V431 W506 K520 F525	I160-L165 HydrophobicContact CG2-CD1 3.91Å; I160-L165 HydrophobicContact CG2-CD2 4.22Å; I160-L165 HydrophobicContact CG2-CG 4.01Å; I160-V429 HydrophobicContact CB-CG2 4.05Å; I160-V429 PolarHBondContact N-O 3.4Å; I160-V429 PolarHBondContact O-N 3.16Å; I160-V431 HydrophobicContact CD1-CG2 3.85Å; I160-W506 HydrophobicContact CD1-CD2 4.48Å; I160-W506 HydrophobicContact CD1-CE3 4.46Å; I160-W506 HydrophobicContact CD1-CH2 4.17Å; I160-W506 HydrophobicContact CD1-CZ2 4.22Å; I160-W506 HydrophobicContact CD1-CZ3 4.3Å; I160-W506 HydrophobicContact CG1-CH2 3.85Å; I160-W506 HydrophobicContact CG1-CZ2 4.05Å; I160-W506 HydrophobicContact CG1-CZ3 4.35Å; I160-K520 HydrophobicContact CD1-CD 3.79Å; I160-K520 HydrophobicContact CD1-CG 3.99Å; I160-F525 HydrophobicContact CD1-CE1 4Å
161	N	90	Very high	89.3	Confident	63 Å²	63	53.2 Å²	53.2	34%	0.337	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	134.3	176.7	-166.4	-9	0	0	0	109.8	D163 D164 R427	N161-D163 PolarHBondContact O-N 3.19Å; N161-D163 PolarHBondContact OD1-N 3.48Å; N161-D164 WeakPolarHBondContact O-CB 3.21Å; N161-D164 PolarHBondContact O-N 2.7Å; N161-R427 PolarHBondContact OD1-O 3.32Å
162	V	83.6	Confident	89.2	Confident	12 Å²	12	52.7 Å²	52.7	7%	0.073	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-63.7	-32.8	-179.6	177	0	0	0	0	111.3	D164 L165 G166 L170 V423 R427 V429	V162-D164 PolarHBondContact O-N 3.03Å; V162-L165 PolarHBondContact O-N 2.99Å; V162-G166 PolarHBondContact O-N 3.34Å; V162-G166 VanDerWaalsContact O-N 3.16Å; V162-L170 HydrophobicContact CG1-CD2 3.85Å; V162-L170 HydrophobicContact CG1-CG 4.38Å; V162-V423 HydrophobicContact CB-CG1 4.44Å; V162-V423 HydrophobicContact CG1-CG1 4.2Å; V162-V423 HydrophobicContact CG2-CG1 3.35Å; V162-R427 VanDerWaalsContact CG2-C 3.43Å; V162-R427 WeakPolarHBondContact CG2-O 3.47Å; V162-R427 PolarHBondContact N-O 2.98Å; V162-V429 HydrophobicContact CG2-CG1 3.79Å
163	D	83.4	Confident	89.1	Confident	94 Å²	94	48 Å²	48	50%	0.503	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-60	-27.6	179	-65.3	-30.8	0	0	0	111.7	N161 R427	N161-D163 PolarHBondContact O-N 3.19Å; N161-D163 PolarHBondContact OD1-N 3.48Å; D163-R427 IonicContact OD1-NH1 2.95Å; D163-R427 PolarHBondContact OD1-NH1 3.11Å; D163-R427 IonicContact OD2-CZ 2.59Å; D163-R427 IonicContact OD2-NH1 3.95Å; D163-R427 PolarHBondContact OD2-NH1 2.96Å
164	D	81.9	Confident	89	Confident	128 Å²	128	47.2 Å²	47.2	68%	0.684	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-79.2	-20.9	178.1	-57.5	-28.6	0	0	0	113.1	N161 V162	N161-D164 WeakPolarHBondContact O-CB 3.21Å; N161-D164 PolarHBondContact O-N 2.7Å; V162-D164 PolarHBondContact O-N 3.03Å
165	L	79.8	Confident	89	Confident	38 Å²	38	50.2 Å²	50.2	20%	0.199	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-18.8	-176.3	-61.5	170.3	0	0	0	112.9	I160 V162 G169 V429 F525	I160-L165 HydrophobicContact CG2-CD1 3.91Å; I160-L165 HydrophobicContact CG2-CD2 4.22Å; I160-L165 HydrophobicContact CG2-CG 4.01Å; V162-L165 PolarHBondContact O-N 2.99Å; L165-G169 PolarHBondContact O-N 3.07Å; L165-V429 HydrophobicContact CD1-CG2 3.61Å; L165-F525 HydrophobicContact CD1-CD1 4.46Å; L165-F525 HydrophobicContact CD1-CD2 4.3Å; L165-F525 HydrophobicContact CD1-CE1 4.12Å; L165-F525 HydrophobicContact CD1-CE2 3.93Å; L165-F525 HydrophobicContact CD1-CZ 3.84Å; L165-F525 HydrophobicContact CD2-CE2 4.24Å; L165-F525 HydrophobicContact CD2-CZ 3.84Å
166	G	85.3	Confident	89	Confident	36 Å²	36	46.8 Å²	46.8	37%	0.371	24%	0.243	S	C	.	.	H	α-helix	trans	59.6	-152.4	-176.9	0	0	0	0	0	113.5	V162 E168 G169	V162-G166 PolarHBondContact O-N 3.34Å; V162-G166 VanDerWaalsContact O-N 3.16Å; G166-E168 VanDerWaalsContact C-N 3.29Å; G166-E168 PolarHBondContact O-N 3.48Å; G166-G169 PolarHBondContact O-N 3.41Å
167	R	88.6	Confident	89	Confident	97 Å²	97	41.1 Å²	41.1	37%	0.366	22%	0.218	S	C	.	.	H	α-helix	trans	-66.6	-30.3	-177.6	-172.8	171.8	174.7	116.9	-5.8	112.7	G169 L170 I171 D196 E199	R167-G169 VanDerWaalsContact C-N 3.34Å; R167-G169 PolarHBondContact O-N 2.86Å; R167-L170 WeakPolarHBondContact O-CB 3.33Å; R167-L170 PolarHBondContact O-N 2.95Å; R167-I171 HydrophobicContact CG-CD1 4.31Å; R167-I171 WeakPolarHBondContact O-CG1 3.48Å; R167-I171 PolarHBondContact O-N 3.29Å; R167-D196 IonicContact CZ-OD1 3.81Å; R167-D196 IonicContact NH1-OD1 2.66Å; R167-D196 PolarHBondContact NH1-OD1 3.09Å; R167-D196 IonicContact NH2-OD1 3.42Å; R167-D196 PolarHBondContact NH2-OD1 3.35Å; R167-D196 IonicContact NH2-OD2 3.43Å; R167-E199 IonicContact NH1-OE1 3.68Å; R167-E199 IonicContact NH1-OE2 3.89Å
168	E	88.2	Confident	89.1	Confident	136 Å²	136	38.1 Å²	38.1	64%	0.636	20%	0.202	S	C	*	.	H	α-helix	trans	-64.8	-38.9	178.7	-164.2	176.6	-174	0	0	111.7	G166 L170 I171 G172	G166-E168 VanDerWaalsContact C-N 3.29Å; G166-E168 PolarHBondContact O-N 3.48Å; E168-L170 VanDerWaalsContact C-N 3.33Å; E168-L170 PolarHBondContact O-N 3.15Å; E168-I171 WeakPolarHBondContact O-CB 3.48Å; E168-I171 PolarHBondContact O-N 3.38Å; E168-G172 PolarHBondContact O-N 3.29Å
169	G	88.3	Confident	89	Confident	5 Å²	5	39.8 Å²	39.8	5%	0.052	21%	0.214	C	C	.	.	H	α-helix	trans	-59.7	-41.2	171.8	0	0	0	0	0	113.2	L165 G166 R167 G172 V173	L165-G169 PolarHBondContact O-N 3.07Å; G166-G169 PolarHBondContact O-N 3.41Å; R167-G169 VanDerWaalsContact C-N 3.34Å; R167-G169 PolarHBondContact O-N 2.86Å; G169-G172 PolarHBondContact O-N 3.46Å; G169-V173 WeakPolarHBondContact O-CG2 3.41Å; G169-V173 PolarHBondContact O-N 3.33Å
170	L	92.2	Very high	88.7	Confident	14 Å²	14	39.3 Å²	39.3	7%	0.073	21%	0.212	C	C	.	.	H	α-helix	trans	-64.8	-42	175.7	-63.7	176.1	0	0	0	111.4	V162 R167 E168 G172 V173 A174 I195 L420 V423 L424	V162-L170 HydrophobicContact CG1-CD2 3.85Å; V162-L170 HydrophobicContact CG1-CG 4.38Å; R167-L170 WeakPolarHBondContact O-CB 3.33Å; R167-L170 PolarHBondContact O-N 2.95Å; E168-L170 VanDerWaalsContact C-N 3.33Å; E168-L170 PolarHBondContact O-N 3.15Å; L170-G172 VanDerWaalsContact C-N 3.28Å; L170-G172 PolarHBondContact O-N 3.12Å; L170-V173 PolarHBondContact O-N 3.19Å; L170-A174 PolarHBondContact O-N 2.95Å; L170-I195 HydrophobicContact CB-CD1 3.81Å; L170-I195 HydrophobicContact CB-CG1 4.33Å; L170-L420 HydrophobicContact CB-CD2 4.18Å; L170-L420 HydrophobicContact CD2-CD2 4.22Å; L170-L420 WeakPolarHBondContact O-CD2 3.33Å; L170-V423 HydrophobicContact CD2-CG1 3.87Å; L170-L424 HydrophobicContact CD1-CD2 3.99Å; L170-L424 HydrophobicContact CD2-CD2 3.84Å; L170-L424 HydrophobicContact CD2-CG 4.34Å
171	I	93.2	Very high	88.3	Confident	32 Å²	32	39.3 Å²	39.3	16%	0.164	21%	0.212	C	C	.	.	H	α-helix	trans	-59.5	-43.4	174.2	-68.3	168.7	0	0	0	109.9	R167 E168 V173 A174 K175 A191 I195	R167-I171 HydrophobicContact CG-CD1 4.31Å; R167-I171 WeakPolarHBondContact O-CG1 3.48Å; R167-I171 PolarHBondContact O-N 3.29Å; E168-I171 WeakPolarHBondContact O-CB 3.48Å; E168-I171 PolarHBondContact O-N 3.38Å; I171-V173 PolarHBondContact O-N 3.35Å; I171-A174 PolarHBondContact O-N 2.81Å; I171-K175 HydrophobicContact CG2-CD 3.99Å; I171-K175 VanDerWaalsContact CG2-CE 3.43Å; I171-K175 HydrophobicContact CG2-CG 4.2Å; I171-K175 WeakPolarHBondContact O-CB 3.47Å; I171-K175 VanDerWaalsContact O-CG 3.32Å; I171-K175 WeakPolarHBondContact O-CG 3.24Å; I171-K175 PolarHBondContact O-N 2.87Å; I171-A191 HydrophobicContact CG2-CB 4.11Å; I171-I195 HydrophobicContact CB-CD1 4.32Å; I171-I195 HydrophobicContact CG1-CD1 3.54Å
172	G	92.8	Very high	87.8	Confident	3 Å²	3	39.7 Å²	39.7	3%	0.031	21%	0.213	C	C	.	.	H	α-helix	trans	-58.1	-45.3	175.9	0	0	0	0	0	113.5	E168 G169 L170 K175 T176 C523	E168-G172 PolarHBondContact O-N 3.29Å; G169-G172 PolarHBondContact O-N 3.46Å; L170-G172 VanDerWaalsContact C-N 3.28Å; L170-G172 PolarHBondContact O-N 3.12Å; G172-K175 PolarHBondContact O-N 3.45Å; G172-T176 WeakPolarHBondContact O-CB 3.33Å; G172-T176 PolarHBondContact O-N 3.47Å; G172-T176 PolarHBondContact O-OG1 2.82Å; G172-C523 CarbonylContact C-O 3.48Å; G172-C523 WeakPolarHBondContact CA-O 3.27Å
173	V	93.5	Very high	87.8	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.012	21%	0.211	C	C	.	.	H	α-helix	trans	-60.7	-47	175	173.2	0	0	0	0	111.1	G169 L170 I171 T176 S177 L420 V423 V429 F525	G169-V173 WeakPolarHBondContact O-CG2 3.41Å; G169-V173 PolarHBondContact O-N 3.33Å; L170-V173 PolarHBondContact O-N 3.19Å; I171-V173 PolarHBondContact O-N 3.35Å; V173-T176 PolarHBondContact O-N 3.33Å; V173-S177 PolarHBondContact O-N 2.94Å; V173-S177 VanDerWaalsContact O-N 3.08Å; V173-L420 HydrophobicContact CB-CD2 4.14Å; V173-L420 HydrophobicContact CG1-CD2 4.08Å; V173-L420 HydrophobicContact CG1-CG 4.49Å; V173-V423 HydrophobicContact CG1-CG2 3.8Å; V173-V423 HydrophobicContact CG2-CG1 4.41Å; V173-V423 HydrophobicContact CG2-CG2 4.06Å; V173-V429 HydrophobicContact CG2-CG1 3.9Å; V173-F525 HydrophobicContact CG2-CB 3.58Å
174	A	93.3	Very high	87.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.8	-50.7	179.9	0	0	0	0	0	110.9	L170 I171 T176 S177 M178 A191 L420	L170-A174 PolarHBondContact O-N 2.95Å; I171-A174 PolarHBondContact O-N 2.81Å; A174-T176 VanDerWaalsContact C-N 3.31Å; A174-T176 PolarHBondContact O-N 2.94Å; A174-S177 PolarHBondContact O-N 2.83Å; A174-S177 PolarHBondContact O-OG 3.07Å; A174-M178 HydrophobicContact CB-CE 4.18Å; A174-M178 VanDerWaalsContact O-CG 3.28Å; A174-M178 WeakPolarHBondContact O-CG 3.24Å; A174-M178 PolarHBondContact O-N 3.32Å; A174-A191 HydrophobicContact CB-CB 3.68Å; A174-L420 HydrophobicContact CB-CD1 3.9Å; A174-L420 HydrophobicContact CB-CD2 4.34Å; A174-L420 HydrophobicContact CB-CG 4.29Å
175	K	93.4	Very high	88	Confident	65 Å²	65	38.5 Å²	38.5	28%	0.283	21%	0.209	S	C	.	.	H	α-helix	trans	-57.7	-43.3	177.4	-71.9	-176.4	-178.3	-163.4	0	112	I171 G172 S177 M178 S179 A187 D188 A191	I171-K175 HydrophobicContact CG2-CD 3.99Å; I171-K175 VanDerWaalsContact CG2-CE 3.43Å; I171-K175 HydrophobicContact CG2-CG 4.2Å; I171-K175 WeakPolarHBondContact O-CB 3.47Å; I171-K175 VanDerWaalsContact O-CG 3.32Å; I171-K175 WeakPolarHBondContact O-CG 3.24Å; I171-K175 PolarHBondContact O-N 2.87Å; G172-K175 PolarHBondContact O-N 3.45Å; K175-S177 PolarHBondContact O-N 2.68Å; K175-M178 PolarHBondContact O-N 3.19Å; K175-M178 VanDerWaalsContact O-N 3.13Å; K175-S179 PolarHBondContact O-N 3.13Å; K175-A187 HydrophobicContact CG-CB 4.14Å; K175-D188 WeakPolarHBondContact CE-OD1 3.46Å; K175-D188 IonicContact NZ-OD1 3.57Å; K175-D188 PolarHBondContact NZ-OD1 3.46Å; K175-D188 IonicContact NZ-OD2 2.68Å; K175-D188 PolarHBondContact NZ-OD2 3.4Å; K175-A191 HydrophobicContact CG-CB 4.08Å
176	T	93	Very high	88.5	Confident	21 Å²	21	39.2 Å²	39.2	13%	0.129	21%	0.211	C	C	.	.	H	α-helix	trans	-61.7	-42.9	179.5	-56.1	0	0	0	0	111.4	G172 V173 A174 M178 S179 I524 F525 E526	G172-T176 WeakPolarHBondContact O-CB 3.33Å; G172-T176 PolarHBondContact O-N 3.47Å; G172-T176 PolarHBondContact O-OG1 2.82Å; V173-T176 PolarHBondContact O-N 3.33Å; A174-T176 VanDerWaalsContact C-N 3.31Å; A174-T176 PolarHBondContact O-N 2.94Å; T176-M178 PolarHBondContact O-N 3.35Å; T176-S179 PolarHBondContact O-N 2.9Å; T176-S179 PolarHBondContact O-OG 2.85Å; T176-I524 HydrophobicContact CG2-CG2 3.95Å; T176-F525 WeakPolarHBondContact CB-O 3.39Å; T176-F525 PolarHBondContact OG1-N 3.21Å; T176-F525 PolarHBondContact OG1-O 2.72Å; T176-E526 HydrophobicContact CG2-CG 4.02Å
177	S	90.8	Very high	88.7	Confident	8 Å²	8	37.9 Å²	37.9	6%	0.056	20%	0.197	C	C	.	.	H	α-helix	trans	-68.7	-19.4	177.4	69.5	0	0	0	0	114.5	V173 A174 K175 K181 A416	V173-S177 PolarHBondContact O-N 2.94Å; V173-S177 VanDerWaalsContact O-N 3.08Å; A174-S177 PolarHBondContact O-N 2.83Å; A174-S177 PolarHBondContact O-OG 3.07Å; K175-S177 PolarHBondContact O-N 2.68Å; S177-K181 WeakPolarHBondContact O-CE 3.07Å; S177-K181 PolarHBondContact O-NZ 3.11Å; S177-A416 VanDerWaalsContact OG-CA 3.28Å; S177-A416 WeakPolarHBondContact OG-CA 3.35Å; S177-A416 VanDerWaalsContact OG-CB 3.31Å; S177-A416 WeakPolarHBondContact OG-CB 3.39Å
178	M	90	Very high	88.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-97.6	-12.4	-179.9	-64.3	-179.8	-158.8	0	0	112.8	A174 K175 T176 S180 K181 I183 F190 V194 A416	A174-M178 HydrophobicContact CB-CE 4.18Å; A174-M178 VanDerWaalsContact O-CG 3.28Å; A174-M178 WeakPolarHBondContact O-CG 3.24Å; A174-M178 PolarHBondContact O-N 3.32Å; K175-M178 PolarHBondContact O-N 3.19Å; K175-M178 VanDerWaalsContact O-N 3.13Å; T176-M178 PolarHBondContact O-N 3.35Å; M178-S180 VanDerWaalsContact C-N 3.28Å; M178-S180 PolarHBondContact O-N 2.67Å; M178-K181 PolarHBondContact O-N 3.42Å; M178-K181 VanDerWaalsContact O-N 3.11Å; M178-I183 HydrophobicContact CB-CD1 4.15Å; M178-I183 HydrophobicContact CB-CG1 4.1Å; M178-I183 HydrophobicContact CG-CD1 3.69Å; M178-I183 HydrophobicContact CG-CG1 4.21Å; M178-I183 HydrophobicContact SD-CD1 3.65Å; M178-I183 HydrophobicContact SD-CG1 4.37Å; M178-F190 HydrophobicContact CE-CB 4.05Å; M178-F190 HydrophobicContact SD-CB 3.69Å; M178-V194 HydrophobicContact CE-CB 4.34Å; M178-V194 HydrophobicContact CE-CG2 3.93Å; M178-A416 HydrophobicContact CE-CB 3.35Å; M178-A416 HydrophobicContact CG-CB 4.05Å
179	S	87.1	Confident	89.1	Confident	37 Å²	37	35 Å²	35	26%	0.259	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-28.8	-166.5	71	0	0	0	0	113.5	P40 K175 T176 K181	P40-S179 VanDerWaalsContact CA-O 3.29Å; P40-S179 WeakPolarHBondContact CA-O 3.39Å; K175-S179 PolarHBondContact O-N 3.13Å; T176-S179 PolarHBondContact O-N 2.9Å; T176-S179 PolarHBondContact O-OG 2.85Å; S179-K181 VanDerWaalsContact C-N 3.31Å
180	S	83.9	Confident	89.4	Confident	24 Å²	24	34.7 Å²	34.7	17%	0.168	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	10.3	178.4	70.1	0	0	0	0	114.4	G39 N78 M178	G39-S180 WeakPolarHBondContact O-CB 3.38Å; N78-S180 PolarHBondContact ND2-O 3.36Å; N78-S180 PolarHBondContact OD1-O 2.88Å; N78-S180 PolarHBondContact OD1-OG 3.22Å; M178-S180 VanDerWaalsContact C-N 3.28Å; M178-S180 PolarHBondContact O-N 2.67Å
181	K	82.9	Confident	89.5	Confident	11 Å²	11	34 Å²	34	5%	0.048	18%	0.183	C	C	.	.	S	Bend	trans	-126	166.8	-168.2	-55.4	179	-171.2	151.3	0	111.4	N78 S177 M178 S179 I183 S184 S412 D415	N78-K181 HydrophobicContact CB-CG 4.45Å; S177-K181 WeakPolarHBondContact O-CE 3.07Å; S177-K181 PolarHBondContact O-NZ 3.11Å; M178-K181 PolarHBondContact O-N 3.42Å; M178-K181 VanDerWaalsContact O-N 3.11Å; S179-K181 VanDerWaalsContact C-N 3.31Å; K181-I183 HydrophobicContact CB-CG1 4.47Å; K181-I183 PolarHBondContact O-N 2.87Å; K181-I183 VanDerWaalsContact O-N 3.1Å; K181-S184 VanDerWaalsContact O-CB 3.23Å; K181-S184 WeakPolarHBondContact O-CB 3.15Å; K181-S184 PolarHBondContact O-N 3.39Å; K181-S184 PolarHBondContact O-OG 2.86Å; K181-S412 WeakPolarHBondContact CB-OG 3.29Å; K181-S412 VanDerWaalsContact CD-OG 3.24Å; K181-S412 WeakPolarHBondContact CD-OG 3.19Å; K181-D415 WeakPolarHBondContact CE-OD2 3.36Å; K181-D415 IonicContact NZ-OD2 2.95Å; K181-D415 PolarHBondContact NZ-OD2 2.91Å
182	L	79.6	Confident	89.6	Confident	71 Å²	71	35.4 Å²	35.4	37%	0.372	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-55.8	-29.3	-178.8	-71.7	173.2	0	0	0	113.8	S184 E408	L182-S184 PolarHBondContact O-N 2.76Å; L182-E408 HydrophobicContact CD1-CB 3.92Å; L182-E408 HydrophobicContact CD1-CG 3.74Å; L182-E408 HydrophobicContact CG-CG 4.22Å
183	I	83.5	Confident	89.7	Confident	5 Å²	5	35.9 Å²	35.9	3%	0.026	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-80.8	2.3	-179.1	62	169.6	0	0	0	114.2	M178 K181 I185 E186 A187 F190 M409 I413	M178-I183 HydrophobicContact CB-CD1 4.15Å; M178-I183 HydrophobicContact CB-CG1 4.1Å; M178-I183 HydrophobicContact CG-CD1 3.69Å; M178-I183 HydrophobicContact CG-CG1 4.21Å; M178-I183 HydrophobicContact SD-CD1 3.65Å; M178-I183 HydrophobicContact SD-CG1 4.37Å; K181-I183 HydrophobicContact CB-CG1 4.47Å; K181-I183 PolarHBondContact O-N 2.87Å; K181-I183 VanDerWaalsContact O-N 3.1Å; I183-I185 VanDerWaalsContact C-N 3.27Å; I183-I185 PolarHBondContact O-N 3.5Å; I183-E186 CarbonylContact O-C 3.42Å; I183-E186 PolarHBondContact O-N 3.02Å; I183-A187 PolarHBondContact O-N 3.47Å; I183-F190 HydrophobicContact CB-CD2 3.93Å; I183-F190 HydrophobicContact CB-CE2 4.08Å; I183-F190 HydrophobicContact CD1-CG 4.48Å; I183-F190 HydrophobicContact CG2-CD2 4.35Å; I183-F190 HydrophobicContact CG2-CE2 4.09Å; I183-F190 HydrophobicContact CG2-CZ 4.49Å; I183-M409 HydrophobicContact CG2-CB 4.22Å; I183-M409 HydrophobicContact CG2-CE 4.41Å; I183-M409 HydrophobicContact CG2-CG 3.61Å; I183-I413 HydrophobicContact CD1-CG1 4.12Å
184	S	83.3	Confident	89.7	Confident	49 Å²	49	35.8 Å²	35.8	34%	0.343	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-58.5	-34.9	-178.8	53.5	0	0	0	0	113.6	K181 L182 E186 A187	K181-S184 VanDerWaalsContact O-CB 3.23Å; K181-S184 WeakPolarHBondContact O-CB 3.15Å; K181-S184 PolarHBondContact O-N 3.39Å; K181-S184 PolarHBondContact O-OG 2.86Å; L182-S184 PolarHBondContact O-N 2.76Å; S184-E186 PolarHBondContact O-N 3.02Å; S184-A187 VanDerWaalsContact O-CB 3.27Å; S184-A187 WeakPolarHBondContact O-CB 3.47Å; S184-A187 PolarHBondContact O-N 3.28Å
185	I	86.4	Confident	89.7	Confident	155 Å²	155	36 Å²	36	80%	0.795	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-59.8	-35.4	179.8	-58.3	171.9	0	0	0	111.3	I183	I183-I185 VanDerWaalsContact C-N 3.27Å; I183-I185 PolarHBondContact O-N 3.5Å
186	E	90.1	Very high	89.7	Confident	52 Å²	52	35.4 Å²	35.4	24%	0.243	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-113.5	26.6	-177.4	-64.9	175.2	177	0	0	111.4	I183 S184 D188 F189 F190 T226 T227	I183-E186 CarbonylContact O-C 3.42Å; I183-E186 PolarHBondContact O-N 3.02Å; S184-E186 PolarHBondContact O-N 3.02Å; E186-D188 PolarHBondContact O-N 3.43Å; E186-D188 VanDerWaalsContact O-N 3.11Å; E186-F189 WeakPolarHBondContact O-CB 3.4Å; E186-F189 PolarHBondContact O-N 3.44Å; E186-F190 HydrophobicContact CB-CD2 3.98Å; E186-F190 HydrophobicContact CB-CE2 3.86Å; E186-F190 WeakPolarHBondContact O-CD2 3.44Å; E186-F190 PolarHBondContact O-N 3.15Å; E186-F190 VanDerWaalsContact O-N 3.15Å; E186-T226 PolarHBondContact OE1-OG1 3.24Å; E186-T226 WeakPolarHBondContact OE2-CB 3.45Å; E186-T226 PolarHBondContact OE2-OG1 3.25Å; E186-T227 VanDerWaalsContact CD-CG2 3.5Å; E186-T227 HydrophobicContact CG-CG2 4.3Å; E186-T227 WeakPolarHBondContact OE1-CG2 3.47Å; E186-T227 PolarHBondContact OE2-N 2.99Å
187	A	88.4	Confident	89.8	Confident	9 Å²	9	34.4 Å²	34.4	7%	0.074	19%	0.187	C	C	.	.	H	α-helix	trans	-56.2	-33.3	-174.1	0	0	0	0	0	112.8	K175 I183 S184 F189 A191	K175-A187 HydrophobicContact CG-CB 4.14Å; I183-A187 PolarHBondContact O-N 3.47Å; S184-A187 VanDerWaalsContact O-CB 3.27Å; S184-A187 WeakPolarHBondContact O-CB 3.47Å; S184-A187 PolarHBondContact O-N 3.28Å; A187-F189 PolarHBondContact O-N 2.77Å; A187-A191 WeakPolarHBondContact O-CA 3.28Å; A187-A191 WeakPolarHBondContact O-CB 3.4Å; A187-A191 PolarHBondContact O-N 3.19Å
188	D	92.3	Very high	89.8	Confident	95 Å²	95	34.1 Å²	34.1	51%	0.508	18%	0.184	S	C	.	.	H	α-helix	trans	-62.3	-42.5	177.6	-71.8	35.9	0	0	0	112.5	K175 E186 N192	K175-D188 WeakPolarHBondContact CE-OD1 3.46Å; K175-D188 IonicContact NZ-OD1 3.57Å; K175-D188 PolarHBondContact NZ-OD1 3.46Å; K175-D188 IonicContact NZ-OD2 2.68Å; K175-D188 PolarHBondContact NZ-OD2 3.4Å; E186-D188 PolarHBondContact O-N 3.43Å; E186-D188 VanDerWaalsContact O-N 3.11Å; D188-N192 PolarHBondContact O-N 2.86Å; D188-N192 PolarHBondContact O-ND2 3.43Å
189	F	94.3	Very high	89.8	Confident	76 Å²	76	38.7 Å²	38.7	33%	0.333	21%	0.206	S	C	.	.	H	α-helix	trans	-68.6	-51	178.2	171.1	-103.5	0	0	0	110.3	E186 A187 A191 N192 L193 T227 T229	E186-F189 WeakPolarHBondContact O-CB 3.4Å; E186-F189 PolarHBondContact O-N 3.44Å; A187-F189 PolarHBondContact O-N 2.77Å; F189-A191 PolarHBondContact O-N 3.17Å; F189-N192 PolarHBondContact O-N 3.26Å; F189-L193 HydrophobicContact CE1-CD1 4.14Å; F189-L193 HydrophobicContact CZ-CD1 4.06Å; F189-L193 WeakPolarHBondContact O-CB 3.48Å; F189-L193 PolarHBondContact O-N 3.35Å; F189-L193 VanDerWaalsContact O-N 3.09Å; F189-T227 VanDerWaalsContact CZ-O 3.31Å; F189-T227 WeakPolarHBondContact CZ-O 3.44Å; F189-T229 WeakPolarHBondContact CZ-O 3.39Å
190	F	94.4	Very high	89.9	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.1	-35.9	-179.8	-71.8	-68	0	0	0	112.6	M178 I183 E186 N192 L193 V194 T229 M409 I413	M178-F190 HydrophobicContact CE-CB 4.05Å; M178-F190 HydrophobicContact SD-CB 3.69Å; I183-F190 HydrophobicContact CB-CD2 3.93Å; I183-F190 HydrophobicContact CB-CE2 4.08Å; I183-F190 HydrophobicContact CD1-CG 4.48Å; I183-F190 HydrophobicContact CG2-CD2 4.35Å; I183-F190 HydrophobicContact CG2-CE2 4.09Å; I183-F190 HydrophobicContact CG2-CZ 4.49Å; E186-F190 HydrophobicContact CB-CD2 3.98Å; E186-F190 HydrophobicContact CB-CE2 3.86Å; E186-F190 WeakPolarHBondContact O-CD2 3.44Å; E186-F190 PolarHBondContact O-N 3.15Å; E186-F190 VanDerWaalsContact O-N 3.15Å; F190-N192 PolarHBondContact O-N 3.24Å; F190-L193 PolarHBondContact O-N 3.12Å; F190-V194 VanDerWaalsContact O-CB 3.3Å; F190-V194 WeakPolarHBondContact O-CB 3.22Å; F190-V194 WeakPolarHBondContact O-CG2 3.33Å; F190-V194 PolarHBondContact O-N 3.49Å; F190-T229 HydrophobicContact CE1-CG2 4.07Å; F190-M409 HydrophobicContact CE1-CE 4.08Å; F190-M409 HydrophobicContact CE2-CE 4.49Å; F190-M409 HydrophobicContact CZ-CE 3.59Å; F190-I413 HydrophobicContact CD1-CD1 3.97Å; F190-I413 HydrophobicContact CD1-CG1 4.48Å; F190-I413 HydrophobicContact CE1-CD1 4.13Å
191	A	93.7	Very high	90.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.6	-48.6	176.9	0	0	0	0	0	111.7	I171 A174 K175 A187 F189 V194 I195	I171-A191 HydrophobicContact CG2-CB 4.11Å; A174-A191 HydrophobicContact CB-CB 3.68Å; K175-A191 HydrophobicContact CG-CB 4.08Å; A187-A191 WeakPolarHBondContact O-CA 3.28Å; A187-A191 WeakPolarHBondContact O-CB 3.4Å; A187-A191 PolarHBondContact O-N 3.19Å; F189-A191 PolarHBondContact O-N 3.17Å; A191-V194 PolarHBondContact O-N 3.33Å; A191-I195 WeakPolarHBondContact O-CD1 3.43Å; A191-I195 VanDerWaalsContact O-CG1 3.22Å; A191-I195 WeakPolarHBondContact O-CG1 3.41Å; A191-I195 PolarHBondContact O-N 3.48Å; A191-I195 VanDerWaalsContact O-N 3.07Å
192	N	94.5	Very high	90.4	Very high	61 Å²	61	42.3 Å²	42.3	33%	0.326	21%	0.214	S	C	.	.	H	α-helix	trans	-63.6	-44.7	176.9	-76.2	-61.1	0	0	0	111.7	D188 F189 F190 V194 I195 D196	D188-N192 PolarHBondContact O-N 2.86Å; D188-N192 PolarHBondContact O-ND2 3.43Å; F189-N192 PolarHBondContact O-N 3.26Å; F190-N192 PolarHBondContact O-N 3.24Å; N192-V194 VanDerWaalsContact C-N 3.34Å; N192-V194 PolarHBondContact O-N 3.03Å; N192-I195 PolarHBondContact O-N 3Å; N192-D196 WeakPolarHBondContact O-CB 2.91Å; N192-D196 VanDerWaalsContact O-CG 3.31Å; N192-D196 PolarHBondContact O-N 3.08Å
193	L	94.7	Very high	90.8	Very high	13 Å²	13	41 Å²	41	7%	0.068	21%	0.209	C	C	.	.	H	α-helix	trans	-59.4	-44.4	179.5	-175.5	148.2	0	0	0	112.2	F189 F190 A197 T229 L231 I396	F189-L193 HydrophobicContact CE1-CD1 4.14Å; F189-L193 HydrophobicContact CZ-CD1 4.06Å; F189-L193 WeakPolarHBondContact O-CB 3.48Å; F189-L193 PolarHBondContact O-N 3.35Å; F189-L193 VanDerWaalsContact O-N 3.09Å; F190-L193 PolarHBondContact O-N 3.12Å; L193-A197 WeakPolarHBondContact O-CB 3.45Å; L193-A197 PolarHBondContact O-N 2.87Å; L193-T229 HydrophobicContact CD1-CG2 3.92Å; L193-L231 HydrophobicContact CD1-CB 4.28Å; L193-L231 HydrophobicContact CG-CB 4.12Å; L193-I396 HydrophobicContact CD2-CB 4.42Å; L193-I396 HydrophobicContact CD2-CD1 3.56Å; L193-I396 HydrophobicContact CD2-CG1 3.77Å; L193-I396 HydrophobicContact CD2-CG2 3.8Å
194	V	94.5	Very high	90.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-68.9	-40.3	-179.5	171.5	0	0	0	0	111.3	M178 F190 A191 N192 A197 L198 I413 A416 L417 L420	M178-V194 HydrophobicContact CE-CB 4.34Å; M178-V194 HydrophobicContact CE-CG2 3.93Å; F190-V194 VanDerWaalsContact O-CB 3.3Å; F190-V194 WeakPolarHBondContact O-CB 3.22Å; F190-V194 WeakPolarHBondContact O-CG2 3.33Å; F190-V194 PolarHBondContact O-N 3.49Å; A191-V194 PolarHBondContact O-N 3.33Å; N192-V194 VanDerWaalsContact C-N 3.34Å; N192-V194 PolarHBondContact O-N 3.03Å; V194-A197 PolarHBondContact O-N 3.37Å; V194-L198 HydrophobicContact CG1-CD1 4.43Å; V194-L198 PolarHBondContact O-N 3.28Å; V194-I413 HydrophobicContact CG2-CG2 4.04Å; V194-A416 HydrophobicContact CG1-CB 4.24Å; V194-L417 HydrophobicContact CB-CD2 4.42Å; V194-L417 HydrophobicContact CG1-CD2 3.46Å; V194-L417 VanDerWaalsContact CG1-CD2 3.46Å; V194-L417 HydrophobicContact CG1-CG 3.82Å; V194-L420 HydrophobicContact CB-CD1 4.36Å; V194-L420 HydrophobicContact CG1-CD1 3.47Å; V194-L420 VanDerWaalsContact CG1-CD1 3.47Å
195	I	93.5	Very high	90.8	Very high	5 Å²	5	49 Å²	49	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-62.3	-49.4	174.9	-69.3	165.1	0	0	0	110.3	L170 I171 A191 N192 A197 L198 E199 L420	L170-I195 HydrophobicContact CB-CD1 3.81Å; L170-I195 HydrophobicContact CB-CG1 4.33Å; I171-I195 HydrophobicContact CB-CD1 4.32Å; I171-I195 HydrophobicContact CG1-CD1 3.54Å; A191-I195 WeakPolarHBondContact O-CD1 3.43Å; A191-I195 VanDerWaalsContact O-CG1 3.22Å; A191-I195 WeakPolarHBondContact O-CG1 3.41Å; A191-I195 PolarHBondContact O-N 3.48Å; A191-I195 VanDerWaalsContact O-N 3.07Å; N192-I195 PolarHBondContact O-N 3Å; I195-A197 VanDerWaalsContact C-N 3.27Å; I195-A197 PolarHBondContact O-N 3.45Å; I195-L198 PolarHBondContact O-N 3.45Å; I195-L198 VanDerWaalsContact O-N 3.12Å; I195-E199 HydrophobicContact CG2-CG 4.44Å; I195-E199 PolarHBondContact O-N 2.88Å; I195-L420 HydrophobicContact CG1-CD1 3.84Å; I195-L420 HydrophobicContact CG1-CD2 4.36Å
196	D	93.5	Very high	90.6	Very high	52 Å²	52	44.5 Å²	44.5	28%	0.278	24%	0.235	S	C	.	.	H	α-helix	trans	-62.8	-35.9	179.6	-71.1	-14.2	0	0	0	111.9	R167 N192 K200 L231	R167-D196 IonicContact CZ-OD1 3.81Å; R167-D196 IonicContact NH1-OD1 2.66Å; R167-D196 PolarHBondContact NH1-OD1 3.09Å; R167-D196 IonicContact NH2-OD1 3.42Å; R167-D196 PolarHBondContact NH2-OD1 3.35Å; R167-D196 IonicContact NH2-OD2 3.43Å; N192-D196 WeakPolarHBondContact O-CB 2.91Å; N192-D196 VanDerWaalsContact O-CG 3.31Å; N192-D196 PolarHBondContact O-N 3.08Å; D196-K200 WeakPolarHBondContact O-CD 3.31Å; D196-K200 VanDerWaalsContact O-CG 3.28Å; D196-K200 WeakPolarHBondContact O-CG 3.41Å; D196-K200 PolarHBondContact O-N 3.46Å; D196-L231 HydrophobicContact CB-CD2 3.6Å
197	A	94.1	Very high	90.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.8	-40.7	174.9	0	0	0	0	0	112.2	L193 V194 I195 V201 I216 L231 S394 I396	L193-A197 WeakPolarHBondContact O-CB 3.45Å; L193-A197 PolarHBondContact O-N 2.87Å; V194-A197 PolarHBondContact O-N 3.37Å; I195-A197 VanDerWaalsContact C-N 3.27Å; I195-A197 PolarHBondContact O-N 3.45Å; A197-V201 PolarHBondContact O-N 2.79Å; A197-I216 HydrophobicContact CB-CD1 4.11Å; A197-I216 HydrophobicContact CB-CG2 4.45Å; A197-L231 HydrophobicContact CB-CD1 3.71Å; A197-S394 PolarHBondContact O-OG 3.41Å; A197-I396 HydrophobicContact CB-CD1 4Å; A197-I396 HydrophobicContact CB-CG1 4.36Å
198	L	92	Very high	89.9	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-70.5	-44.2	178.7	-85.5	166.6	0	0	0	112.9	V194 I195 K200 V201 K202 Y211 V213 I216 L417 L420 L424	V194-L198 HydrophobicContact CG1-CD1 4.43Å; V194-L198 PolarHBondContact O-N 3.28Å; I195-L198 PolarHBondContact O-N 3.45Å; I195-L198 VanDerWaalsContact O-N 3.12Å; L198-K200 PolarHBondContact O-N 3.34Å; L198-V201 HydrophobicContact CD2-CG2 4.45Å; L198-V201 WeakPolarHBondContact O-CG2 3.41Å; L198-V201 PolarHBondContact O-N 3.06Å; L198-V201 VanDerWaalsContact O-N 3.1Å; L198-K202 PolarHBondContact O-N 3.16Å; L198-Y211 HydrophobicContact CD2-CD1 4.49Å; L198-V213 HydrophobicContact CD2-CG2 4.43Å; L198-I216 HydrophobicContact CD2-CD1 4.12Å; L198-I216 HydrophobicContact CG-CD1 4.23Å; L198-L417 HydrophobicContact CD1-CD2 3.84Å; L198-L417 HydrophobicContact CD2-CD2 4.14Å; L198-L417 HydrophobicContact CG-CD2 3.59Å; L198-L420 HydrophobicContact CD1-CB 3.37Å; L198-L420 HydrophobicContact CD1-CD1 3.85Å; L198-L420 HydrophobicContact CD1-CG 4.29Å; L198-L424 HydrophobicContact CB-CD1 4.5Å
199	E	89.7	Confident	89.6	Confident	96 Å²	96	48.9 Å²	48.9	45%	0.449	27%	0.27	S	S	.	.	H	α-helix	trans	-58.3	-38.9	177.1	-74.6	-177.8	173.7	0	0	111.1	R167 I195 V201 K202	R167-E199 IonicContact NH1-OE1 3.68Å; R167-E199 IonicContact NH1-OE2 3.89Å; I195-E199 HydrophobicContact CG2-CG 4.44Å; I195-E199 PolarHBondContact O-N 2.88Å; E199-V201 PolarHBondContact O-N 2.78Å; E199-K202 VanDerWaalsContact O-CB 3.22Å; E199-K202 WeakPolarHBondContact O-CB 3.43Å; E199-K202 PolarHBondContact O-N 3.3Å
200	K	88.1	Confident	89.3	Confident	62 Å²	62	50.1 Å²	50.1	27%	0.27	28%	0.275	S	S	.	.	H	α-helix	trans	-66.5	-30.1	176.3	-74.1	169.6	-170.2	161.5	0	113.7	D196 L198 L231 N233 S392	D196-K200 WeakPolarHBondContact O-CD 3.31Å; D196-K200 VanDerWaalsContact O-CG 3.28Å; D196-K200 WeakPolarHBondContact O-CG 3.41Å; D196-K200 PolarHBondContact O-N 3.46Å; L198-K200 PolarHBondContact O-N 3.34Å; K200-L231 VanDerWaalsContact NZ-CD2 3.33Å; K200-N233 WeakPolarHBondContact CE-OD1 3.33Å; K200-N233 PolarHBondContact NZ-OD1 3.18Å; K200-S392 WeakPolarHBondContact O-CB 3.35Å; K200-S392 PolarHBondContact O-OG 2.76Å
201	V	88.9	Confident	89.2	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-94.5	4.6	179.4	-62.9	0	0	0	0	113.8	A197 L198 E199 V203 A215 I216 R391 S394	A197-V201 PolarHBondContact O-N 2.79Å; L198-V201 HydrophobicContact CD2-CG2 4.45Å; L198-V201 WeakPolarHBondContact O-CG2 3.41Å; L198-V201 PolarHBondContact O-N 3.06Å; L198-V201 VanDerWaalsContact O-N 3.1Å; E199-V201 PolarHBondContact O-N 2.78Å; V201-V203 PolarHBondContact O-N 3.06Å; V201-A215 HydrophobicContact CB-CB 4.38Å; V201-A215 HydrophobicContact CG1-CB 4.22Å; V201-I216 HydrophobicContact CB-CG1 4.35Å; V201-I216 HydrophobicContact CG1-CG1 3.71Å; V201-I216 HydrophobicContact CG2-CD1 3.86Å; V201-I216 HydrophobicContact CG2-CG1 3.79Å; V201-R391 PolarHBondContact O-NH2 3.13Å; V201-S394 WeakPolarHBondContact CG1-OG 3.44Å
202	K	89.7	Confident	88.8	Confident	87 Å²	87	53 Å²	53	38%	0.378	29%	0.292	S	S	.	.			trans	-51.7	128.2	177.7	-178.6	-179.9	177	-179.2	0	111.1	L198 E199 F209 Y211	L198-K202 PolarHBondContact O-N 3.16Å; E199-K202 VanDerWaalsContact O-CB 3.22Å; E199-K202 WeakPolarHBondContact O-CB 3.43Å; E199-K202 PolarHBondContact O-N 3.3Å; K202-F209 HydrophobicContact CD-CD1 4.21Å; K202-F209 HydrophobicContact CG-CD1 4.15Å; K202-Y211 HydrophobicContact CB-CD1 4.23Å; K202-Y211 HydrophobicContact CB-CE1 3.81Å; K202-Y211 HydrophobicContact CD-CE1 4.28Å; K202-Y211 HydrophobicContact CG-CE1 3.86Å
203	V	87.5	Confident	88.5	Confident	44 Å²	44	50.7 Å²	50.7	27%	0.267	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	136.6	167.5	151.5	0	0	0	0	111.2	V201 F209 K210 R391	V201-V203 PolarHBondContact O-N 3.06Å; V203-F209 WeakPolarHBondContact O-CA 3.27Å; V203-K210 PolarHBondContact N-O 3.13Å; V203-K210 PolarHBondContact O-N 3.37Å; V203-R391 VanDerWaalsContact CB-NH2 3.27Å; V203-R391 HydrophobicContact CG2-CG 4.04Å
204	Q	85.4	Confident	88	Confident	140 Å²	140	57.9 Å²	57.9	65%	0.654	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	119.1	170.8	-171.3	171.3	-8.4	0	0	108.9	G206 F209	Q204-G206 WeakPolarHBondContact CG-O 3.24Å; Q204-G206 PolarHBondContact NE2-O 3.37Å; Q204-F209 HydrophobicContact CB-CD1 4.15Å; Q204-F209 HydrophobicContact CB-CE1 4.05Å; Q204-F209 HydrophobicContact CG-CD1 4.34Å; Q204-F209 HydrophobicContact CG-CE1 4Å
205	D	81.9	Confident	87.5	Confident	81 Å²	81	58.8 Å²	58.8	43%	0.433	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	90.5	173.3	-169.8	19.9	0	0	0	107.7	S207 S208 K210	D205-S207 PolarHBondContact O-N 3.26Å; D205-S208 CarbonylContact C-O 3.59Å; D205-S208 PolarHBondContact N-O 3.41Å; D205-S208 PolarHBondContact O-N 2.88Å; D205-S208 VanDerWaalsContact O-N 3.11Å; D205-S208 PolarHBondContact O-OG 3.43Å; D205-K210 HydrophobicContact CB-CD 4.02Å; D205-K210 HydrophobicContact CB-CG 4.32Å; D205-K210 WeakPolarHBondContact OD2-CD 3.46Å; D205-K210 VanDerWaalsContact OD2-CE 3.23Å; D205-K210 WeakPolarHBondContact OD2-CE 3.4Å; D205-K210 IonicContact OD2-NZ 2.73Å; D205-K210 PolarHBondContact OD2-NZ 2.96Å
206	G	82.5	Confident	87.4	Confident	60 Å²	60	59 Å²	59	62%	0.619	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	-119.9	-171.3	0	0	0	0	0	112.1	Q204	Q204-G206 WeakPolarHBondContact CG-O 3.24Å; Q204-G206 PolarHBondContact NE2-O 3.37Å
207	S	79.9	Confident	87.5	Confident	128 Å²	128	57.3 Å²	57.3	90%	0.895	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-11.2	175.6	57.2	0	0	0	0	113.8	D205	D205-S207 PolarHBondContact O-N 3.26Å
208	S	82.9	Confident	87.5	Confident	54 Å²	54	58.4 Å²	58.4	38%	0.378	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	148.9	-177.6	70.3	0	0	0	0	111.4	D205	D205-S208 CarbonylContact C-O 3.59Å; D205-S208 PolarHBondContact N-O 3.41Å; D205-S208 PolarHBondContact O-N 2.88Å; D205-S208 VanDerWaalsContact O-N 3.11Å; D205-S208 PolarHBondContact O-OG 3.43Å
209	F	86.4	Confident	87.6	Confident	66 Å²	66	59.2 Å²	59.2	29%	0.289	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	132.8	169.5	-62.3	-65.7	0	0	0	109.1	K202 V203 Q204 Y211	K202-F209 HydrophobicContact CD-CD1 4.21Å; K202-F209 HydrophobicContact CG-CD1 4.15Å; V203-F209 WeakPolarHBondContact O-CA 3.27Å; Q204-F209 HydrophobicContact CB-CD1 4.15Å; Q204-F209 HydrophobicContact CB-CE1 4.05Å; Q204-F209 HydrophobicContact CG-CD1 4.34Å; Q204-F209 HydrophobicContact CG-CE1 4Å; F209-Y211 HydrophobicContact CB-CE2 3.85Å
210	K	88.5	Confident	87.7	Confident	102 Å²	102	58.2 Å²	58.2	44%	0.443	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	138.8	174.2	-72.7	-176.7	176.7	168.5	0	109.9	V203 D205 P212	V203-K210 PolarHBondContact N-O 3.13Å; V203-K210 PolarHBondContact O-N 3.37Å; D205-K210 HydrophobicContact CB-CD 4.02Å; D205-K210 HydrophobicContact CB-CG 4.32Å; D205-K210 WeakPolarHBondContact OD2-CD 3.46Å; D205-K210 VanDerWaalsContact OD2-CE 3.23Å; D205-K210 WeakPolarHBondContact OD2-CE 3.4Å; D205-K210 IonicContact OD2-NZ 2.73Å; D205-K210 PolarHBondContact OD2-NZ 2.96Å; K210-P212 WeakPolarHBondContact O-CD 3.42Å
211	Y	90.6	Very high	88	Confident	17 Å²	17	55.3 Å²	55.3	7%	0.067	30%	0.302	C	S	.	.			trans	-118.3	89.8	-179.5	-60.2	-95.8	0	0	0	109	L198 K202 F209 V213 K421 L424 E425	L198-Y211 HydrophobicContact CD2-CD1 4.49Å; K202-Y211 HydrophobicContact CB-CD1 4.23Å; K202-Y211 HydrophobicContact CB-CE1 3.81Å; K202-Y211 HydrophobicContact CD-CE1 4.28Å; K202-Y211 HydrophobicContact CG-CE1 3.86Å; F209-Y211 HydrophobicContact CB-CE2 3.85Å; Y211-V213 PolarHBondContact O-N 3.06Å; Y211-K421 WeakPolarHBondContact O-CD 3.16Å; Y211-L424 HydrophobicContact CD1-CD1 4.02Å; Y211-L424 HydrophobicContact CD2-CB 3.86Å; Y211-L424 HydrophobicContact CD2-CD1 4.45Å; Y211-L424 HydrophobicContact CE1-CB 4.48Å; Y211-L424 HydrophobicContact CE1-CD1 3.76Å; Y211-L424 HydrophobicContact CE2-CB 3.47Å; Y211-L424 VanDerWaalsContact CE2-CB 3.47Å; Y211-L424 HydrophobicContact CE2-CD1 4.26Å; Y211-L424 HydrophobicContact CE2-CG 4.43Å; Y211-L424 HydrophobicContact CG-CD1 4.34Å; Y211-E425 HydrophobicContact CD2-CG 4.06Å; Y211-E425 PolarHBondContact N-OE1 3.22Å
212	P	87.1	Confident	88.1	Confident	44 Å²	44	58.5 Å²	58.5	29%	0.286	32%	0.318	S	S	.	.			trans	-74.8	98.1	178.8	27.6	-29	0	0	0	109.9	K210 K214 A215	K210-P212 WeakPolarHBondContact O-CD 3.42Å; P212-K214 PolarHBondContact O-N 3.29Å; P212-K214 VanDerWaalsContact O-N 3.16Å; P212-A215 HydrophobicContact CB-CB 4.27Å; P212-A215 HydrophobicContact CG-CB 4Å; P212-A215 VanDerWaalsContact O-CB 3.24Å; P212-A215 WeakPolarHBondContact O-CB 3.32Å; P212-A215 PolarHBondContact O-N 3.23Å
213	V	86.8	Confident	88.2	Confident	12 Å²	12	55.3 Å²	55.3	7%	0.073	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-51.1	-38.5	173.8	173.9	0	0	0	0	111.4	L198 Y211 A215 I216 L417 K421	L198-V213 HydrophobicContact CD2-CG2 4.43Å; Y211-V213 PolarHBondContact O-N 3.06Å; V213-A215 PolarHBondContact O-N 2.88Å; V213-I216 PolarHBondContact O-N 2.84Å; V213-L417 HydrophobicContact CG1-CB 3.78Å; V213-L417 HydrophobicContact CG1-CD1 4.15Å; V213-L417 HydrophobicContact CG2-CB 4.15Å; V213-K421 HydrophobicContact CG2-CB 3.94Å; V213-K421 HydrophobicContact CG2-CD 3.83Å; V213-K421 HydrophobicContact CG2-CG 4.38Å
214	K	84.2	Confident	88.2	Confident	165 Å²	165	55.3 Å²	55.3	72%	0.717	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-64.2	-11.3	177.3	-66.3	-173	179.4	-177.5	0	114.6	P212 R339	P212-K214 PolarHBondContact O-N 3.29Å; P212-K214 VanDerWaalsContact O-N 3.16Å; K214-R339 PolarHBondContact O-NE 3.38Å; K214-R339 PolarHBondContact O-NH2 3.02Å
215	A	84.8	Confident	88.5	Confident	19 Å²	19	50.9 Å²	50.9	16%	0.157	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-81.8	-20.5	175.2	0	0	0	0	0	112.3	V201 P212 V213	V201-A215 HydrophobicContact CB-CB 4.38Å; V201-A215 HydrophobicContact CG1-CB 4.22Å; P212-A215 HydrophobicContact CB-CB 4.27Å; P212-A215 HydrophobicContact CG-CB 4Å; P212-A215 VanDerWaalsContact O-CB 3.24Å; P212-A215 WeakPolarHBondContact O-CB 3.32Å; P212-A215 PolarHBondContact O-N 3.23Å; V213-A215 PolarHBondContact O-N 2.88Å
216	I	92.1	Very high	89	Confident	9 Å²	9	48 Å²	48	5%	0.046	29%	0.289	C	S	.	.	S	Bend	trans	-80.6	120.1	173.9	-54	171.7	0	0	0	106.9	A197 L198 V201 V213 S394 I396 L417	A197-I216 HydrophobicContact CB-CD1 4.11Å; A197-I216 HydrophobicContact CB-CG2 4.45Å; L198-I216 HydrophobicContact CD2-CD1 4.12Å; L198-I216 HydrophobicContact CG-CD1 4.23Å; V201-I216 HydrophobicContact CB-CG1 4.35Å; V201-I216 HydrophobicContact CG1-CG1 3.71Å; V201-I216 HydrophobicContact CG2-CD1 3.86Å; V201-I216 HydrophobicContact CG2-CG1 3.79Å; V213-I216 PolarHBondContact O-N 2.84Å; I216-S394 WeakPolarHBondContact CA-O 3.21Å; I216-I396 HydrophobicContact CG2-CD1 3.99Å; I216-I396 HydrophobicContact CG2-CG1 4.12Å; I216-L417 HydrophobicContact CD1-CD1 4.15Å; I216-L417 HydrophobicContact CD1-CD2 3.5Å; I216-L417 HydrophobicContact CD1-CG 4.47Å
217	N	93.7	Very high	89.4	Confident	16 Å²	16	48.3 Å²	48.3	9%	0.086	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	130.5	174.4	-160.2	20.7	0	0	0	109.7	Y235 A236 S394 S395 I396	N217-Y235 HydrophobicContact CB-CD2 4.46Å; N217-Y235 HydrophobicContact CB-CE1 4.33Å; N217-Y235 HydrophobicContact CB-CE2 3.82Å; N217-A236 PolarHBondContact ND2-O 3.13Å; N217-S394 PolarHBondContact N-O 3.41Å; N217-S395 CarbonylContact O-C 3.47Å; N217-S395 WeakPolarHBondContact O-CA 3.09Å; N217-I396 PolarHBondContact O-N 3.48Å
218	I	94.6	Very high	90	Very high	24 Å²	24	46.2 Å²	46.2	12%	0.123	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.7	175.1	-55.9	173.7	0	0	0	106.6	I396 L398 E410 I413 L417	I218-I396 WeakPolarHBondContact CA-O 3.45Å; I218-L398 HydrophobicContact CG2-CD1 3.47Å; I218-L398 VanDerWaalsContact CG2-CD1 3.47Å; I218-L398 HydrophobicContact CG2-CG 3.9Å; I218-E410 HydrophobicContact CB-CG 4.45Å; I218-E410 HydrophobicContact CG2-CB 4.36Å; I218-E410 HydrophobicContact CG2-CG 3.98Å; I218-I413 HydrophobicContact CD1-CG2 3.93Å; I218-L417 HydrophobicContact CD1-CD1 4.11Å
219	L	93.7	Very high	90.5	Very high	17 Å²	17	43.9 Å²	43.9	9%	0.089	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	151.3	176.3	-65	-178.7	0	0	0	109.2	A236 N238 L382 I396 L398	L219-A236 HydrophobicContact CD1-CB 3.53Å; L219-N238 HydrophobicContact CD2-CB 3.93Å; L219-L382 HydrophobicContact CD1-CD1 4.06Å; L219-L382 HydrophobicContact CD1-CD2 4.15Å; L219-I396 PolarHBondContact N-O 3.47Å; L219-L398 PolarHBondContact O-N 2.81Å
220	K	93.5	Very high	90.9	Very high	75 Å²	75	44.5 Å²	44.5	33%	0.326	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127	178.2	-65.4	178.4	-67.6	-155.8	0	107.3	L398 L406 D407 E410	K220-L398 HydrophobicContact CG-CD1 4.48Å; K220-L406 HydrophobicContact CB-CB 4.27Å; K220-L406 HydrophobicContact CB-CD1 4.23Å; K220-L406 HydrophobicContact CD-CB 3.89Å; K220-L406 HydrophobicContact CG-CB 4.08Å; K220-D407 IonicContact NZ-OD1 3.58Å; K220-D407 PolarHBondContact NZ-OD1 3.28Å; K220-E410 HydrophobicContact CD-CB 4.47Å; K220-E410 WeakPolarHBondContact CD-OE2 3.39Å; K220-E410 VanDerWaalsContact CE-OE2 3.29Å; K220-E410 WeakPolarHBondContact CE-OE2 3.35Å; K220-E410 IonicContact NZ-OE2 2.75Å; K220-E410 PolarHBondContact NZ-OE2 3.41Å
221	A	92.7	Very high	91.2	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.008	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	113.4	176.3	0	0	0	0	0	108.5	I377 I397 L398 R399	A221-I377 HydrophobicContact CB-CG2 3.9Å; A221-I397 HydrophobicContact CB-CG2 3.96Å; A221-L398 PolarHBondContact N-O 3.23Å; A221-R399 PolarHBondContact O-NH1 3.25Å
222	L	92.1	Very high	91.3	Very high	67 Å²	67	41.2 Å²	41.2	35%	0.351	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	144.7	-177.7	-78	153.8	0	0	0	112.1	N378 R399 E403 L406	L222-N378 PolarHBondContact O-ND2 2.89Å; L222-R399 PolarHBondContact O-NH1 3.32Å; L222-E403 HydrophobicContact CD1-CG 3.86Å; L222-E403 HydrophobicContact CD2-CG 3.88Å; L222-E403 HydrophobicContact CG-CG 4.21Å; L222-L406 HydrophobicContact CD2-CD1 3.95Å; L222-L406 HydrophobicContact CG-CD1 4.05Å
223	G	90.8	Very high	91.4	Very high	21 Å²	21	43.9 Å²	43.9	22%	0.216	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	97.8	170.5	178.4	0	0	0	0	0	114.1	R399 G400	G223-R399 WeakPolarHBondContact O-CB 3.43Å; G223-R399 PolarHBondContact O-NE 2.94Å; G223-R399 VanDerWaalsContact O-NE 3.16Å; G223-R399 PolarHBondContact O-NH2 3.42Å; G223-G400 PolarHBondContact N-O 3.19Å; G223-G400 PolarHBondContact O-N 3.37Å
224	G	88.9	Confident	91.6	Very high	43 Å²	43	43.3 Å²	43.3	44%	0.443	25%	0.248	S	C	.	.	S	Bend	trans	76.1	-177.7	-172.4	0	0	0	0	0	113.4	D228	G224-D228 VanDerWaalsContact CA-OD2 3.28Å; G224-D228 WeakPolarHBondContact CA-OD2 3.15Å
225	S	91.1	Very high	92	Very high	47 Å²	47	35.6 Å²	35.6	33%	0.329	21%	0.214	S	C	.	.			trans	-84.6	169.3	166.5	64.6	0	0	0	0	111	T227 D228 R399	S225-T227 VanDerWaalsContact C-N 3.29Å; S225-T227 PolarHBondContact O-N 3.33Å; S225-T227 PolarHBondContact OG-OG1 3.17Å; S225-D228 PolarHBondContact N-OD2 3.06Å; S225-D228 WeakPolarHBondContact O-CB 2.98Å; S225-D228 PolarHBondContact O-N 3.45Å; S225-D228 PolarHBondContact OG-N 2.98Å; S225-D228 PolarHBondContact OG-OD1 2.94Å; S225-D228 PolarHBondContact OG-OD2 2.87Å; S225-R399 CarbonylContact O-C 3.57Å; S225-R399 WeakPolarHBondContact O-CB 3.25Å
226	T	91.4	Very high	92.4	Very high	21 Å²	21	34.7 Å²	34.7	13%	0.129	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-62.8	-35.8	170.6	39.7	0	0	0	0	112.7	E186 D228 T229 M405 M409	E186-T226 PolarHBondContact OE1-OG1 3.24Å; E186-T226 WeakPolarHBondContact OE2-CB 3.45Å; E186-T226 PolarHBondContact OE2-OG1 3.25Å; T226-D228 PolarHBondContact O-N 3.38Å; T226-T229 VanDerWaalsContact O-CB 3.28Å; T226-T229 WeakPolarHBondContact O-CB 3.49Å; T226-T229 PolarHBondContact O-N 3.32Å; T226-T229 PolarHBondContact O-OG1 3.47Å; T226-M405 HydrophobicContact CG2-CE 3.25Å; T226-M405 HydrophobicContact CG2-SD 4.16Å; T226-M409 HydrophobicContact CG2-CE 3.77Å; T226-M409 HydrophobicContact CG2-SD 3.8Å
227	T	91.5	Very high	92.5	Very high	66 Å²	66	34.3 Å²	34.3	41%	0.405	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-65.6	-20.1	173.9	37.8	0	0	0	0	114.3	E186 F189 S225 T229	E186-T227 VanDerWaalsContact CD-CG2 3.5Å; E186-T227 HydrophobicContact CG-CG2 4.3Å; E186-T227 WeakPolarHBondContact OE1-CG2 3.47Å; E186-T227 PolarHBondContact OE2-N 2.99Å; F189-T227 VanDerWaalsContact CZ-O 3.31Å; F189-T227 WeakPolarHBondContact CZ-O 3.44Å; S225-T227 VanDerWaalsContact C-N 3.29Å; S225-T227 PolarHBondContact O-N 3.33Å; S225-T227 PolarHBondContact OG-OG1 3.17Å; T227-T229 PolarHBondContact O-N 2.94Å
228	D	92.6	Very high	92.3	Very high	84 Å²	84	37.6 Å²	37.6	45%	0.449	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-72.9	-1.1	174.1	-66.4	-29.1	0	0	0	112.6	G224 S225 T226 V230 R399	G224-D228 VanDerWaalsContact CA-OD2 3.28Å; G224-D228 WeakPolarHBondContact CA-OD2 3.15Å; S225-D228 PolarHBondContact N-OD2 3.06Å; S225-D228 WeakPolarHBondContact O-CB 2.98Å; S225-D228 PolarHBondContact O-N 3.45Å; S225-D228 PolarHBondContact OG-N 2.98Å; S225-D228 PolarHBondContact OG-OD1 2.94Å; S225-D228 PolarHBondContact OG-OD2 2.87Å; T226-D228 PolarHBondContact O-N 3.38Å; D228-V230 VanDerWaalsContact O-CG2 3.28Å; D228-V230 WeakPolarHBondContact O-CG2 3.39Å; D228-V230 PolarHBondContact O-N 2.91Å; D228-R399 HydrophobicContact CB-CB 3.98Å; D228-R399 HydrophobicContact CB-CG 3.98Å; D228-R399 WeakPolarHBondContact O-CG 3.44Å
229	T	94.5	Very high	92.1	Very high	6 Å²	6	37.4 Å²	37.4	4%	0.037	22%	0.223	C	C	.	.			trans	-58.4	128.1	175.9	-66.5	0	0	0	0	110.8	F189 F190 L193 T226 T227 I396 I397 L398 R399	F189-T229 WeakPolarHBondContact CZ-O 3.39Å; F190-T229 HydrophobicContact CE1-CG2 4.07Å; L193-T229 HydrophobicContact CD1-CG2 3.92Å; T226-T229 VanDerWaalsContact O-CB 3.28Å; T226-T229 WeakPolarHBondContact O-CB 3.49Å; T226-T229 PolarHBondContact O-N 3.32Å; T226-T229 PolarHBondContact O-OG1 3.47Å; T227-T229 PolarHBondContact O-N 2.94Å; T229-I396 HydrophobicContact CG2-CG2 3.74Å; T229-I397 VanDerWaalsContact CA-O 3.3Å; T229-I397 WeakPolarHBondContact CA-O 3.32Å; T229-I397 WeakPolarHBondContact CG2-O 3.46Å; T229-L398 HydrophobicContact CG2-CD2 3.75Å; T229-R399 PolarHBondContact OG1-N 2.99Å
230	V	93.4	Very high	91.8	Very high	78 Å²	78	39.7 Å²	39.7	47%	0.473	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.6	-174.6	-173.8	0	0	0	0	111.7	D228 V232 I397	D228-V230 VanDerWaalsContact O-CG2 3.28Å; D228-V230 WeakPolarHBondContact O-CG2 3.39Å; D228-V230 PolarHBondContact O-N 2.91Å; V230-V232 HydrophobicContact CG1-CG2 4.45Å; V230-I397 PolarHBondContact N-O 3.12Å; V230-I397 VanDerWaalsContact N-O 3.15Å; V230-I397 PolarHBondContact O-N 3.48Å
231	L	94.7	Very high	91.8	Very high	35 Å²	35	36.8 Å²	36.8	18%	0.183	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	114.8	165.2	179.9	61.9	0	0	0	110.3	L193 D196 A197 K200 I396	L193-L231 HydrophobicContact CD1-CB 4.28Å; L193-L231 HydrophobicContact CG-CB 4.12Å; D196-L231 HydrophobicContact CB-CD2 3.6Å; A197-L231 HydrophobicContact CB-CD1 3.71Å; K200-L231 VanDerWaalsContact NZ-CD2 3.33Å; L231-I396 HydrophobicContact CD1-CG1 3.96Å
232	V	92.3	Very high	91.7	Very high	16 Å²	16	37.4 Å²	37.4	10%	0.097	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.7	176.4	-178.3	0	0	0	0	110.6	V230 G234 F384 S394 S395 I397	V230-V232 HydrophobicContact CG1-CG2 4.45Å; V232-G234 PolarHBondContact O-N 3.48Å; V232-F384 HydrophobicContact CG1-CD1 3.93Å; V232-F384 HydrophobicContact CG1-CE1 4.49Å; V232-F384 HydrophobicContact CG2-CD1 4.16Å; V232-F384 HydrophobicContact CG2-CE1 3.88Å; V232-S394 WeakPolarHBondContact O-CA 3.49Å; V232-S395 PolarHBondContact N-O 3.12Å; V232-S395 PolarHBondContact O-N 2.95Å; V232-I397 HydrophobicContact CG2-CD1 3.85Å; V232-I397 HydrophobicContact CG2-CG1 4.25Å
233	N	89.8	Confident	91.8	Very high	100 Å²	100	36.3 Å²	36.3	54%	0.535	23%	0.228	S	C	.	.	S	Bend	trans	-77.3	71.1	171.2	-67.9	-16.1	0	0	0	110.7	K200 G387	K200-N233 WeakPolarHBondContact CE-OD1 3.33Å; K200-N233 PolarHBondContact NZ-OD1 3.18Å; N233-G387 PolarHBondContact O-N 3.46Å
234	G	91	Very high	91.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.7	-163.5	-176.7	0	0	0	0	0	112.5	V232 I385 A393 S394 S395	V232-G234 PolarHBondContact O-N 3.48Å; G234-I385 CarbonylContact C-O 3.53Å; G234-I385 WeakPolarHBondContact CA-O 3.04Å; G234-A393 WeakPolarHBondContact CA-O 3.49Å; G234-A393 PolarHBondContact N-O 3.43Å; G234-A393 CarbonylContact O-C 3.46Å; G234-S394 CarbonylContact O-C 3.49Å; G234-S394 VanDerWaalsContact O-CA 3.24Å; G234-S394 WeakPolarHBondContact O-CA 3.42Å; G234-S394 PolarHBondContact O-N 3.03Å; G234-S395 PolarHBondContact O-N 3.35Å; G234-S395 VanDerWaalsContact O-N 3.13Å; G234-S395 PolarHBondContact O-OG 3.03Å
235	Y	92.6	Very high	91.9	Very high	3 Å²	3	43.6 Å²	43.6	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.8	175.6	-156.4	-89.4	0	0	0	110.4	N217 L237 D336 R339 I340 I385 A393 S395	N217-Y235 HydrophobicContact CB-CD2 4.46Å; N217-Y235 HydrophobicContact CB-CE1 4.33Å; N217-Y235 HydrophobicContact CB-CE2 3.82Å; Y235-L237 HydrophobicContact CE1-CD1 4.35Å; Y235-D336 HydrophobicContact CE1-CB 3.98Å; Y235-D336 VanDerWaalsContact OH-CG 3.31Å; Y235-D336 PolarHBondContact OH-OD1 3.41Å; Y235-R339 HydrophobicContact CE2-CB 3.78Å; Y235-R339 HydrophobicContact CE2-CG 4.49Å; Y235-R339 WeakPolarHBondContact OH-CD 3.34Å; Y235-R339 PolarHBondContact OH-NH1 3.5Å; Y235-I340 HydrophobicContact CD1-CD1 3.62Å; Y235-I340 HydrophobicContact CD1-CG1 3.41Å; Y235-I340 VanDerWaalsContact CD1-CG1 3.41Å; Y235-I340 HydrophobicContact CD2-CG1 4.39Å; Y235-I340 HydrophobicContact CE1-CD1 3.87Å; Y235-I340 HydrophobicContact CE1-CG1 3.81Å; Y235-I340 HydrophobicContact CG-CD1 4.41Å; Y235-I340 HydrophobicContact CG-CG1 3.73Å; Y235-I385 PolarHBondContact N-O 3.05Å; Y235-I385 PolarHBondContact O-N 3.33Å; Y235-A393 HydrophobicContact CD2-CB 4.45Å; Y235-S395 WeakPolarHBondContact CA-OG 3.48Å
236	A	93.9	Very high	92	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	135.5	172.6	0	0	0	0	0	109.4	N217 L219 V383 F384 S395	N217-A236 PolarHBondContact ND2-O 3.13Å; L219-A236 HydrophobicContact CD1-CB 3.53Å; A236-V383 CarbonylContact C-O 3.6Å; A236-F384 HydrophobicContact CB-CD1 3.69Å; A236-F384 HydrophobicContact CB-CE1 3.51Å; A236-S395 PolarHBondContact N-OG 3.31Å
237	L	93	Very high	92.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.9	-178.5	-170.7	94.5	0	0	0	109.2	Y235 C239 V329 D336 I340 V383	Y235-L237 HydrophobicContact CE1-CD1 4.35Å; L237-C239 HydrophobicContact CD2-CB 3.57Å; L237-C239 HydrophobicContact CG-CB 4.19Å; L237-C239 PolarHBondContact O-N 3.44Å; L237-V329 HydrophobicContact CD2-CG1 3.88Å; L237-D336 HydrophobicContact CD1-CB 3.79Å; L237-I340 HydrophobicContact CD1-CD1 3.88Å; L237-V383 HydrophobicContact CB-CB 4.38Å; L237-V383 PolarHBondContact N-O 3.05Å; L237-V383 PolarHBondContact O-N 2.96Å
238	N	90.8	Very high	92.2	Very high	86 Å²	86	46 Å²	46	46%	0.46	26%	0.257	S	S	.	.			trans	-83.8	70.6	172.2	-170.9	-4.3	0	0	0	110.5	L219 L382	L219-N238 HydrophobicContact CD2-CB 3.93Å; N238-L382 HydrophobicContact CB-CD2 3.71Å
239	C	90	Very high	92.3	Very high	20 Å²	20	46.9 Å²	46.9	14%	0.135	26%	0.258	C	S	.	.			trans	-144.4	154.6	169.9	-59.9	0	0	0	0	108.9	L237 V329 V383	L237-C239 HydrophobicContact CD2-CB 3.57Å; L237-C239 HydrophobicContact CG-CB 4.19Å; L237-C239 PolarHBondContact O-N 3.44Å; C239-V329 HydrophobicContact CB-CG1 3.53Å; C239-V383 WeakPolarHBondContact O-CG2 3.46Å
240	T	88.3	Confident	92.3	Very high	65 Å²	65	47.2 Å²	47.2	40%	0.399	26%	0.26	S	S	.	.			trans	-100.1	155.1	175.8	57.7	0	0	0	0	111.7	E381	T240-E381 HydrophobicContact CG2-CB 3.94Å
241	M	92	Very high	92.3	Very high	14 Å²	14	47.2 Å²	47.2	7%	0.069	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-54.9	151.4	167.5	-83.3	177.9	-30.1	0	0	111.6	S243 M246 R248 M327 Q374	M241-S243 VanDerWaalsContact C-N 3.28Å; M241-S243 PolarHBondContact O-N 3.27Å; M241-M246 HydrophobicContact CE-CB 4.36Å; M241-M246 HydrophobicContact SD-CB 3.83Å; M241-R248 HydrophobicContact CE-CG 3.7Å; M241-M327 HydrophobicContact CG-CE 3.55Å; M241-M327 HydrophobicContact CG-CG 3.91Å; M241-M327 HydrophobicContact SD-CE 3.57Å; M241-M327 VanDerWaalsContact SD-CE 3.57Å; M241-M327 HydrophobicContact SD-CG 3.85Å; M241-M327 HydrophobicContact SD-SD 4.5Å; M241-Q374 VanDerWaalsContact CB-OE1 3.27Å; M241-Q374 PolarHBondContact SD-OE1 3.47Å; M241-Q374 VanDerWaalsContact SD-OE1 3.34Å
242	A	92.1	Very high	92.3	Very high	13 Å²	13	51.5 Å²	51.5	11%	0.107	29%	0.287	C	S	.	.	S	Bend	trans	-70.1	-24.5	-179.8	0	0	0	0	0	113.6	M246 L313 V318 A328 R330	A242-M246 HydrophobicContact CB-CE 4.1Å; A242-M246 HydrophobicContact CB-SD 4.3Å; A242-L313 HydrophobicContact CB-CD1 3.74Å; A242-V318 HydrophobicContact CB-CG1 4.39Å; A242-V318 HydrophobicContact CB-CG2 3.94Å; A242-A328 WeakPolarHBondContact CB-O 3.19Å; A242-A328 PolarHBondContact N-O 2.78Å; A242-R330 HydrophobicContact CB-CG 4.42Å
243	S	93.3	Very high	92.3	Very high	44 Å²	44	50.7 Å²	50.7	31%	0.308	28%	0.282	S	S	.	.			trans	-150.9	146.9	176.9	179.8	0	0	0	0	110.7	M241 G245 M246	M241-S243 VanDerWaalsContact C-N 3.28Å; M241-S243 PolarHBondContact O-N 3.27Å; S243-G245 PolarHBondContact O-N 3.43Å; S243-G245 PolarHBondContact OG-N 2.85Å; S243-M246 WeakPolarHBondContact O-CB 3.16Å; S243-M246 PolarHBondContact O-N 2.87Å
244	E	90.4	Very high	92.6	Very high	166 Å²	166	50.1 Å²	50.1	78%	0.776	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-18.7	174.9	-63.4	-174.1	172.8	0	0	113.5	M246	E244-M246 PolarHBondContact O-N 3.27Å
245	G	91.2	Very high	92.9	Very high	52 Å²	52	50.1 Å²	50.1	54%	0.536	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-2.2	176	0	0	0	0	0	114.3	S243	S243-G245 PolarHBondContact O-N 3.43Å; S243-G245 PolarHBondContact OG-N 2.85Å
246	M	93.8	Very high	93	Very high	7 Å²	7	50 Å²	50	3%	0.034	27%	0.274	C	S	.	.	S	Bend	trans	-84.6	152.9	177.4	-66.7	177.7	177.3	0	0	111.4	M241 A242 S243 E244 R248 V318 F321 V322 A328	M241-M246 HydrophobicContact CE-CB 4.36Å; M241-M246 HydrophobicContact SD-CB 3.83Å; A242-M246 HydrophobicContact CB-CE 4.1Å; A242-M246 HydrophobicContact CB-SD 4.3Å; S243-M246 WeakPolarHBondContact O-CB 3.16Å; S243-M246 PolarHBondContact O-N 2.87Å; E244-M246 PolarHBondContact O-N 3.27Å; M246-R248 PolarHBondContact O-N 2.77Å; M246-V318 HydrophobicContact CE-CG1 3.76Å; M246-F321 HydrophobicContact CE-CB 3.81Å; M246-V322 HydrophobicContact CE-CG2 3.85Å; M246-V322 HydrophobicContact CG-CG2 3.74Å; M246-A328 HydrophobicContact CE-CB 3.81Å; M246-A328 HydrophobicContact SD-CB 3.92Å; M246-A328 PolarHBondContact SD-N 3.49Å
247	P	93.3	Very high	93.1	Very high	43 Å²	43	50 Å²	50	28%	0.279	27%	0.274	S	S	.	.			trans	-64.5	127.1	175.6	26.9	-33.8	0	0	0	110.8	H249 V250 M327	P247-H249 VanDerWaalsContact C-N 3.35Å; P247-V250 HydrophobicContact CB-CG2 4.24Å; P247-V250 HydrophobicContact CG-CG2 3.99Å; P247-M327 HydrophobicContact CG-CB 4.42Å
248	R	92.9	Very high	93.1	Very high	135 Å²	135	50 Å²	50	51%	0.509	27%	0.274	S	S	.	.	S	Bend	trans	-76.9	-21.2	176.5	-68.4	-177.5	179.5	-161.9	-4	113.4	M241 M246 V373 Q374	M241-R248 HydrophobicContact CE-CG 3.7Å; M246-R248 PolarHBondContact O-N 2.77Å; R248-V373 CarbonylContact O-C 3.59Å; R248-V373 WeakPolarHBondContact O-CA 3.44Å; R248-Q374 PolarHBondContact O-N 2.98Å
249	H	94.9	Very high	93.3	Very high	101 Å²	101	48.6 Å²	48.6	47%	0.468	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126.1	179.1	-176.5	-87.5	0	0	0	108.9	P247 E371 V373	P247-H249 VanDerWaalsContact C-N 3.35Å; H249-E371 IonicContact CD2-OE2 2.73Å; H249-E371 IonicContact CE1-OE2 3.91Å; H249-E371 IonicContact NE2-OE2 3.69Å; H249-E371 PolarHBondContact NE2-OE2 3.1Å; H249-V373 WeakPolarHBondContact CD2-CG2 3.3Å
250	V	94.6	Very high	93.3	Very high	14 Å²	14	49 Å²	49	9%	0.085	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	111.8	178.2	-177.7	0	0	0	0	108.4	P247 N305 V306 M327 E371 V372	P247-V250 HydrophobicContact CB-CG2 4.24Å; P247-V250 HydrophobicContact CG-CG2 3.99Å; V250-N305 HydrophobicContact CG1-CB 4.02Å; V250-N305 WeakPolarHBondContact CG1-ND2 3.08Å; V250-V306 HydrophobicContact CB-CG2 4.13Å; V250-V306 HydrophobicContact CG1-CG2 4Å; V250-V306 HydrophobicContact CG2-CG2 4.31Å; V250-M327 HydrophobicContact CG2-CB 3.99Å; V250-M327 HydrophobicContact CG2-SD 4.41Å; V250-E371 CarbonylContact O-C 3.49Å; V250-E371 WeakPolarHBondContact O-CA 3.28Å; V250-V372 PolarHBondContact N-O 2.65Å; V250-V372 PolarHBondContact O-N 3.3Å
251	S	93.9	Very high	93.4	Very high	78 Å²	78	48 Å²	48	55%	0.545	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	151.3	171.6	55.8	0	0	0	0	111.3
252	N	93.3	Very high	93.2	Very high	124 Å²	124	47.3 Å²	47.3	66%	0.663	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	49.8	58.6	-174.9	-67.1	-54	0	0	0	112.2	K254 N305 A369 D370	N252-K254 PolarHBondContact O-N 2.93Å; N252-N305 PolarHBondContact O-ND2 3.4Å; N252-A369 CarbonylContact C-O 3.45Å; N252-D370 PolarHBondContact N-O 3.35Å
253	A	93.9	Very high	92.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	121.2	-175	0	0	0	0	0	112.4	I255 N305 V306 H368 A369 V372	A253-I255 HydrophobicContact CB-CD1 4.25Å; A253-I255 HydrophobicContact CB-CG1 4.01Å; A253-N305 VanDerWaalsContact CA-OD1 3.32Å; A253-N305 WeakPolarHBondContact CA-OD1 3.29Å; A253-V306 HydrophobicContact CB-CG2 3.97Å; A253-H368 CarbonylContact O-C 3.53Å; A253-H368 WeakPolarHBondContact O-CA 3.24Å; A253-A369 HydrophobicContact CB-CB 4.36Å; A253-A369 PolarHBondContact N-O 3.32Å; A253-A369 PolarHBondContact O-N 2.69Å; A253-V372 HydrophobicContact CB-CB 4.24Å; A253-V372 HydrophobicContact CB-CG2 3.46Å; A253-V372 VanDerWaalsContact CB-CG2 3.46Å
254	K	96	Very high	92.3	Very high	87 Å²	87	55 Å²	55	38%	0.378	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	100.3	164.3	-67.1	177.8	178.1	-179.7	0	108.9	N252 G303 N305 V306 L366 G367	N252-K254 PolarHBondContact O-N 2.93Å; K254-G303 WeakPolarHBondContact CD-O 3.31Å; K254-N305 WeakPolarHBondContact CA-OD1 3.43Å; K254-N305 PolarHBondContact N-ND2 3.08Å; K254-N305 PolarHBondContact N-OD1 2.65Å; K254-N305 PolarHBondContact O-N 3.36Å; K254-N305 VanDerWaalsContact O-N 3.12Å; K254-N305 PolarHBondContact O-OD1 3.49Å; K254-V306 PolarHBondContact O-N 2.86Å; K254-L366 HydrophobicContact CB-CD1 4.25Å; K254-G367 CarbonylContact C-O 3.58Å; K254-G367 VanDerWaalsContact CA-O 3.3Å; K254-G367 WeakPolarHBondContact CA-O 3.4Å
255	I	95.7	Very high	91.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	121.7	-167.2	-60.3	164.3	0	0	0	110.5	A253 V306 L308 T344 G367 A369 V372 I385	A253-I255 HydrophobicContact CB-CD1 4.25Å; A253-I255 HydrophobicContact CB-CG1 4.01Å; I255-V306 CarbonylContact C-O 3.51Å; I255-V306 WeakPolarHBondContact CA-O 3.35Å; I255-V306 HydrophobicContact CG1-CB 3.99Å; I255-V306 HydrophobicContact CG1-CG1 4.24Å; I255-V306 HydrophobicContact CG2-CG1 4.5Å; I255-L308 HydrophobicContact CG2-CD1 3.82Å; I255-L308 HydrophobicContact CG2-CG 4.1Å; I255-T344 HydrophobicContact CD1-CG2 3.63Å; I255-G367 PolarHBondContact N-O 3.43Å; I255-G367 PolarHBondContact O-N 3.17Å; I255-A369 HydrophobicContact CD1-CB 3.69Å; I255-V372 HydrophobicContact CD1-CG2 3.95Å; I255-V372 HydrophobicContact CG1-CG2 4.35Å; I255-I385 HydrophobicContact CD1-CD1 4.49Å; I255-I385 HydrophobicContact CD1-CG2 3.71Å
256	A	95.4	Very high	90.8	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.7	169	0	0	0	0	0	110.6	I299 A304 V306 V307 L308 F361 L366	A256-I299 HydrophobicContact CB-CG2 4.47Å; A256-A304 HydrophobicContact CB-CB 4.19Å; A256-V306 PolarHBondContact N-O 3.45Å; A256-V307 HydrophobicContact CB-CG1 4.46Å; A256-V307 HydrophobicContact CB-CG2 4.31Å; A256-L308 PolarHBondContact O-N 3.02Å; A256-F361 HydrophobicContact CB-CE1 4.28Å; A256-F361 HydrophobicContact CB-CZ 3.91Å; A256-L366 HydrophobicContact CB-CD2 3.69Å
257	C	95.5	Very high	90	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	110.8	176.5	-65.5	0	0	0	0	111	A341 A346 L348 I349	C257-A341 HydrophobicContact CB-CB 4.26Å; C257-A346 HydrophobicContact CB-CB 4.39Å; C257-L348 HydrophobicContact CB-CD1 4.04Å; C257-I349 PolarHBondContact O-N 3.41Å
258	L	94.2	Very high	89.3	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.9	-171.6	-57.2	180	0	0	0	111.6	L260 L262 I299 V307 L308 V309 S310 I349 F361	L258-L260 HydrophobicContact CB-CD1 4.47Å; L258-L260 HydrophobicContact CB-CG 4.15Å; L258-L260 PolarHBondContact O-N 3.4Å; L258-L262 HydrophobicContact CD1-CD1 4.24Å; L258-I299 HydrophobicContact CD1-CD1 3.56Å; L258-I299 HydrophobicContact CD1-CG1 4.4Å; L258-V307 HydrophobicContact CD1-CG1 3.79Å; L258-L308 PolarHBondContact N-O 3.41Å; L258-V309 HydrophobicContact CB-CG2 4.32Å; L258-V309 HydrophobicContact CD1-CG2 4.19Å; L258-V309 WeakPolarHBondContact O-CA 3.3Å; L258-S310 PolarHBondContact O-N 2.99Å; L258-I349 HydrophobicContact CD2-CB 4.09Å; L258-I349 HydrophobicContact CD2-CD1 4.45Å; L258-I349 HydrophobicContact CD2-CG2 4.45Å; L258-F361 HydrophobicContact CD2-CE2 3.59Å; L258-F361 HydrophobicContact CD2-CZ 4.12Å
259	N	94.6	Very high	88.5	Confident	57 Å²	57	70.6 Å²	70.6	31%	0.305	35%	0.347	S	S	.	.			trans	-98.9	56.4	172.1	-171.9	32.2	0	0	0	111.9	S310 V334 L348 I349	N259-S310 VanDerWaalsContact CA-OG 3.29Å; N259-S310 WeakPolarHBondContact CA-OG 3.37Å; N259-S310 WeakPolarHBondContact OD1-CB 3.36Å; N259-S310 PolarHBondContact OD1-OG 2.93Å; N259-V334 WeakPolarHBondContact OD1-CG2 3.36Å; N259-L348 HydrophobicContact CB-CD1 4.03Å; N259-L348 HydrophobicContact CB-CD2 4.37Å; N259-L348 HydrophobicContact CB-CG 4.17Å; N259-I349 PolarHBondContact N-O 2.68Å
260	L	90.5	Very high	87.8	Confident	28 Å²	28	69.7 Å²	69.7	15%	0.147	37%	0.365	C	S	.	.	S	Bend	trans	-149.1	173.6	-179.4	55	85.9	0	0	0	109.8	L258 L262 V309 S310 G311 L352	L258-L260 HydrophobicContact CB-CD1 4.47Å; L258-L260 HydrophobicContact CB-CG 4.15Å; L258-L260 PolarHBondContact O-N 3.4Å; L260-L262 HydrophobicContact CD1-CD2 3.43Å; L260-L262 VanDerWaalsContact CD1-CD2 3.43Å; L260-L262 HydrophobicContact CD1-CG 3.77Å; L260-V309 WeakPolarHBondContact O-CG1 3.37Å; L260-S310 PolarHBondContact N-OG 2.84Å; L260-G311 WeakPolarHBondContact O-CA 3.44Å; L260-G311 PolarHBondContact O-N 2.91Å; L260-G311 VanDerWaalsContact O-N 3.13Å; L260-L352 HydrophobicContact CD2-CD1 4.36Å; L260-L352 HydrophobicContact CD2-CD2 4.46Å; L260-L352 HydrophobicContact CD2-CG 3.92Å
261	S	89.4	Confident	87.1	Confident	44 Å²	44	74.3 Å²	74.3	31%	0.308	39%	0.389	S	S	.	.			trans	-105.4	137.9	170	-61.6	0	0	0	0	109.8	G311 G312	S261-G311 WeakPolarHBondContact OG-CA 3.48Å; S261-G312 PolarHBondContact OG-N 3.48Å
262	L	88.6	Confident	86.5	Confident	1 Å²	1	79.6 Å²	79.6	1%	0.005	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	-103.1	83.9	171.8	-58.9	170.9	0	0	0	108	L258 L260 R295 V296 I299 V309 G312 L313 S314 F321	L258-L262 HydrophobicContact CD1-CD1 4.24Å; L260-L262 HydrophobicContact CD1-CD2 3.43Å; L260-L262 VanDerWaalsContact CD1-CD2 3.43Å; L260-L262 HydrophobicContact CD1-CG 3.77Å; L262-R295 HydrophobicContact CD2-CB 4.19Å; L262-V296 HydrophobicContact CB-CG2 4.49Å; L262-V296 HydrophobicContact CD1-CG2 4.13Å; L262-I299 HydrophobicContact CD1-CD1 3.9Å; L262-I299 HydrophobicContact CD2-CD1 4.22Å; L262-V309 HydrophobicContact CD1-CG2 4.33Å; L262-G312 PolarHBondContact N-O 3.39Å; L262-L313 HydrophobicContact CB-CD2 3.64Å; L262-L313 HydrophobicContact CD1-CD2 3.78Å; L262-L313 HydrophobicContact CG-CD2 4.07Å; L262-L313 CarbonylContact O-C 3.5Å; L262-L313 WeakPolarHBondContact O-CA 2.89Å; L262-S314 PolarHBondContact O-N 3.33Å; L262-F321 HydrophobicContact CD1-CE2 4.02Å; L262-F321 HydrophobicContact CD1-CZ 3.92Å
263	K	84.7	Confident	85.8	Confident	118 Å²	118	77.2 Å²	77.2	51%	0.513	39%	0.389	S	S	.	.	S	Bend	trans	-139.7	170.7	-179.7	60.2	179.7	178.9	179.1	0	110	Q265	K263-Q265 PolarHBondContact O-N 3.13Å
264	E	81	Confident	85.2	Confident	99 Å²	99	83.8 Å²	83.8	46%	0.463	42%	0.422	S	S	.	.			trans	-53.3	123.4	167.7	-68.4	150.3	-151.4	0	0	109	K266 A289	E264-K266 PolarHBondContact O-N 3.43Å; E264-A289 HydrophobicContact CG-CB 4.38Å
265	Q	74.8	Confident	84.6	Confident	87 Å²	87	83.2 Å²	83.2	41%	0.407	42%	0.422	S	S	.	.			trans	-91.3	107.6	-173.6	-159.8	170.4	-7	0	0	108.2	K263 R295	K263-Q265 PolarHBondContact O-N 3.13Å; Q265-R295 VanDerWaalsContact OE1-CZ 3.28Å; Q265-R295 VanDerWaalsContact OE1-NH2 3.08Å
266	K	75.2	Confident	84.1	Confident	181 Å²	181	92.6 Å²	92.6	79%	0.787	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-70.2	141.9	169	-65	-171.3	177	-173	0	108.9	E264	E264-K266 PolarHBondContact O-N 3.43Å
267	M	77.1	Confident	83.6	Confident	109 Å²	109	97.4 Å²	97.4	54%	0.537	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-60.8	150.5	173.5	-65	-67.7	-132	0	0	111.2	L271 I273	M267-L271 HydrophobicContact CB-CB 4.21Å; M267-L271 HydrophobicContact CB-CD1 4.25Å; M267-L271 HydrophobicContact SD-CD1 4.44Å; M267-I273 HydrophobicContact CG-CD1 4.08Å
268	D	78.9	Confident	83	Confident	127 Å²	127	101.3 Å²	101.3	68%	0.679	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-62.9	152.2	-179.1	-73.8	-30.3	0	0	0	112.8	G270 L271	D268-G270 PolarHBondContact O-N 3.04Å; D268-G270 VanDerWaalsContact O-N 3.16Å; D268-L271 HydrophobicContact CB-CD1 4.41Å; D268-L271 PolarHBondContact O-N 3.03Å; D268-L271 VanDerWaalsContact O-N 3.14Å
269	F	76	Confident	82.6	Confident	227 Å²	227	103.6 Å²	103.6	100%	0.996	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	119.5	176	-81.4	-85.9	0	0	0	110.6
270	G	80.4	Confident	82.1	Confident	83 Å²	83	105.5 Å²	105.5	86%	0.856	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	115.8	-16.9	-178.3	0	0	0	0	0	113.8	D268 K272	D268-G270 PolarHBondContact O-N 3.04Å; D268-G270 VanDerWaalsContact O-N 3.16Å; G270-K272 PolarHBondContact O-N 3.05Å
271	L	81	Confident	81.7	Confident	110 Å²	110	106.6 Å²	106.6	58%	0.576	56%	0.56	S	S	*	*			trans	-83.2	111	170.9	-75.1	163.3	0	0	0	109.9	M267 D268	M267-L271 HydrophobicContact CB-CB 4.21Å; M267-L271 HydrophobicContact CB-CD1 4.25Å; M267-L271 HydrophobicContact SD-CD1 4.44Å; D268-L271 HydrophobicContact CB-CD1 4.41Å; D268-L271 PolarHBondContact O-N 3.03Å; D268-L271 VanDerWaalsContact O-N 3.14Å
272	K	80.7	Confident	81.4	Confident	190 Å²	190	110.3 Å²	110.3	83%	0.826	57%	0.574	S	S	*	*			trans	-101.4	108.5	173.2	-156.9	178	-173.4	-178	0	108.9	G270 I274	G270-K272 PolarHBondContact O-N 3.05Å; K272-I274 PolarHBondContact O-N 3.3Å
273	I	77.5	Confident	81.3	Confident	74 Å²	74	114 Å²	114	38%	0.379	60%	0.598	S	S	.	*			trans	-74.5	120.4	173.8	-61.9	168.2	0	0	0	107.8	M267 I275 M284	M267-I273 HydrophobicContact CG-CD1 4.08Å; I273-I275 HydrophobicContact CG2-CG1 3.9Å; I273-M284 HydrophobicContact CD1-CE 3.83Å; I273-M284 HydrophobicContact CG1-CE 4.27Å; I273-M284 HydrophobicContact CG2-CE 3.54Å; I273-M284 HydrophobicContact CG2-SD 3.82Å
274	I	83.1	Confident	81.2	Confident	137 Å²	137	111.8 Å²	111.8	70%	0.703	59%	0.59	S	S	*	*			trans	-103.6	106	174.1	-60.3	170.2	0	0	0	107.2	K272	K272-I274 PolarHBondContact O-N 3.3Å
275	I	81.7	Confident	81.2	Confident	75 Å²	75	111.8 Å²	111.8	39%	0.385	59%	0.593	S	S	.	*			trans	-85.6	121.6	177.3	-56.5	177.2	0	0	0	107.9	I273 D277 E280 T281 M284	I273-I275 HydrophobicContact CG2-CG1 3.9Å; I275-D277 WeakPolarHBondContact CG2-O 3.42Å; I275-E280 HydrophobicContact CG2-CB 4.39Å; I275-T281 HydrophobicContact CD1-CG2 4.11Å; I275-M284 HydrophobicContact CG1-SD 4.42Å
276	K	85.6	Confident	81.8	Confident	198 Å²	198	114.1 Å²	114.1	86%	0.861	60%	0.602	S	S	*	*	S	Bend	trans	-93	-28.6	178.2	-68.2	-176.6	-178.2	177.6	0	112.7
277	D	86	Confident	82.2	Confident	100 Å²	100	109.3 Å²	109.3	54%	0.535	58%	0.582	S	S	.	*	S	Bend	trans	-125.2	132.4	179.7	-177.5	15.3	0	0	0	110.6	I275 G279 E280	I275-D277 WeakPolarHBondContact CG2-O 3.42Å; D277-G279 PolarHBondContact O-N 3.32Å; D277-G279 PolarHBondContact OD1-N 3.2Å; D277-E280 HydrophobicContact CB-CG 4.32Å; D277-E280 PolarHBondContact O-N 2.91Å; D277-E280 VanDerWaalsContact O-N 3.13Å
278	A	82.1	Confident	82.4	Confident	82 Å²	82	106.8 Å²	106.8	68%	0.678	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-60.5	-28.6	-178.2	0	0	0	0	0	112.3	E280 T281	A278-E280 VanDerWaalsContact C-N 3.27Å; A278-E280 PolarHBondContact O-N 3.46Å; A278-T281 WeakPolarHBondContact O-CB 3.17Å; A278-T281 PolarHBondContact O-N 3.24Å; A278-T281 PolarHBondContact O-OG1 3.21Å
279	G	86.2	Confident	82.5	Confident	48 Å²	48	101.5 Å²	101.5	50%	0.495	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-63.4	-25.3	177.3	0	0	0	0	0	114.7	D277 T281 P283	D277-G279 PolarHBondContact O-N 3.32Å; D277-G279 PolarHBondContact OD1-N 3.2Å; G279-T281 VanDerWaalsContact C-N 3.32Å; G279-T281 PolarHBondContact O-N 3.47Å; G279-P283 WeakPolarHBondContact O-CD 3.34Å
280	E	82.9	Confident	82.9	Confident	98 Å²	98	92.5 Å²	92.5	46%	0.458	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-76.9	-18.8	-178.2	-65.5	-176.9	154.4	0	0	113.2	I275 D277 A278 M282 P283 M284	I275-E280 HydrophobicContact CG2-CB 4.39Å; D277-E280 HydrophobicContact CB-CG 4.32Å; D277-E280 PolarHBondContact O-N 2.91Å; D277-E280 VanDerWaalsContact O-N 3.13Å; A278-E280 VanDerWaalsContact C-N 3.27Å; A278-E280 PolarHBondContact O-N 3.46Å; E280-M282 PolarHBondContact O-N 3.28Å; E280-P283 VanDerWaalsContact O-CD 3.3Å; E280-P283 WeakPolarHBondContact O-CD 3.45Å; E280-M284 VanDerWaalsContact O-CG 3.3Å; E280-M284 WeakPolarHBondContact O-CG 3.47Å; E280-M284 PolarHBondContact O-N 2.79Å; E280-M284 VanDerWaalsContact O-N 3.17Å
281	T	82.5	Confident	83.1	Confident	51 Å²	51	90.8 Å²	90.8	31%	0.313	48%	0.476	S	S	.	.	H	α-helix	trans	-59.5	-44.5	-177.7	-40	0	0	0	0	112.2	I275 A278 G279 M284 L285	I275-T281 HydrophobicContact CD1-CG2 4.11Å; A278-T281 WeakPolarHBondContact O-CB 3.17Å; A278-T281 PolarHBondContact O-N 3.24Å; A278-T281 PolarHBondContact O-OG1 3.21Å; G279-T281 VanDerWaalsContact C-N 3.32Å; G279-T281 PolarHBondContact O-N 3.47Å; T281-M284 PolarHBondContact O-N 2.64Å; T281-L285 HydrophobicContact CG2-CD1 4.11Å; T281-L285 WeakPolarHBondContact O-CD1 3.4Å; T281-L285 PolarHBondContact O-N 2.78Å; T281-L285 VanDerWaalsContact O-N 3.1Å
282	M	84.1	Confident	83.2	Confident	122 Å²	122	85.6 Å²	85.6	60%	0.601	45%	0.449	S	S	*	.	H	α-helix	trans	-69.8	-45.8	-176.8	-73.7	-66.3	-79.7	0	0	113.3	E280 M284 K286	E280-M282 PolarHBondContact O-N 3.28Å; M282-M284 VanDerWaalsContact C-N 3.32Å; M282-M284 PolarHBondContact O-N 3.11Å; M282-K286 WeakPolarHBondContact O-CB 3.31Å; M282-K286 WeakPolarHBondContact O-CG 3.33Å; M282-K286 PolarHBondContact O-N 3.31Å
283	P	86.7	Confident	83.5	Confident	79 Å²	79	81 Å²	81	51%	0.513	43%	0.427	S	S	.	.	H	α-helix	trans	-54.4	-43.7	169.5	-27	32.3	0	0	0	113.4	G279 E280 K286 E287	G279-P283 WeakPolarHBondContact O-CD 3.34Å; E280-P283 VanDerWaalsContact O-CD 3.3Å; E280-P283 WeakPolarHBondContact O-CD 3.45Å; P283-K286 WeakPolarHBondContact O-CB 3.4Å; P283-K286 PolarHBondContact O-N 3Å; P283-E287 WeakPolarHBondContact O-CB 3.5Å; P283-E287 PolarHBondContact O-N 2.93Å
284	M	82.1	Confident	84	Confident	71 Å²	71	83.4 Å²	83.4	35%	0.35	43%	0.431	S	S	.	.	H	α-helix	trans	-63.8	-48	-179.5	-69.2	-169.6	86.6	0	0	112.1	I273 I275 E280 T281 M282 K286 E287 E288	I273-M284 HydrophobicContact CD1-CE 3.83Å; I273-M284 HydrophobicContact CG1-CE 4.27Å; I273-M284 HydrophobicContact CG2-CE 3.54Å; I273-M284 HydrophobicContact CG2-SD 3.82Å; I275-M284 HydrophobicContact CG1-SD 4.42Å; E280-M284 VanDerWaalsContact O-CG 3.3Å; E280-M284 WeakPolarHBondContact O-CG 3.47Å; E280-M284 PolarHBondContact O-N 2.79Å; E280-M284 VanDerWaalsContact O-N 3.17Å; T281-M284 PolarHBondContact O-N 2.64Å; M282-M284 VanDerWaalsContact C-N 3.32Å; M282-M284 PolarHBondContact O-N 3.11Å; M284-K286 VanDerWaalsContact C-N 3.3Å; M284-K286 PolarHBondContact O-N 3.29Å; M284-E287 PolarHBondContact O-N 3.35Å; M284-E288 PolarHBondContact O-N 3.13Å
285	L	81.7	Confident	84.2	Confident	98 Å²	98	78.9 Å²	78.9	51%	0.513	41%	0.405	S	S	.	.	H	α-helix	trans	-58.3	-41.9	174.4	-83.3	153.6	0	0	0	112.1	T281 E287 A289	T281-L285 HydrophobicContact CG2-CD1 4.11Å; T281-L285 WeakPolarHBondContact O-CD1 3.4Å; T281-L285 PolarHBondContact O-N 2.78Å; T281-L285 VanDerWaalsContact O-N 3.1Å; L285-E287 VanDerWaalsContact C-N 3.29Å; L285-E287 PolarHBondContact O-N 2.93Å; L285-A289 PolarHBondContact O-N 3.44Å
286	K	85.7	Confident	84.7	Confident	137 Å²	137	75.3 Å²	75.3	60%	0.596	39%	0.387	S	S	*	.	H	α-helix	trans	-62.1	-40.3	174.4	-77.9	179.5	179.9	179.3	0	111.2	M282 P283 M284 A289 N290	M282-K286 WeakPolarHBondContact O-CB 3.31Å; M282-K286 WeakPolarHBondContact O-CG 3.33Å; M282-K286 PolarHBondContact O-N 3.31Å; P283-K286 WeakPolarHBondContact O-CB 3.4Å; P283-K286 PolarHBondContact O-N 3Å; M284-K286 VanDerWaalsContact C-N 3.3Å; M284-K286 PolarHBondContact O-N 3.29Å; K286-A289 PolarHBondContact O-N 2.71Å; K286-N290 WeakPolarHBondContact O-CB 3.41Å; K286-N290 PolarHBondContact O-N 3.44Å; K286-N290 PolarHBondContact O-ND2 3.19Å; K286-N290 PolarHBondContact O-OD1 3.29Å
287	E	84.5	Confident	84.9	Confident	79 Å²	79	69.6 Å²	69.6	37%	0.369	36%	0.363	S	S	.	.	H	α-helix	trans	-69.8	-39.2	-177.5	-162.9	53.2	-150.4	0	0	112.6	P283 M284 L285 A289 N290 I291 R294	P283-E287 WeakPolarHBondContact O-CB 3.5Å; P283-E287 PolarHBondContact O-N 2.93Å; M284-E287 PolarHBondContact O-N 3.35Å; L285-E287 VanDerWaalsContact C-N 3.29Å; L285-E287 PolarHBondContact O-N 2.93Å; E287-A289 VanDerWaalsContact C-N 3.26Å; E287-A289 PolarHBondContact O-N 3.37Å; E287-N290 WeakPolarHBondContact O-CB 3.26Å; E287-N290 PolarHBondContact O-N 3.47Å; E287-N290 PolarHBondContact OE2-ND2 3Å; E287-I291 WeakPolarHBondContact O-CG1 3.38Å; E287-I291 PolarHBondContact O-N 3.35Å; E287-R294 IonicContact OE1-CZ 3.43Å; E287-R294 IonicContact OE1-NE 3.29Å; E287-R294 IonicContact OE1-NH2 3.45Å; E287-R294 PolarHBondContact OE1-NH2 3.23Å
288	E	80.6	Confident	85.1	Confident	56 Å²	56	67.8 Å²	67.8	26%	0.262	35%	0.351	S	S	.	.	H	α-helix	trans	-55.5	-42	171	-73	-174	166.9	0	0	112	M284	M284-E288 PolarHBondContact O-N 3.13Å
289	A	80.6	Confident	85.5	Confident	17 Å²	17	63.9 Å²	63.9	14%	0.14	32%	0.318	C	S	.	.	H	α-helix	trans	-72	-33.7	174.5	0	0	0	0	0	113	E264 L285 K286 E287 I291 R293 L316	E264-A289 HydrophobicContact CG-CB 4.38Å; L285-A289 PolarHBondContact O-N 3.44Å; K286-A289 PolarHBondContact O-N 2.71Å; E287-A289 VanDerWaalsContact C-N 3.26Å; E287-A289 PolarHBondContact O-N 3.37Å; A289-I291 VanDerWaalsContact C-N 3.33Å; A289-I291 PolarHBondContact O-N 3.18Å; A289-R293 PolarHBondContact O-N 3.49Å; A289-L316 HydrophobicContact CB-CD1 3.95Å
290	N	86.1	Confident	85.7	Confident	37 Å²	37	63.8 Å²	63.8	20%	0.198	31%	0.306	C	S	.	.	H	α-helix	trans	-68	-30.5	179.1	-66.8	-15.8	0	0	0	112.4	K286 E287 R293 R294	K286-N290 WeakPolarHBondContact O-CB 3.41Å; K286-N290 PolarHBondContact O-N 3.44Å; K286-N290 PolarHBondContact O-ND2 3.19Å; K286-N290 PolarHBondContact O-OD1 3.29Å; E287-N290 WeakPolarHBondContact O-CB 3.26Å; E287-N290 PolarHBondContact O-N 3.47Å; E287-N290 PolarHBondContact OE2-ND2 3Å; N290-R293 WeakPolarHBondContact O-CB 3.42Å; N290-R293 PolarHBondContact O-N 3.21Å; N290-R293 PolarHBondContact OD1-NH1 2.9Å; N290-R293 PolarHBondContact OD1-NH2 2.89Å; N290-R294 WeakPolarHBondContact O-CG 3.41Å; N290-R294 PolarHBondContact O-N 3.04Å
291	I	83.8	Confident	86.2	Confident	47 Å²	47	66.5 Å²	66.5	24%	0.241	32%	0.316	C	S	.	.	H	α-helix	trans	-59.5	-50.7	177.5	-68.4	164.5	0	0	0	110.4	E287 A289 R293 R294 R295	E287-I291 WeakPolarHBondContact O-CG1 3.38Å; E287-I291 PolarHBondContact O-N 3.35Å; A289-I291 VanDerWaalsContact C-N 3.33Å; A289-I291 PolarHBondContact O-N 3.18Å; I291-R293 VanDerWaalsContact C-N 3.28Å; I291-R293 PolarHBondContact O-N 2.64Å; I291-R294 PolarHBondContact O-N 2.91Å; I291-R295 PolarHBondContact O-N 3.03Å
292	G	83.6	Confident	86.5	Confident	2 Å²	2	64.9 Å²	64.9	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-59.6	-41.8	175.9	0	0	0	0	0	111.9	R295 V296	G292-R295 PolarHBondContact O-N 3.35Å; G292-V296 WeakPolarHBondContact O-CG2 3.49Å; G292-V296 PolarHBondContact O-N 3.22Å; G292-V296 VanDerWaalsContact O-N 3.13Å
293	R	86.4	Confident	86.9	Confident	94 Å²	94	60.7 Å²	60.7	36%	0.355	30%	0.295	S	S	.	.	H	α-helix	trans	-59.5	-47.9	177.7	-160.5	-175.4	-57.1	121.4	19.8	113	A289 N290 I291 R295 V296 E297 Q320	A289-R293 PolarHBondContact O-N 3.49Å; N290-R293 WeakPolarHBondContact O-CB 3.42Å; N290-R293 PolarHBondContact O-N 3.21Å; N290-R293 PolarHBondContact OD1-NH1 2.9Å; N290-R293 PolarHBondContact OD1-NH2 2.89Å; I291-R293 VanDerWaalsContact C-N 3.28Å; I291-R293 PolarHBondContact O-N 2.64Å; R293-R295 VanDerWaalsContact C-N 3.31Å; R293-R295 PolarHBondContact O-N 2.76Å; R293-V296 PolarHBondContact O-N 2.71Å; R293-E297 PolarHBondContact O-N 2.91Å; R293-Q320 HydrophobicContact CG-CG 4.5Å; R293-Q320 PolarHBondContact O-OE1 3.32Å
294	R	88.3	Confident	87.2	Confident	123 Å²	123	57.1 Å²	57.1	46%	0.464	27%	0.272	S	S	.	.	H	α-helix	trans	-62.6	-38.5	-179.4	-75.8	-173	-78.8	161.7	-2	111.6	E287 N290 I291 E297 K298	E287-R294 IonicContact OE1-CZ 3.43Å; E287-R294 IonicContact OE1-NE 3.29Å; E287-R294 IonicContact OE1-NH2 3.45Å; E287-R294 PolarHBondContact OE1-NH2 3.23Å; N290-R294 WeakPolarHBondContact O-CG 3.41Å; N290-R294 PolarHBondContact O-N 3.04Å; I291-R294 PolarHBondContact O-N 2.91Å; R294-E297 PolarHBondContact O-N 3.22Å; R294-K298 WeakPolarHBondContact O-CG 3.45Å; R294-K298 PolarHBondContact O-N 2.75Å; R294-K298 VanDerWaalsContact O-N 3.08Å
295	R	88.1	Confident	87.8	Confident	43 Å²	43	55.4 Å²	55.4	16%	0.162	27%	0.265	C	S	.	.	H	α-helix	trans	-63.8	-46.1	175.6	-73.7	177.4	169.5	159.4	10.7	112.5	L262 Q265 I291 G292 R293 E297 K298 I299 L352 E359	L262-R295 HydrophobicContact CD2-CB 4.19Å; Q265-R295 VanDerWaalsContact OE1-CZ 3.28Å; Q265-R295 VanDerWaalsContact OE1-NH2 3.08Å; I291-R295 PolarHBondContact O-N 3.03Å; G292-R295 PolarHBondContact O-N 3.35Å; R293-R295 VanDerWaalsContact C-N 3.31Å; R293-R295 PolarHBondContact O-N 2.76Å; R295-E297 VanDerWaalsContact C-N 3.32Å; R295-E297 PolarHBondContact O-N 2.9Å; R295-K298 PolarHBondContact O-N 2.66Å; R295-I299 WeakPolarHBondContact O-CG1 3.35Å; R295-I299 PolarHBondContact O-N 2.7Å; R295-I299 VanDerWaalsContact O-N 3.1Å; R295-L352 HydrophobicContact CB-CD1 3.61Å; R295-L352 HydrophobicContact CG-CD1 3.5Å; R295-E359 WeakPolarHBondContact CG-OE2 3.22Å; R295-E359 IonicContact CZ-OE1 3.42Å; R295-E359 VanDerWaalsContact CZ-OE1 3.29Å; R295-E359 IonicContact NE-OE1 2.78Å; R295-E359 PolarHBondContact NE-OE1 3.29Å; R295-E359 IonicContact NE-OE2 2.66Å; R295-E359 PolarHBondContact NE-OE2 3.42Å; R295-E359 IonicContact NH2-OE1 3.74Å; R295-E359 PolarHBondContact NH2-OE1 3.41Å
296	V	90.6	Very high	88.5	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.1	-43.4	176.1	170.5	0	0	0	0	110.9	L262 G292 R293 K298 I299 I300 C317 Q320 F321	L262-V296 HydrophobicContact CB-CG2 4.49Å; L262-V296 HydrophobicContact CD1-CG2 4.13Å; G292-V296 WeakPolarHBondContact O-CG2 3.49Å; G292-V296 PolarHBondContact O-N 3.22Å; G292-V296 VanDerWaalsContact O-N 3.13Å; R293-V296 PolarHBondContact O-N 2.71Å; V296-K298 VanDerWaalsContact C-N 3.31Å; V296-K298 PolarHBondContact O-N 2.66Å; V296-I299 PolarHBondContact O-N 3.3Å; V296-I299 VanDerWaalsContact O-N 3.15Å; V296-I300 HydrophobicContact CG1-CD1 3.61Å; V296-I300 HydrophobicContact CG1-CG1 4.3Å; V296-I300 WeakPolarHBondContact O-CG1 3.4Å; V296-I300 PolarHBondContact O-N 2.89Å; V296-C317 HydrophobicContact CG2-CB 3.74Å; V296-Q320 HydrophobicContact CG1-CB 3.83Å; V296-F321 HydrophobicContact CB-CZ 4.26Å; V296-F321 HydrophobicContact CG1-CD1 4.07Å; V296-F321 HydrophobicContact CG1-CD2 4.31Å; V296-F321 HydrophobicContact CG1-CE1 3.72Å; V296-F321 HydrophobicContact CG1-CE2 3.99Å; V296-F321 HydrophobicContact CG1-CG 4.36Å; V296-F321 HydrophobicContact CG1-CZ 3.68Å; V296-F321 HydrophobicContact CG2-CE2 3.9Å; V296-F321 HydrophobicContact CG2-CZ 3.9Å
297	E	91	Very high	89	Confident	78 Å²	78	44.2 Å²	44.2	36%	0.364	21%	0.212	S	C	.	.	H	α-helix	trans	-61.9	-38.5	178.8	-161.6	-176.6	154.4	0	0	112.4	R293 R294 R295 I300 K301	R293-E297 PolarHBondContact O-N 2.91Å; R294-E297 PolarHBondContact O-N 3.22Å; R295-E297 VanDerWaalsContact C-N 3.32Å; R295-E297 PolarHBondContact O-N 2.9Å; E297-I300 PolarHBondContact O-N 3.45Å; E297-K301 HydrophobicContact CG-CD 4.47Å; E297-K301 WeakPolarHBondContact O-CB 3.36Å; E297-K301 VanDerWaalsContact O-CG 3.3Å; E297-K301 WeakPolarHBondContact O-CG 3.31Å; E297-K301 PolarHBondContact O-N 3.39Å; E297-K301 VanDerWaalsContact OE1-CE 3.26Å; E297-K301 WeakPolarHBondContact OE1-CE 3.45Å; E297-K301 IonicContact OE1-NZ 2.73Å; E297-K301 PolarHBondContact OE1-NZ 3.41Å
298	K	88.7	Confident	89.5	Confident	62 Å²	62	40.5 Å²	40.5	27%	0.27	19%	0.194	S	C	.	.	H	α-helix	trans	-63.5	-42.9	173.4	-71.3	171.4	178.2	-173.5	0	111.9	R294 R295 V296 K301 S302 E359	R294-K298 WeakPolarHBondContact O-CG 3.45Å; R294-K298 PolarHBondContact O-N 2.75Å; R294-K298 VanDerWaalsContact O-N 3.08Å; R295-K298 PolarHBondContact O-N 2.66Å; V296-K298 VanDerWaalsContact C-N 3.31Å; V296-K298 PolarHBondContact O-N 2.66Å; K298-K301 PolarHBondContact O-N 2.91Å; K298-S302 PolarHBondContact O-N 2.84Å; K298-S302 VanDerWaalsContact O-N 3.16Å; K298-E359 HydrophobicContact CD-CB 4.26Å; K298-E359 WeakPolarHBondContact CD-O 3.49Å; K298-E359 WeakPolarHBondContact CE-O 3.37Å; K298-E359 PolarHBondContact NZ-O 2.86Å
299	I	91	Very high	90.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-44.2	176.2	-64.3	158.5	0	0	0	110.6	A256 L258 L262 R295 V296 S302 A304 V307 F321 L352 F361	A256-I299 HydrophobicContact CB-CG2 4.47Å; L258-I299 HydrophobicContact CD1-CD1 3.56Å; L258-I299 HydrophobicContact CD1-CG1 4.4Å; L262-I299 HydrophobicContact CD1-CD1 3.9Å; L262-I299 HydrophobicContact CD2-CD1 4.22Å; R295-I299 WeakPolarHBondContact O-CG1 3.35Å; R295-I299 PolarHBondContact O-N 2.7Å; R295-I299 VanDerWaalsContact O-N 3.1Å; V296-I299 PolarHBondContact O-N 3.3Å; V296-I299 VanDerWaalsContact O-N 3.15Å; I299-S302 WeakPolarHBondContact O-CB 3.36Å; I299-S302 PolarHBondContact O-N 3.22Å; I299-S302 PolarHBondContact O-OG 3.2Å; I299-A304 HydrophobicContact CG2-CB 4.11Å; I299-V307 HydrophobicContact CG2-CG1 4.48Å; I299-V307 HydrophobicContact CG2-CG2 3.8Å; I299-F321 HydrophobicContact CG2-CE1 4.5Å; I299-L352 HydrophobicContact CG1-CD2 4.46Å; I299-F361 HydrophobicContact CG1-CD2 4.33Å; I299-F361 HydrophobicContact CG1-CG 4.38Å
300	I	91.6	Very high	90.9	Very high	46 Å²	46	38.3 Å²	38.3	24%	0.236	18%	0.184	C	C	.	.	H	α-helix	trans	-64.9	-42.8	178.2	-65.3	164.8	0	0	0	110.8	V296 E297 S302 G303 F321 A324 V326	V296-I300 HydrophobicContact CG1-CD1 3.61Å; V296-I300 HydrophobicContact CG1-CG1 4.3Å; V296-I300 WeakPolarHBondContact O-CG1 3.4Å; V296-I300 PolarHBondContact O-N 2.89Å; E297-I300 PolarHBondContact O-N 3.45Å; I300-S302 PolarHBondContact O-N 3.4Å; I300-G303 PolarHBondContact O-N 3.12Å; I300-F321 HydrophobicContact CD1-CD1 4.16Å; I300-F321 HydrophobicContact CD1-CE1 4.41Å; I300-F321 HydrophobicContact CG1-CD1 4.12Å; I300-F321 HydrophobicContact CG1-CE1 4.11Å; I300-A324 HydrophobicContact CD1-CB 3.79Å; I300-A324 HydrophobicContact CG1-CB 4.27Å; I300-A324 HydrophobicContact CG2-CB 3.92Å; I300-V326 HydrophobicContact CG1-CG2 4.43Å
301	K	91.8	Very high	91.1	Very high	155 Å²	155	37 Å²	37	67%	0.674	18%	0.18	S	C	*	.	H	α-helix	trans	-61	-26.8	177.7	-79.6	175.4	-177	167.3	0	113.6	E297 K298 G303	E297-K301 HydrophobicContact CG-CD 4.47Å; E297-K301 WeakPolarHBondContact O-CB 3.36Å; E297-K301 VanDerWaalsContact O-CG 3.3Å; E297-K301 WeakPolarHBondContact O-CG 3.31Å; E297-K301 PolarHBondContact O-N 3.39Å; E297-K301 VanDerWaalsContact OE1-CE 3.26Å; E297-K301 WeakPolarHBondContact OE1-CE 3.45Å; E297-K301 IonicContact OE1-NZ 2.73Å; E297-K301 PolarHBondContact OE1-NZ 3.41Å; K298-K301 PolarHBondContact O-N 2.91Å; K301-G303 PolarHBondContact O-N 2.97Å
302	S	89.9	Confident	91.4	Very high	16 Å²	16	35.9 Å²	35.9	11%	0.112	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.4	172.9	79.6	0	0	0	0	113.8	K298 I299 I300 F361 A363	K298-S302 PolarHBondContact O-N 2.84Å; K298-S302 VanDerWaalsContact O-N 3.16Å; I299-S302 WeakPolarHBondContact O-CB 3.36Å; I299-S302 PolarHBondContact O-N 3.22Å; I299-S302 PolarHBondContact O-OG 3.2Å; I300-S302 PolarHBondContact O-N 3.4Å; S302-F361 VanDerWaalsContact CB-O 3.24Å; S302-F361 WeakPolarHBondContact CB-O 3.25Å; S302-F361 WeakPolarHBondContact OG-CD1 3.32Å; S302-A363 WeakPolarHBondContact O-CB 3.29Å
303	G	91.4	Very high	91.7	Very high	35 Å²	35	36.4 Å²	36.4	36%	0.361	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	86	18.2	-176.5	0	0	0	0	0	114	K254 I300 K301 N305	K254-G303 WeakPolarHBondContact CD-O 3.31Å; I300-G303 PolarHBondContact O-N 3.12Å; K301-G303 PolarHBondContact O-N 2.97Å; G303-N305 PolarHBondContact O-N 3.46Å
304	A	93.6	Very high	91.9	Very high	4 Å²	4	32.8 Å²	32.8	3%	0.033	17%	0.171	C	C	.	.			trans	-64	128.2	171.9	0	0	0	0	0	110.5	A256 I299 V307 V326 L366	A256-A304 HydrophobicContact CB-CB 4.19Å; I299-A304 HydrophobicContact CG2-CB 4.11Å; A304-V307 HydrophobicContact CB-CG2 4.22Å; A304-V326 WeakPolarHBondContact O-CG2 3.49Å; A304-L366 HydrophobicContact CB-CD1 4.36Å; A304-L366 HydrophobicContact CB-CD2 3.74Å
305	N	95	Very high	92	Very high	35 Å²	35	33.2 Å²	33.2	19%	0.187	18%	0.183	C	C	.	.	S	Bend	trans	-106.5	-16	173.7	61.7	8	0	0	0	112.6	V250 N252 A253 K254 G303 V326 M327	V250-N305 HydrophobicContact CG1-CB 4.02Å; V250-N305 WeakPolarHBondContact CG1-ND2 3.08Å; N252-N305 PolarHBondContact O-ND2 3.4Å; A253-N305 VanDerWaalsContact CA-OD1 3.32Å; A253-N305 WeakPolarHBondContact CA-OD1 3.29Å; K254-N305 WeakPolarHBondContact CA-OD1 3.43Å; K254-N305 PolarHBondContact N-ND2 3.08Å; K254-N305 PolarHBondContact N-OD1 2.65Å; K254-N305 PolarHBondContact O-N 3.36Å; K254-N305 VanDerWaalsContact O-N 3.12Å; K254-N305 PolarHBondContact O-OD1 3.49Å; G303-N305 PolarHBondContact O-N 3.46Å; N305-V326 WeakPolarHBondContact O-CG1 3.28Å; N305-M327 PolarHBondContact O-N 3.18Å
306	V	96.2	Very high	92.1	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.1	173.2	179.8	0	0	0	0	108.9	V250 A253 K254 I255 A256 L308 M327 V372	V250-V306 HydrophobicContact CB-CG2 4.13Å; V250-V306 HydrophobicContact CG1-CG2 4Å; V250-V306 HydrophobicContact CG2-CG2 4.31Å; A253-V306 HydrophobicContact CB-CG2 3.97Å; K254-V306 PolarHBondContact O-N 2.86Å; I255-V306 CarbonylContact C-O 3.51Å; I255-V306 WeakPolarHBondContact CA-O 3.35Å; I255-V306 HydrophobicContact CG1-CB 3.99Å; I255-V306 HydrophobicContact CG1-CG1 4.24Å; I255-V306 HydrophobicContact CG2-CG1 4.5Å; A256-V306 PolarHBondContact N-O 3.45Å; V306-L308 HydrophobicContact CG1-CD2 4.15Å; V306-L308 HydrophobicContact CG1-CG 4.39Å; V306-M327 CarbonylContact C-O 3.1Å; V306-M327 VanDerWaalsContact CA-O 3.32Å; V306-M327 WeakPolarHBondContact CA-O 3.28Å; V306-M327 HydrophobicContact CG2-CB 4.29Å; V306-V372 HydrophobicContact CG1-CG1 4.27Å; V306-V372 HydrophobicContact CG1-CG2 4.5Å; V306-V372 HydrophobicContact CG2-CB 3.99Å; V306-V372 HydrophobicContact CG2-CG1 4.31Å; V306-V372 HydrophobicContact CG2-CG2 4.04Å
307	V	95.7	Very high	92.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	118	-179	-177.1	0	0	0	0	109.3	A256 L258 I299 A304 V309 F321 V326 M327 A328 V329	A256-V307 HydrophobicContact CB-CG1 4.46Å; A256-V307 HydrophobicContact CB-CG2 4.31Å; L258-V307 HydrophobicContact CD1-CG1 3.79Å; I299-V307 HydrophobicContact CG2-CG1 4.48Å; I299-V307 HydrophobicContact CG2-CG2 3.8Å; A304-V307 HydrophobicContact CB-CG2 4.22Å; V307-V309 HydrophobicContact CG1-CG2 3.71Å; V307-F321 HydrophobicContact CB-CE1 4.43Å; V307-F321 HydrophobicContact CG1-CZ 4.23Å; V307-F321 HydrophobicContact CG2-CE1 3.89Å; V307-F321 HydrophobicContact CG2-CZ 4.37Å; V307-V326 HydrophobicContact CG2-CG1 3.72Å; V307-M327 PolarHBondContact N-O 3.12Å; V307-A328 HydrophobicContact CB-CB 4.5Å; V307-A328 CarbonylContact O-C 3.41Å; V307-A328 WeakPolarHBondContact O-CA 3.37Å; V307-V329 PolarHBondContact O-N 2.91Å
308	L	96.2	Very high	92.3	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.3	178.3	-54.9	178.5	0	0	0	109.5	I255 A256 L258 V306 V329 L337 I340 I385	I255-L308 HydrophobicContact CG2-CD1 3.82Å; I255-L308 HydrophobicContact CG2-CG 4.1Å; A256-L308 PolarHBondContact O-N 3.02Å; L258-L308 PolarHBondContact N-O 3.41Å; V306-L308 HydrophobicContact CG1-CD2 4.15Å; V306-L308 HydrophobicContact CG1-CG 4.39Å; L308-V329 HydrophobicContact CD2-CB 3.66Å; L308-V329 HydrophobicContact CD2-CG1 4.47Å; L308-V329 HydrophobicContact CD2-CG2 3.64Å; L308-L337 HydrophobicContact CB-CD2 3.46Å; L308-L337 VanDerWaalsContact CB-CD2 3.46Å; L308-L337 HydrophobicContact CD1-CD2 4.22Å; L308-I340 HydrophobicContact CD1-CD1 3.89Å; L308-I340 HydrophobicContact CD1-CG2 3.86Å; L308-I385 HydrophobicContact CD1-CD1 3.99Å
309	V	95	Very high	92.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.3	-172.4	-170.2	0	0	0	0	110.4	L258 L260 L262 V307 L313 V329 R330 R331 C332	L258-V309 HydrophobicContact CB-CG2 4.32Å; L258-V309 HydrophobicContact CD1-CG2 4.19Å; L258-V309 WeakPolarHBondContact O-CA 3.3Å; L260-V309 WeakPolarHBondContact O-CG1 3.37Å; L262-V309 HydrophobicContact CD1-CG2 4.33Å; V307-V309 HydrophobicContact CG1-CG2 3.71Å; V309-L313 HydrophobicContact CB-CD2 4.3Å; V309-L313 HydrophobicContact CG1-CD2 4.28Å; V309-L313 HydrophobicContact CG2-CD2 3.96Å; V309-V329 PolarHBondContact N-O 3.32Å; V309-R330 CarbonylContact O-C 3.56Å; V309-R331 PolarHBondContact O-N 3.38Å; V309-C332 PolarHBondContact O-N 3.41Å
310	S	94.1	Very high	92.6	Very high	27 Å²	27	38 Å²	38	19%	0.189	21%	0.209	C	C	.	.	S	Bend	trans	-73.1	-31.9	176	70.9	0	0	0	0	112.9	L258 N259 L260 R331 C332	L258-S310 PolarHBondContact O-N 2.99Å; N259-S310 VanDerWaalsContact CA-OG 3.29Å; N259-S310 WeakPolarHBondContact CA-OG 3.37Å; N259-S310 WeakPolarHBondContact OD1-CB 3.36Å; N259-S310 PolarHBondContact OD1-OG 2.93Å; L260-S310 PolarHBondContact N-OG 2.84Å; S310-R331 WeakPolarHBondContact O-CA 3.26Å; S310-C332 VanDerWaalsContact CA-O 3.31Å; S310-C332 WeakPolarHBondContact CA-O 3.28Å
311	G	90.5	Very high	92.7	Very high	11 Å²	11	35.9 Å²	35.9	11%	0.113	20%	0.198	C	C	.	.	S	Bend	trans	-86	-169.4	178.5	0	0	0	0	0	114.3	L260 S261 R331	L260-G311 WeakPolarHBondContact O-CA 3.44Å; L260-G311 PolarHBondContact O-N 2.91Å; L260-G311 VanDerWaalsContact O-N 3.13Å; S261-G311 WeakPolarHBondContact OG-CA 3.48Å; G311-R331 PolarHBondContact O-N 2.97Å
312	G	89.8	Confident	92.9	Very high	23 Å²	23	30.7 Å²	30.7	24%	0.237	18%	0.179	C	C	.	.			trans	-81.1	157.6	171.2	0	0	0	0	0	112.4	S261 L262	S261-G312 PolarHBondContact OG-N 3.48Å; L262-G312 PolarHBondContact N-O 3.39Å
313	L	91.5	Very high	93.1	Very high	13 Å²	13	35.4 Å²	35.4	7%	0.068	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-111.6	132.8	168.2	-62.6	178	0	0	0	108.3	A242 L262 V309 V318 F321 A328 R330	A242-L313 HydrophobicContact CB-CD1 3.74Å; L262-L313 HydrophobicContact CB-CD2 3.64Å; L262-L313 HydrophobicContact CD1-CD2 3.78Å; L262-L313 HydrophobicContact CG-CD2 4.07Å; L262-L313 CarbonylContact O-C 3.5Å; L262-L313 WeakPolarHBondContact O-CA 2.89Å; V309-L313 HydrophobicContact CB-CD2 4.3Å; V309-L313 HydrophobicContact CG1-CD2 4.28Å; V309-L313 HydrophobicContact CG2-CD2 3.96Å; L313-V318 HydrophobicContact CB-CG2 3.73Å; L313-V318 HydrophobicContact CD1-CG2 4.37Å; L313-F321 HydrophobicContact CD2-CE2 4.35Å; L313-A328 HydrophobicContact CD1-CB 3.83Å; L313-R330 HydrophobicContact CD1-CB 4.05Å; L313-R330 HydrophobicContact CG-CB 3.96Å
314	S	90.9	Very high	93.2	Very high	18 Å²	18	36 Å²	36	13%	0.126	21%	0.209	C	C	.	.			trans	-78	153.3	169.4	67.5	0	0	0	0	111.3	L262 L316 C317 V318	L262-S314 PolarHBondContact O-N 3.33Å; S314-L316 PolarHBondContact O-N 2.69Å; S314-C317 WeakPolarHBondContact O-CA 3.47Å; S314-C317 WeakPolarHBondContact O-CB 3.44Å; S314-C317 PolarHBondContact O-N 3.24Å; S314-C317 PolarHBondContact OG-SG 3.21Å; S314-V318 WeakPolarHBondContact O-CG2 3.36Å; S314-V318 PolarHBondContact O-N 2.84Å
315	D	90.3	Very high	93.2	Very high	132 Å²	132	37.9 Å²	37.9	71%	0.706	23%	0.229	S	C	*	.	H	α-helix	trans	-60.5	-32.8	-175.9	-61.6	-21.2	0	0	0	112.7	V318 K319	D315-V318 PolarHBondContact O-N 2.82Å; D315-K319 WeakPolarHBondContact O-CB 3.27Å; D315-K319 PolarHBondContact O-N 3.47Å
316	L	89.7	Confident	93.2	Very high	80 Å²	80	36.5 Å²	36.5	42%	0.419	22%	0.222	S	C	.	.	H	α-helix	trans	-61.9	-42.1	172.8	-71.4	172	0	0	0	112.2	A289 S314 Q320	A289-L316 HydrophobicContact CB-CD1 3.95Å; S314-L316 PolarHBondContact O-N 2.69Å; L316-Q320 PolarHBondContact O-N 3.15Å
317	C	91.4	Very high	93.2	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.014	22%	0.222	C	C	.	.	H	α-helix	trans	-69.4	-42.7	176.5	-63.7	0	0	0	0	110.9	V296 S314 K319 Q320 F321	V296-C317 HydrophobicContact CG2-CB 3.74Å; S314-C317 WeakPolarHBondContact O-CA 3.47Å; S314-C317 WeakPolarHBondContact O-CB 3.44Å; S314-C317 PolarHBondContact O-N 3.24Å; S314-C317 PolarHBondContact OG-SG 3.21Å; C317-K319 VanDerWaalsContact C-N 3.31Å; C317-K319 PolarHBondContact O-N 3.22Å; C317-Q320 PolarHBondContact O-N 3.07Å; C317-Q320 VanDerWaalsContact O-N 3.16Å; C317-F321 VanDerWaalsContact O-CD2 3.26Å; C317-F321 WeakPolarHBondContact O-CD2 3.36Å; C317-F321 PolarHBondContact O-N 2.98Å; C317-F321 VanDerWaalsContact O-N 3.15Å
318	V	93.4	Very high	93.1	Very high	12 Å²	12	36.5 Å²	36.5	7%	0.073	22%	0.222	C	C	.	.	H	α-helix	trans	-57	-45.8	175.9	173.4	0	0	0	0	110.6	A242 M246 L313 S314 D315 Q320 F321 V322	A242-V318 HydrophobicContact CB-CG1 4.39Å; A242-V318 HydrophobicContact CB-CG2 3.94Å; M246-V318 HydrophobicContact CE-CG1 3.76Å; L313-V318 HydrophobicContact CB-CG2 3.73Å; L313-V318 HydrophobicContact CD1-CG2 4.37Å; S314-V318 WeakPolarHBondContact O-CG2 3.36Å; S314-V318 PolarHBondContact O-N 2.84Å; D315-V318 PolarHBondContact O-N 2.82Å; V318-Q320 VanDerWaalsContact C-N 3.29Å; V318-Q320 PolarHBondContact O-N 3.44Å; V318-F321 PolarHBondContact O-N 3.5Å; V318-V322 HydrophobicContact CG1-CG2 4.45Å; V318-V322 WeakPolarHBondContact O-CG2 3.42Å; V318-V322 PolarHBondContact O-N 2.63Å
319	K	93.5	Very high	93.1	Very high	145 Å²	145	36.5 Å²	36.5	63%	0.63	22%	0.222	S	C	*	.	H	α-helix	trans	-56.9	-41.2	177.2	-176.3	178.3	179.3	178.1	0	112.2	D315 C317 V322 T323	D315-K319 WeakPolarHBondContact O-CB 3.27Å; D315-K319 PolarHBondContact O-N 3.47Å; C317-K319 VanDerWaalsContact C-N 3.31Å; C317-K319 PolarHBondContact O-N 3.22Å; K319-V322 PolarHBondContact O-N 3.04Å; K319-T323 PolarHBondContact O-N 2.84Å; K319-T323 PolarHBondContact O-OG1 3.04Å
320	Q	92.8	Very high	93	Very high	45 Å²	45	41 Å²	41	21%	0.21	24%	0.238	C	C	.	.	H	α-helix	trans	-66.6	-41.7	178	-73.2	-166.8	-56.4	0	0	113	R293 V296 L316 C317 V318 V322 T323 A324	R293-Q320 HydrophobicContact CG-CG 4.5Å; R293-Q320 PolarHBondContact O-OE1 3.32Å; V296-Q320 HydrophobicContact CG1-CB 3.83Å; L316-Q320 PolarHBondContact O-N 3.15Å; C317-Q320 PolarHBondContact O-N 3.07Å; C317-Q320 VanDerWaalsContact O-N 3.16Å; V318-Q320 VanDerWaalsContact C-N 3.29Å; V318-Q320 PolarHBondContact O-N 3.44Å; Q320-V322 VanDerWaalsContact C-N 3.31Å; Q320-V322 PolarHBondContact O-N 2.94Å; Q320-T323 PolarHBondContact O-N 3.42Å; Q320-A324 WeakPolarHBondContact O-CB 3.1Å; Q320-A324 PolarHBondContact O-N 3.33Å
321	F	94.9	Very high	92.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62	-40.9	174.8	-72	-56.7	0	0	0	111.6	M246 L262 V296 I299 I300 V307 L313 C317 V318 A324 G325 V326 A328	M246-F321 HydrophobicContact CE-CB 3.81Å; L262-F321 HydrophobicContact CD1-CE2 4.02Å; L262-F321 HydrophobicContact CD1-CZ 3.92Å; V296-F321 HydrophobicContact CB-CZ 4.26Å; V296-F321 HydrophobicContact CG1-CD1 4.07Å; V296-F321 HydrophobicContact CG1-CD2 4.31Å; V296-F321 HydrophobicContact CG1-CE1 3.72Å; V296-F321 HydrophobicContact CG1-CE2 3.99Å; V296-F321 HydrophobicContact CG1-CG 4.36Å; V296-F321 HydrophobicContact CG1-CZ 3.68Å; V296-F321 HydrophobicContact CG2-CE2 3.9Å; V296-F321 HydrophobicContact CG2-CZ 3.9Å; I299-F321 HydrophobicContact CG2-CE1 4.5Å; I300-F321 HydrophobicContact CD1-CD1 4.16Å; I300-F321 HydrophobicContact CD1-CE1 4.41Å; I300-F321 HydrophobicContact CG1-CD1 4.12Å; I300-F321 HydrophobicContact CG1-CE1 4.11Å; V307-F321 HydrophobicContact CB-CE1 4.43Å; V307-F321 HydrophobicContact CG1-CZ 4.23Å; V307-F321 HydrophobicContact CG2-CE1 3.89Å; V307-F321 HydrophobicContact CG2-CZ 4.37Å; L313-F321 HydrophobicContact CD2-CE2 4.35Å; C317-F321 VanDerWaalsContact O-CD2 3.26Å; C317-F321 WeakPolarHBondContact O-CD2 3.36Å; C317-F321 PolarHBondContact O-N 2.98Å; C317-F321 VanDerWaalsContact O-N 3.15Å; V318-F321 PolarHBondContact O-N 3.5Å; F321-A324 PolarHBondContact O-N 3.27Å; F321-G325 PolarHBondContact O-N 2.98Å; F321-G325 VanDerWaalsContact O-N 3.09Å; F321-V326 HydrophobicContact CB-CB 4.41Å; F321-V326 HydrophobicContact CD1-CB 3.98Å; F321-V326 HydrophobicContact CD1-CG1 3.78Å; F321-V326 HydrophobicContact CE1-CG1 4.33Å; F321-V326 PolarHBondContact O-N 3.49Å; F321-A328 HydrophobicContact CB-CB 4.23Å; F321-A328 HydrophobicContact CD2-CB 3.82Å; F321-A328 HydrophobicContact CE2-CB 4.31Å; F321-A328 HydrophobicContact CG-CB 4Å
322	V	94.9	Very high	93.1	Very high	47 Å²	47	48.5 Å²	48.5	29%	0.285	26%	0.259	S	S	.	.	H	α-helix	trans	-60.6	-50.7	174.5	172.3	0	0	0	0	111.2	M246 V318 K319 Q320 A324 G325	M246-V322 HydrophobicContact CE-CG2 3.85Å; M246-V322 HydrophobicContact CG-CG2 3.74Å; V318-V322 HydrophobicContact CG1-CG2 4.45Å; V318-V322 WeakPolarHBondContact O-CG2 3.42Å; V318-V322 PolarHBondContact O-N 2.63Å; K319-V322 PolarHBondContact O-N 3.04Å; Q320-V322 VanDerWaalsContact C-N 3.31Å; Q320-V322 PolarHBondContact O-N 2.94Å; V322-A324 PolarHBondContact O-N 3.33Å; V322-G325 PolarHBondContact O-N 3.47Å
323	T	94.2	Very high	93.2	Very high	115 Å²	115	54.7 Å²	54.7	71%	0.706	28%	0.28	S	S	*	.	H	α-helix	trans	-61	-33.5	179.1	-54.7	0	0	0	0	112.4	K319 Q320 G325	K319-T323 PolarHBondContact O-N 2.84Å; K319-T323 PolarHBondContact O-OG1 3.04Å; Q320-T323 PolarHBondContact O-N 3.42Å; T323-G325 VanDerWaalsContact C-N 3.3Å
324	A	93.6	Very high	93.3	Very high	48 Å²	48	56.7 Å²	56.7	40%	0.397	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-5.4	177.4	0	0	0	0	0	113.9	I300 Q320 F321 V322 V326	I300-A324 HydrophobicContact CD1-CB 3.79Å; I300-A324 HydrophobicContact CG1-CB 4.27Å; I300-A324 HydrophobicContact CG2-CB 3.92Å; Q320-A324 WeakPolarHBondContact O-CB 3.1Å; Q320-A324 PolarHBondContact O-N 3.33Å; F321-A324 PolarHBondContact O-N 3.27Å; V322-A324 PolarHBondContact O-N 3.33Å; A324-V326 VanDerWaalsContact C-N 3.32Å; A324-V326 HydrophobicContact CB-CG2 3.96Å
325	G	93.3	Very high	93.4	Very high	43 Å²	43	58.4 Å²	58.4	44%	0.443	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	30.3	-176	0	0	0	0	0	113.7	F321 V322 T323	F321-G325 PolarHBondContact O-N 2.98Å; F321-G325 VanDerWaalsContact O-N 3.09Å; V322-G325 PolarHBondContact O-N 3.47Å; T323-G325 VanDerWaalsContact C-N 3.3Å
326	V	95	Very high	93.5	Very high	6 Å²	6	52.7 Å²	52.7	4%	0.036	28%	0.277	C	S	.	.			trans	-101	130.9	-178.7	175.8	0	0	0	0	109.8	I300 A304 N305 V307 F321 A324 A328	I300-V326 HydrophobicContact CG1-CG2 4.43Å; A304-V326 WeakPolarHBondContact O-CG2 3.49Å; N305-V326 WeakPolarHBondContact O-CG1 3.28Å; V307-V326 HydrophobicContact CG2-CG1 3.72Å; F321-V326 HydrophobicContact CB-CB 4.41Å; F321-V326 HydrophobicContact CD1-CB 3.98Å; F321-V326 HydrophobicContact CD1-CG1 3.78Å; F321-V326 HydrophobicContact CE1-CG1 4.33Å; F321-V326 PolarHBondContact O-N 3.49Å; A324-V326 VanDerWaalsContact C-N 3.32Å; A324-V326 HydrophobicContact CB-CG2 3.96Å; V326-A328 PolarHBondContact O-N 2.94Å
327	M	95.7	Very high	93.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	120.3	174.1	-171.6	-170.7	-162.4	0	0	109.5	M241 P247 V250 N305 V306 V307 V372 Q374 V383	M241-M327 HydrophobicContact CG-CE 3.55Å; M241-M327 HydrophobicContact CG-CG 3.91Å; M241-M327 HydrophobicContact SD-CE 3.57Å; M241-M327 VanDerWaalsContact SD-CE 3.57Å; M241-M327 HydrophobicContact SD-CG 3.85Å; M241-M327 HydrophobicContact SD-SD 4.5Å; P247-M327 HydrophobicContact CG-CB 4.42Å; V250-M327 HydrophobicContact CG2-CB 3.99Å; V250-M327 HydrophobicContact CG2-SD 4.41Å; N305-M327 PolarHBondContact O-N 3.18Å; V306-M327 CarbonylContact C-O 3.1Å; V306-M327 VanDerWaalsContact CA-O 3.32Å; V306-M327 WeakPolarHBondContact CA-O 3.28Å; V306-M327 HydrophobicContact CG2-CB 4.29Å; V307-M327 PolarHBondContact N-O 3.12Å; M327-V372 HydrophobicContact CE-CG1 4.32Å; M327-V372 HydrophobicContact SD-CB 4.49Å; M327-V372 HydrophobicContact SD-CG1 3.64Å; M327-Q374 HydrophobicContact CE-CB 3.92Å; M327-V383 HydrophobicContact CE-CG1 4.16Å; M327-V383 HydrophobicContact CE-CG2 4.05Å
328	A	95.5	Very high	93.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.2	177.2	0	0	0	0	0	111.6	A242 M246 V307 L313 F321 V326	A242-A328 WeakPolarHBondContact CB-O 3.19Å; A242-A328 PolarHBondContact N-O 2.78Å; M246-A328 HydrophobicContact CE-CB 3.81Å; M246-A328 HydrophobicContact SD-CB 3.92Å; M246-A328 PolarHBondContact SD-N 3.49Å; V307-A328 HydrophobicContact CB-CB 4.5Å; V307-A328 CarbonylContact O-C 3.41Å; V307-A328 WeakPolarHBondContact O-CA 3.37Å; L313-A328 HydrophobicContact CD1-CB 3.83Å; F321-A328 HydrophobicContact CB-CB 4.23Å; F321-A328 HydrophobicContact CD2-CB 3.82Å; F321-A328 HydrophobicContact CE2-CB 4.31Å; F321-A328 HydrophobicContact CG-CB 4Å; V326-A328 PolarHBondContact O-N 2.94Å
329	V	94.8	Very high	93.7	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.5	177.5	-172.3	0	0	0	0	108.8	L237 C239 V307 L308 V309 C332 V383	L237-V329 HydrophobicContact CD2-CG1 3.88Å; C239-V329 HydrophobicContact CB-CG1 3.53Å; V307-V329 PolarHBondContact O-N 2.91Å; L308-V329 HydrophobicContact CD2-CB 3.66Å; L308-V329 HydrophobicContact CD2-CG1 4.47Å; L308-V329 HydrophobicContact CD2-CG2 3.64Å; V309-V329 PolarHBondContact N-O 3.32Å; V329-C332 VanDerWaalsContact CG1-SG 3.59Å; V329-V383 HydrophobicContact CG2-CG2 4.23Å
330	R	93.2	Very high	93.7	Very high	94 Å²	94	50.4 Å²	50.4	36%	0.355	26%	0.261	S	S	.	.			trans	-107.8	158.5	-176.9	64.8	-176.9	178.8	-176.7	-2.2	111.5	A242 V309 L313 C332	A242-R330 HydrophobicContact CB-CG 4.42Å; V309-R330 CarbonylContact O-C 3.56Å; L313-R330 HydrophobicContact CD1-CB 4.05Å; L313-R330 HydrophobicContact CG-CB 3.96Å; R330-C332 VanDerWaalsContact C-N 3.27Å; R330-C332 PolarHBondContact O-N 3.44Å
331	R	91.9	Very high	93.7	Very high	192 Å²	192	48.6 Å²	48.6	73%	0.725	25%	0.253	S	S	*	.	S	Bend	trans	57.6	33.6	174.5	-57.8	-174.1	180	-162.6	1.7	114.7	V309 S310 G311	V309-R331 PolarHBondContact O-N 3.38Å; S310-R331 WeakPolarHBondContact O-CA 3.26Å; G311-R331 PolarHBondContact O-N 2.97Å
332	C	94.1	Very high	93.6	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.02	29%	0.285	C	S	.	.			trans	-66.1	138.9	174.8	-58.5	0	0	0	0	110.5	V309 S310 V329 R330 V334 L337	V309-C332 PolarHBondContact O-N 3.41Å; S310-C332 VanDerWaalsContact CA-O 3.31Å; S310-C332 WeakPolarHBondContact CA-O 3.28Å; V329-C332 VanDerWaalsContact CG1-SG 3.59Å; R330-C332 VanDerWaalsContact C-N 3.27Å; R330-C332 PolarHBondContact O-N 3.44Å; C332-V334 PolarHBondContact O-N 2.9Å; C332-L337 HydrophobicContact CB-CD1 4.02Å; C332-L337 HydrophobicContact CB-CD2 3.66Å; C332-L337 HydrophobicContact CB-CG 3.74Å
333	K	93.5	Very high	93.4	Very high	154 Å²	154	53.8 Å²	53.8	67%	0.67	27%	0.273	S	S	*	.			trans	-61.6	134.6	173.3	-68.4	177.9	-179.6	172.4	0	109.8	A335 D336 L337	K333-A335 PolarHBondContact O-N 3.48Å; K333-D336 HydrophobicContact CB-CB 4.37Å; K333-D336 WeakPolarHBondContact CB-OD2 3.36Å; K333-D336 WeakPolarHBondContact O-CB 3.21Å; K333-D336 PolarHBondContact O-N 2.86Å; K333-L337 PolarHBondContact O-N 3.14Å
334	V	93.8	Very high	93.3	Very high	55 Å²	55	48.5 Å²	48.5	33%	0.333	24%	0.24	S	C	.	.	H	α-helix	trans	-60.2	-34.4	-178.9	-177.9	0	0	0	0	111.8	N259 C332 D336 L337 K338	N259-V334 WeakPolarHBondContact OD1-CG2 3.36Å; C332-V334 PolarHBondContact O-N 2.9Å; V334-D336 VanDerWaalsContact C-N 3.33Å; V334-D336 PolarHBondContact O-N 3.36Å; V334-L337 PolarHBondContact O-N 3.36Å; V334-K338 WeakPolarHBondContact O-CG 3.28Å; V334-K338 PolarHBondContact O-N 3.3Å; V334-K338 VanDerWaalsContact O-N 3.08Å
335	A	92.3	Very high	93.2	Very high	53 Å²	53	48.2 Å²	48.2	44%	0.438	24%	0.242	S	C	.	.	H	α-helix	trans	-62.4	-40.1	175.5	0	0	0	0	0	112.1	K333 K338 R339	K333-A335 PolarHBondContact O-N 3.48Å; A335-K338 PolarHBondContact O-N 3.47Å; A335-R339 WeakPolarHBondContact O-CG 3.19Å; A335-R339 PolarHBondContact O-N 2.8Å
336	D	93.2	Very high	93.2	Very high	12 Å²	12	46.6 Å²	46.6	6%	0.064	23%	0.225	C	C	.	.	H	α-helix	trans	-71.3	-43.2	179	-62.7	-26	0	0	0	111	Y235 L237 K333 V334 K338 R339 I340	Y235-D336 HydrophobicContact CE1-CB 3.98Å; Y235-D336 VanDerWaalsContact OH-CG 3.31Å; Y235-D336 PolarHBondContact OH-OD1 3.41Å; L237-D336 HydrophobicContact CD1-CB 3.79Å; K333-D336 HydrophobicContact CB-CB 4.37Å; K333-D336 WeakPolarHBondContact CB-OD2 3.36Å; K333-D336 WeakPolarHBondContact O-CB 3.21Å; K333-D336 PolarHBondContact O-N 2.86Å; V334-D336 VanDerWaalsContact C-N 3.33Å; V334-D336 PolarHBondContact O-N 3.36Å; D336-K338 VanDerWaalsContact C-N 3.26Å; D336-K338 PolarHBondContact O-N 3.47Å; D336-R339 WeakPolarHBondContact O-CA 3.28Å; D336-R339 WeakPolarHBondContact O-CB 3.46Å; D336-R339 PolarHBondContact O-N 2.84Å; D336-R339 IonicContact OD1-CZ 3.92Å; D336-R339 IonicContact OD1-NH1 2.87Å; D336-R339 PolarHBondContact OD1-NH1 3.43Å; D336-I340 WeakPolarHBondContact O-CG1 3.26Å; D336-I340 PolarHBondContact O-N 3.15Å
337	L	94	Very high	93.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57.4	-39.8	174.2	-67.9	177.4	0	0	0	112.3	L308 C332 K333 V334 R339 A341 L348	L308-L337 HydrophobicContact CB-CD2 3.46Å; L308-L337 VanDerWaalsContact CB-CD2 3.46Å; L308-L337 HydrophobicContact CD1-CD2 4.22Å; C332-L337 HydrophobicContact CB-CD1 4.02Å; C332-L337 HydrophobicContact CB-CD2 3.66Å; C332-L337 HydrophobicContact CB-CG 3.74Å; K333-L337 PolarHBondContact O-N 3.14Å; V334-L337 PolarHBondContact O-N 3.36Å; L337-R339 VanDerWaalsContact C-N 3.31Å; L337-R339 PolarHBondContact O-N 3.11Å; L337-A341 WeakPolarHBondContact O-CB 3.34Å; L337-A341 PolarHBondContact O-N 3.42Å; L337-L348 HydrophobicContact CB-CD1 3.88Å; L337-L348 HydrophobicContact CD1-CD1 4.34Å
338	K	93	Very high	93	Very high	120 Å²	120	51.9 Å²	51.9	52%	0.522	26%	0.255	S	S	.	.	H	α-helix	trans	-63.1	-36.5	174.9	-75.6	178.2	178.9	179.6	0	112.4	V334 A335 D336 K342 L348	V334-K338 WeakPolarHBondContact O-CG 3.28Å; V334-K338 PolarHBondContact O-N 3.3Å; V334-K338 VanDerWaalsContact O-N 3.08Å; A335-K338 PolarHBondContact O-N 3.47Å; D336-K338 VanDerWaalsContact C-N 3.26Å; D336-K338 PolarHBondContact O-N 3.47Å; K338-K342 WeakPolarHBondContact O-CG 2.86Å; K338-K342 PolarHBondContact O-N 3.33Å; K338-L348 HydrophobicContact CD-CD2 4.41Å; K338-L348 HydrophobicContact CG-CD2 3.5Å; K338-L348 VanDerWaalsContact CG-CD2 3.5Å
339	R	90.9	Very high	92.8	Very high	71 Å²	71	52.7 Å²	52.7	27%	0.268	26%	0.259	S	S	.	.	H	α-helix	trans	-73.1	-46.1	178.6	-67.8	161.6	177	155.1	-14.1	111	K214 Y235 A335 D336 L337 A341 K342 A343	K214-R339 PolarHBondContact O-NE 3.38Å; K214-R339 PolarHBondContact O-NH2 3.02Å; Y235-R339 HydrophobicContact CE2-CB 3.78Å; Y235-R339 HydrophobicContact CE2-CG 4.49Å; Y235-R339 WeakPolarHBondContact OH-CD 3.34Å; Y235-R339 PolarHBondContact OH-NH1 3.5Å; A335-R339 WeakPolarHBondContact O-CG 3.19Å; A335-R339 PolarHBondContact O-N 2.8Å; D336-R339 WeakPolarHBondContact O-CA 3.28Å; D336-R339 WeakPolarHBondContact O-CB 3.46Å; D336-R339 PolarHBondContact O-N 2.84Å; D336-R339 IonicContact OD1-CZ 3.92Å; D336-R339 IonicContact OD1-NH1 2.87Å; D336-R339 PolarHBondContact OD1-NH1 3.43Å; L337-R339 VanDerWaalsContact C-N 3.31Å; L337-R339 PolarHBondContact O-N 3.11Å; R339-A341 PolarHBondContact O-N 2.98Å; R339-K342 PolarHBondContact O-N 3.42Å; R339-A343 PolarHBondContact O-N 2.97Å
340	I	93.4	Very high	92.4	Very high	1 Å²	1	57 Å²	57	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-60.3	-47.2	177	-65.4	165.7	0	0	0	110	Y235 L237 L308 D336 K342 A343 T344 I385	Y235-I340 HydrophobicContact CD1-CD1 3.62Å; Y235-I340 HydrophobicContact CD1-CG1 3.41Å; Y235-I340 VanDerWaalsContact CD1-CG1 3.41Å; Y235-I340 HydrophobicContact CD2-CG1 4.39Å; Y235-I340 HydrophobicContact CE1-CD1 3.87Å; Y235-I340 HydrophobicContact CE1-CG1 3.81Å; Y235-I340 HydrophobicContact CG-CD1 4.41Å; Y235-I340 HydrophobicContact CG-CG1 3.73Å; L237-I340 HydrophobicContact CD1-CD1 3.88Å; L308-I340 HydrophobicContact CD1-CD1 3.89Å; L308-I340 HydrophobicContact CD1-CG2 3.86Å; D336-I340 WeakPolarHBondContact O-CG1 3.26Å; D336-I340 PolarHBondContact O-N 3.15Å; I340-K342 VanDerWaalsContact C-N 3.29Å; I340-K342 PolarHBondContact O-N 2.9Å; I340-A343 PolarHBondContact O-N 3.12Å; I340-T344 HydrophobicContact CG2-CG2 3.98Å; I340-T344 WeakPolarHBondContact O-CG2 3.41Å; I340-T344 PolarHBondContact O-N 3.22Å; I340-T344 PolarHBondContact O-OG1 2.89Å; I340-I385 HydrophobicContact CB-CD1 4.46Å; I340-I385 HydrophobicContact CD1-CD1 3.8Å; I340-I385 HydrophobicContact CG1-CD1 4.02Å; I340-I385 HydrophobicContact CG2-CD1 3.59Å
341	A	93.6	Very high	91.8	Very high	6 Å²	6	55.7 Å²	55.7	5%	0.05	29%	0.294	C	S	.	.	H	α-helix	trans	-55.2	-44.2	176.8	0	0	0	0	0	112	C257 L337 R339 G345 A346 L348	C257-A341 HydrophobicContact CB-CB 4.26Å; L337-A341 WeakPolarHBondContact O-CB 3.34Å; L337-A341 PolarHBondContact O-N 3.42Å; R339-A341 PolarHBondContact O-N 2.98Å; A341-G345 CarbonylContact O-C 3.59Å; A341-G345 WeakPolarHBondContact O-CA 3.24Å; A341-G345 PolarHBondContact O-N 3.35Å; A341-A346 CarbonylContact C-O 3.55Å; A341-A346 HydrophobicContact CB-CB 4.3Å; A341-A346 WeakPolarHBondContact CB-O 3.34Å; A341-A346 PolarHBondContact O-N 3.32Å; A341-L348 HydrophobicContact CB-CB 4.45Å
342	K	91.1	Very high	91	Very high	152 Å²	152	47 Å²	47	66%	0.661	26%	0.262	S	S	*	.	H	α-helix	trans	-66.8	-35.2	174.9	-72.6	179.4	-179.5	-171.7	0	113.7	K338 R339 I340	K338-K342 WeakPolarHBondContact O-CG 2.86Å; K338-K342 PolarHBondContact O-N 3.33Å; R339-K342 PolarHBondContact O-N 3.42Å; I340-K342 VanDerWaalsContact C-N 3.29Å; I340-K342 PolarHBondContact O-N 2.9Å
343	A	90.7	Very high	89.7	Confident	4 Å²	4	50.9 Å²	50.9	3%	0.033	29%	0.286	C	S	.	.	H	α-helix	trans	-70.9	-46.2	179.1	0	0	0	0	0	111.4	R339 I340 P388 A390 R391 A393	R339-A343 PolarHBondContact O-N 2.97Å; I340-A343 PolarHBondContact O-N 3.12Å; A343-P388 HydrophobicContact CB-CB 3.92Å; A343-P388 HydrophobicContact CB-CG 4.18Å; A343-P388 WeakPolarHBondContact O-CB 3.49Å; A343-A390 WeakPolarHBondContact O-CA 3.5Å; A343-A390 WeakPolarHBondContact O-CB 3.34Å; A343-A390 PolarHBondContact O-N 3.43Å; A343-A390 VanDerWaalsContact O-N 3.09Å; A343-R391 WeakPolarHBondContact CA-O 3.38Å; A343-R391 PolarHBondContact O-N 3.36Å; A343-A393 HydrophobicContact CB-CB 3.98Å
344	T	92.4	Very high	88	Confident	4 Å²	4	44.8 Å²	44.8	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-85.7	-16.6	-174.7	62.6	0	0	0	0	113	I255 I340 A346 G367 H368 A369 I385 P388	I255-T344 HydrophobicContact CD1-CG2 3.63Å; I340-T344 HydrophobicContact CG2-CG2 3.98Å; I340-T344 WeakPolarHBondContact O-CG2 3.41Å; I340-T344 PolarHBondContact O-N 3.22Å; I340-T344 PolarHBondContact O-OG1 2.89Å; T344-A346 VanDerWaalsContact C-N 3.35Å; T344-A346 PolarHBondContact OG1-N 3.34Å; T344-G367 CarbonylContact O-C 3.56Å; T344-G367 VanDerWaalsContact O-CA 3.31Å; T344-G367 WeakPolarHBondContact O-CA 3.34Å; T344-H368 PolarHBondContact O-N 3.03Å; T344-A369 HydrophobicContact CG2-CB 4.46Å; T344-I385 HydrophobicContact CG2-CG2 4.23Å; T344-P388 HydrophobicContact CG2-CB 4.18Å
345	G	91.8	Very high	86	Confident	42 Å²	42	52.1 Å²	52.1	43%	0.433	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	6.2	-172.7	0	0	0	0	0	113.7	A341	A341-G345 CarbonylContact O-C 3.59Å; A341-G345 WeakPolarHBondContact O-CA 3.24Å; A341-G345 PolarHBondContact O-N 3.35Å
346	A	93.7	Very high	83.8	Confident	10 Å²	10	57.5 Å²	57.5	8%	0.083	31%	0.314	C	S	.	.			trans	-66.8	155.6	175.2	0	0	0	0	0	111.4	C257 A341 T344 L365 G367	C257-A346 HydrophobicContact CB-CB 4.39Å; A341-A346 CarbonylContact C-O 3.55Å; A341-A346 HydrophobicContact CB-CB 4.3Å; A341-A346 WeakPolarHBondContact CB-O 3.34Å; A341-A346 PolarHBondContact O-N 3.32Å; T344-A346 VanDerWaalsContact C-N 3.35Å; T344-A346 PolarHBondContact OG1-N 3.34Å; A346-L365 WeakPolarHBondContact CA-O 3.36Å; A346-G367 VanDerWaalsContact CB-N 3.3Å
347	T	92.8	Very high	82.1	Confident	71 Å²	71	61.9 Å²	61.9	44%	0.436	35%	0.352	S	S	.	.			trans	-96	130.5	167.6	-58.9	0	0	0	0	109.4	I349 L365	T347-I349 PolarHBondContact O-N 2.92Å; T347-L365 HydrophobicContact CG2-CD2 4.41Å; T347-L365 PolarHBondContact N-O 3.47Å
348	L	93.2	Very high	80.5	Confident	46 Å²	46	67.7 Å²	67.7	24%	0.241	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	114	174.4	-178.6	67.8	0	0	0	109.7	C257 N259 L337 K338 A341	C257-L348 HydrophobicContact CB-CD1 4.04Å; N259-L348 HydrophobicContact CB-CD1 4.03Å; N259-L348 HydrophobicContact CB-CD2 4.37Å; N259-L348 HydrophobicContact CB-CG 4.17Å; L337-L348 HydrophobicContact CB-CD1 3.88Å; L337-L348 HydrophobicContact CD1-CD1 4.34Å; K338-L348 HydrophobicContact CD-CD2 4.41Å; K338-L348 HydrophobicContact CG-CD2 3.5Å; K338-L348 VanDerWaalsContact CG-CD2 3.5Å; A341-L348 HydrophobicContact CB-CB 4.45Å
349	I	90.6	Very high	79.3	Confident	17 Å²	17	64.1 Å²	64.1	9%	0.087	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	121.1	-173.8	-66.4	159.9	0	0	0	110	C257 L258 N259 T347 S351 L352 F361 L365	C257-I349 PolarHBondContact O-N 3.41Å; L258-I349 HydrophobicContact CD2-CB 4.09Å; L258-I349 HydrophobicContact CD2-CD1 4.45Å; L258-I349 HydrophobicContact CD2-CG2 4.45Å; N259-I349 PolarHBondContact N-O 2.68Å; T347-I349 PolarHBondContact O-N 2.92Å; I349-S351 WeakPolarHBondContact CG2-O 3.34Å; I349-L352 HydrophobicContact CG2-CD2 4.5Å; I349-F361 HydrophobicContact CD1-CD2 3.9Å; I349-F361 HydrophobicContact CD1-CE2 3.08Å; I349-F361 HydrophobicContact CD1-CZ 3.52Å; I349-F361 HydrophobicContact CG1-CE2 4.41Å; I349-L365 HydrophobicContact CD1-CB 3.86Å; I349-L365 HydrophobicContact CD1-CD1 3.61Å; I349-L365 HydrophobicContact CD1-CG 4.25Å; I349-L365 HydrophobicContact CG1-CD1 4.45Å
350	S	86.6	Confident	78.3	Confident	89 Å²	89	63.6 Å²	63.6	62%	0.622	38%	0.375	S	S	*	.	S	Bend	trans	-89.5	-25.4	175.5	48.4	0	0	0	0	113.4
351	S	81.7	Confident	77.4	Confident	67 Å²	67	64.3 Å²	64.3	47%	0.469	38%	0.378	S	S	.	.			trans	-145.3	143.1	179	-175.8	0	0	0	0	110	I349 V353	I349-S351 WeakPolarHBondContact CG2-O 3.34Å; S351-V353 PolarHBondContact O-N 3.43Å; S351-V353 WeakPolarHBondContact OG-CG2 3.46Å
352	L	75	Confident	76.8	Confident	10 Å²	10	68.7 Å²	68.7	5%	0.052	40%	0.401	C	S	.	.			trans	-82.7	7.7	-179.7	-66.6	167.5	0	0	0	113.3	L260 R295 I299 I349 E359 S360 F361	L260-L352 HydrophobicContact CD2-CD1 4.36Å; L260-L352 HydrophobicContact CD2-CD2 4.46Å; L260-L352 HydrophobicContact CD2-CG 3.92Å; R295-L352 HydrophobicContact CB-CD1 3.61Å; R295-L352 HydrophobicContact CG-CD1 3.5Å; I299-L352 HydrophobicContact CG1-CD2 4.46Å; I349-L352 HydrophobicContact CG2-CD2 4.5Å; L352-E359 HydrophobicContact CB-CB 4.4Å; L352-E359 HydrophobicContact CB-CG 4.41Å; L352-E359 WeakPolarHBondContact O-CA 3.42Å; L352-E359 WeakPolarHBondContact O-CB 3.47Å; L352-S360 PolarHBondContact O-N 3.09Å; L352-F361 HydrophobicContact CD2-CD2 3.49Å; L352-F361 VanDerWaalsContact CD2-CD2 3.49Å; L352-F361 HydrophobicContact CD2-CE2 4.05Å; L352-F361 HydrophobicContact CD2-CG 4.49Å
353	V	66.3	Low	76.5	Confident	84 Å²	84	64.3 Å²	64.3	51%	0.509	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-79.4	121	-179.8	-178.2	0	0	0	0	109.1	S351 E359	S351-V353 PolarHBondContact O-N 3.43Å; S351-V353 WeakPolarHBondContact OG-CG2 3.46Å; V353-E359 HydrophobicContact CG2-CG 4.38Å
354	G	57.8	Low	76.3	Confident	27 Å²	27	68.5 Å²	68.5	28%	0.278	42%	0.422	S	S	.	.			trans	-77.3	-173.8	174.7	0	0	0	0	0	112.9	E356	G354-E356 VanDerWaalsContact C-N 3.34Å; G354-E356 CarbonylContact C-O 3.56Å
355	Q	51.5	Low	76.2	Confident	209 Å²	209	70.7 Å²	70.7	98%	0.977	43%	0.433	S	S	*	.	S	Bend	trans	-67.9	-35.6	175.3	-74.2	-173.7	-14.7	0	0	112.5
356	E	46.9	Very low	76.3	Confident	165 Å²	165	69.1 Å²	69.1	77%	0.771	42%	0.415	S	S	*	.	S	Bend	trans	-90	139.6	166.1	-58.4	-166.5	165.3	0	0	107	G354 D358	G354-E356 VanDerWaalsContact C-N 3.34Å; G354-E356 CarbonylContact C-O 3.56Å; E356-D358 PolarHBondContact O-N 3.17Å
357	A	56.1	Low	76.3	Confident	105 Å²	105	68.6 Å²	68.6	87%	0.868	41%	0.411	S	S	*	.	S	Bend	trans	-60.6	10.6	-168.7	0	0	0	0	0	116
358	D	61	Low	76.4	Confident	122 Å²	122	69 Å²	69	65%	0.652	41%	0.408	S	S	*	.	S	Bend	trans	-89.8	130	169.6	-118.7	-25.1	0	0	0	111.2	E356 S360	E356-D358 PolarHBondContact O-N 3.17Å; D358-S360 PolarHBondContact O-N 3.26Å; D358-S360 VanDerWaalsContact O-N 3.15Å
359	E	67.3	Low	76.4	Confident	44 Å²	44	67 Å²	67	21%	0.206	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-64.7	118.9	174.4	-66.7	179	162.9	0	0	108.7	R295 K298 L352 V353	R295-E359 WeakPolarHBondContact CG-OE2 3.22Å; R295-E359 IonicContact CZ-OE1 3.42Å; R295-E359 VanDerWaalsContact CZ-OE1 3.29Å; R295-E359 IonicContact NE-OE1 2.78Å; R295-E359 PolarHBondContact NE-OE1 3.29Å; R295-E359 IonicContact NE-OE2 2.66Å; R295-E359 PolarHBondContact NE-OE2 3.42Å; R295-E359 IonicContact NH2-OE1 3.74Å; R295-E359 PolarHBondContact NH2-OE1 3.41Å; K298-E359 HydrophobicContact CD-CB 4.26Å; K298-E359 WeakPolarHBondContact CD-O 3.49Å; K298-E359 WeakPolarHBondContact CE-O 3.37Å; K298-E359 PolarHBondContact NZ-O 2.86Å; L352-E359 HydrophobicContact CB-CB 4.4Å; L352-E359 HydrophobicContact CB-CG 4.41Å; L352-E359 WeakPolarHBondContact O-CA 3.42Å; L352-E359 WeakPolarHBondContact O-CB 3.47Å; V353-E359 HydrophobicContact CG2-CG 4.38Å
360	S	70	Confident	76.6	Confident	61 Å²	61	71.3 Å²	71.3	43%	0.427	42%	0.421	S	S	.	.			trans	-137.6	149.6	176.9	53.6	0	0	0	0	109.5	L352 D358	L352-S360 PolarHBondContact O-N 3.09Å; D358-S360 PolarHBondContact O-N 3.26Å; D358-S360 VanDerWaalsContact O-N 3.15Å
361	F	74.9	Confident	77	Confident	15 Å²	15	69.9 Å²	69.9	7%	0.066	41%	0.405	C	S	.	.			trans	-130.5	100.4	-179.4	-163.6	-83.6	0	0	0	109.2	A256 L258 I299 S302 I349 L352 L366	A256-F361 HydrophobicContact CB-CE1 4.28Å; A256-F361 HydrophobicContact CB-CZ 3.91Å; L258-F361 HydrophobicContact CD2-CE2 3.59Å; L258-F361 HydrophobicContact CD2-CZ 4.12Å; I299-F361 HydrophobicContact CG1-CD2 4.33Å; I299-F361 HydrophobicContact CG1-CG 4.38Å; S302-F361 VanDerWaalsContact CB-O 3.24Å; S302-F361 WeakPolarHBondContact CB-O 3.25Å; S302-F361 WeakPolarHBondContact OG-CD1 3.32Å; I349-F361 HydrophobicContact CD1-CD2 3.9Å; I349-F361 HydrophobicContact CD1-CE2 3.08Å; I349-F361 HydrophobicContact CD1-CZ 3.52Å; I349-F361 HydrophobicContact CG1-CE2 4.41Å; L352-F361 HydrophobicContact CD2-CD2 3.49Å; L352-F361 VanDerWaalsContact CD2-CD2 3.49Å; L352-F361 HydrophobicContact CD2-CE2 4.05Å; L352-F361 HydrophobicContact CD2-CG 4.49Å; F361-L366 HydrophobicContact CE1-CD2 3.66Å; F361-L366 HydrophobicContact CE1-CG 4.24Å; F361-L366 HydrophobicContact CZ-CD2 4.31Å
362	D	81.6	Confident	77.6	Confident	99 Å²	99	66.7 Å²	66.7	53%	0.529	38%	0.382	S	S	.	.			trans	-79.5	146.8	-177.1	-77.2	-20.2	0	0	0	112.2	S364 L365	D362-S364 WeakPolarHBondContact CB-OG 3.39Å; D362-S364 PolarHBondContact O-N 2.89Å; D362-L365 HydrophobicContact CB-CG 4.5Å; D362-L365 PolarHBondContact O-N 3.33Å; D362-L365 VanDerWaalsContact O-N 3.16Å
363	A	85	Confident	78.6	Confident	59 Å²	59	66.8 Å²	66.8	49%	0.488	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-62.6	-21.4	174.8	0	0	0	0	0	112.9	S302 L365 L366	S302-A363 WeakPolarHBondContact O-CB 3.29Å; A363-L365 PolarHBondContact O-N 3.31Å; A363-L366 HydrophobicContact CB-CD1 4.37Å; A363-L366 WeakPolarHBondContact O-CB 3.34Å; A363-L366 PolarHBondContact O-N 2.96Å
364	S	86.7	Confident	79.8	Confident	93 Å²	93	63.6 Å²	63.6	65%	0.65	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-65.1	-21.1	176.5	59.2	0	0	0	0	113.4	D362 L366	D362-S364 WeakPolarHBondContact CB-OG 3.39Å; D362-S364 PolarHBondContact O-N 2.89Å; S364-L366 VanDerWaalsContact C-N 3.32Å
365	L	89.5	Confident	81.5	Confident	49 Å²	49	66.1 Å²	66.1	26%	0.257	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-85.1	-10.7	-179.4	-55.4	171.1	0	0	0	112.6	A346 T347 I349 D362 A363	A346-L365 WeakPolarHBondContact CA-O 3.36Å; T347-L365 HydrophobicContact CG2-CD2 4.41Å; T347-L365 PolarHBondContact N-O 3.47Å; I349-L365 HydrophobicContact CD1-CB 3.86Å; I349-L365 HydrophobicContact CD1-CD1 3.61Å; I349-L365 HydrophobicContact CD1-CG 4.25Å; I349-L365 HydrophobicContact CG1-CD1 4.45Å; D362-L365 HydrophobicContact CB-CG 4.5Å; D362-L365 PolarHBondContact O-N 3.33Å; D362-L365 VanDerWaalsContact O-N 3.16Å; A363-L365 PolarHBondContact O-N 3.31Å
366	L	93.1	Very high	83.3	Confident	9 Å²	9	63.8 Å²	63.8	5%	0.047	35%	0.35	C	S	.	.			trans	-77.3	138.8	-179.6	-62.2	173.3	0	0	0	111.1	K254 A256 A304 F361 A363 S364	K254-L366 HydrophobicContact CB-CD1 4.25Å; A256-L366 HydrophobicContact CB-CD2 3.69Å; A304-L366 HydrophobicContact CB-CD1 4.36Å; A304-L366 HydrophobicContact CB-CD2 3.74Å; F361-L366 HydrophobicContact CE1-CD2 3.66Å; F361-L366 HydrophobicContact CE1-CG 4.24Å; F361-L366 HydrophobicContact CZ-CD2 4.31Å; A363-L366 HydrophobicContact CB-CD1 4.37Å; A363-L366 WeakPolarHBondContact O-CB 3.34Å; A363-L366 PolarHBondContact O-N 2.96Å; S364-L366 VanDerWaalsContact C-N 3.32Å
367	G	94.1	Very high	85.3	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	163.8	169	0	0	0	0	0	111.7	K254 I255 T344 A346	K254-G367 CarbonylContact C-O 3.58Å; K254-G367 VanDerWaalsContact CA-O 3.3Å; K254-G367 WeakPolarHBondContact CA-O 3.4Å; I255-G367 PolarHBondContact N-O 3.43Å; I255-G367 PolarHBondContact O-N 3.17Å; T344-G367 CarbonylContact O-C 3.56Å; T344-G367 VanDerWaalsContact O-CA 3.31Å; T344-G367 WeakPolarHBondContact O-CA 3.34Å; A346-G367 VanDerWaalsContact CB-N 3.3Å
368	H	95	Very high	86.7	Confident	79 Å²	79	56.4 Å²	56.4	37%	0.366	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136.4	177.9	-71.5	-76.3	0	0	0	112	A253 T344 K389	A253-H368 CarbonylContact O-C 3.53Å; A253-H368 WeakPolarHBondContact O-CA 3.24Å; T344-H368 PolarHBondContact O-N 3.03Å; H368-K389 HydrophobicContact CB-CB 4Å; H368-K389 HydrophobicContact CB-CD 4.05Å; H368-K389 PolarHBondContact O-N 2.91Å
369	A	94.4	Very high	87.9	Confident	5 Å²	5	56.1 Å²	56.1	4%	0.041	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	153.8	168.4	0	0	0	0	0	110.7	N252 A253 I255 T344 I385 G387	N252-A369 CarbonylContact C-O 3.45Å; A253-A369 HydrophobicContact CB-CB 4.36Å; A253-A369 PolarHBondContact N-O 3.32Å; A253-A369 PolarHBondContact O-N 2.69Å; I255-A369 HydrophobicContact CD1-CB 3.69Å; T344-A369 HydrophobicContact CG2-CB 4.46Å; A369-I385 HydrophobicContact CB-CG2 3.66Å; A369-G387 WeakPolarHBondContact CA-O 3.38Å
370	D	93.9	Very high	88.9	Confident	106 Å²	106	56.7 Å²	56.7	57%	0.567	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	-45.8	-177.3	-65.2	-24.8	0	0	0	111.9	N252 K386 G387	N252-D370 PolarHBondContact N-O 3.35Å; D370-K386 PolarHBondContact N-O 3.11Å; D370-G387 PolarHBondContact N-O 3.23Å; D370-G387 WeakPolarHBondContact OD2-CA 3.47Å
371	E	94.7	Very high	89.9	Confident	59 Å²	59	56.7 Å²	56.7	28%	0.276	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	148.9	174.6	65.5	176.2	-177.3	0	0	112.7	H249 V250 V373 K386	H249-E371 IonicContact CD2-OE2 2.73Å; H249-E371 IonicContact CE1-OE2 3.91Å; H249-E371 IonicContact NE2-OE2 3.69Å; H249-E371 PolarHBondContact NE2-OE2 3.1Å; V250-E371 CarbonylContact O-C 3.49Å; V250-E371 WeakPolarHBondContact O-CA 3.28Å; E371-V373 HydrophobicContact CB-CG2 4.39Å; E371-V373 HydrophobicContact CG-CG2 4.14Å; E371-K386 HydrophobicContact CG-CB 3.78Å; E371-K386 HydrophobicContact CG-CD 4.06Å; E371-K386 HydrophobicContact CG-CG 4.46Å; E371-K386 PolarHBondContact N-O 2.99Å; E371-K386 PolarHBondContact O-N 3.03Å; E371-K386 WeakPolarHBondContact OE1-CD 3.33Å; E371-K386 IonicContact OE1-NZ 3.85Å
372	V	95.2	Very high	90.8	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124.8	168	179.7	0	0	0	0	108.8	V250 A253 I255 V306 M327 V383 F384 I385	V250-V372 PolarHBondContact N-O 2.65Å; V250-V372 PolarHBondContact O-N 3.3Å; A253-V372 HydrophobicContact CB-CB 4.24Å; A253-V372 HydrophobicContact CB-CG2 3.46Å; A253-V372 VanDerWaalsContact CB-CG2 3.46Å; I255-V372 HydrophobicContact CD1-CG2 3.95Å; I255-V372 HydrophobicContact CG1-CG2 4.35Å; V306-V372 HydrophobicContact CG1-CG1 4.27Å; V306-V372 HydrophobicContact CG1-CG2 4.5Å; V306-V372 HydrophobicContact CG2-CB 3.99Å; V306-V372 HydrophobicContact CG2-CG1 4.31Å; V306-V372 HydrophobicContact CG2-CG2 4.04Å; M327-V372 HydrophobicContact CE-CG1 4.32Å; M327-V372 HydrophobicContact SD-CB 4.49Å; M327-V372 HydrophobicContact SD-CG1 3.64Å; V372-V383 HydrophobicContact CG1-CG1 3.71Å; V372-F384 CarbonylContact C-O 3.6Å; V372-F384 VanDerWaalsContact CA-O 3.24Å; V372-F384 WeakPolarHBondContact CA-O 3.14Å; V372-I385 HydrophobicContact CG1-CG1 4.37Å; V372-I385 HydrophobicContact CG2-CB 4.39Å; V372-I385 HydrophobicContact CG2-CG1 4.09Å; V372-I385 HydrophobicContact CG2-CG2 4.17Å
373	V	94.8	Very high	91.4	Very high	13 Å²	13	51.5 Å²	51.5	8%	0.079	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.5	-173.4	-165.2	0	0	0	0	109.7	R248 H249 E371 E375 V383 F384	R248-V373 CarbonylContact O-C 3.59Å; R248-V373 WeakPolarHBondContact O-CA 3.44Å; H249-V373 WeakPolarHBondContact CD2-CG2 3.3Å; E371-V373 HydrophobicContact CB-CG2 4.39Å; E371-V373 HydrophobicContact CG-CG2 4.14Å; V373-E375 HydrophobicContact CB-CG 4.35Å; V373-E375 HydrophobicContact CG1-CG 3.65Å; V373-V383 CarbonylContact O-C 3.48Å; V373-F384 PolarHBondContact N-O 3.36Å; V373-F384 PolarHBondContact O-N 2.73Å
374	Q	93.4	Very high	91.8	Very high	17 Å²	17	48.8 Å²	48.8	8%	0.079	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	116	163.6	-174.4	173.5	-22.6	0	0	109.1	M241 R248 M327 E381 L382 V383	M241-Q374 VanDerWaalsContact CB-OE1 3.27Å; M241-Q374 PolarHBondContact SD-OE1 3.47Å; M241-Q374 VanDerWaalsContact SD-OE1 3.34Å; R248-Q374 PolarHBondContact O-N 2.98Å; M327-Q374 HydrophobicContact CE-CB 3.92Å; Q374-E381 HydrophobicContact CG-CB 4.5Å; Q374-E381 PolarHBondContact NE2-OE2 2.63Å; Q374-L382 WeakPolarHBondContact CA-O 3.38Å; Q374-V383 HydrophobicContact CB-CG2 4.28Å; Q374-V383 HydrophobicContact CG-CG2 4.28Å
375	E	91.8	Very high	92.2	Very high	80 Å²	80	44.4 Å²	44.4	37%	0.374	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	146.5	175.1	-56.8	174.4	-167.3	0	0	109.3	V373 L382 F384 K386	V373-E375 HydrophobicContact CB-CG 4.35Å; V373-E375 HydrophobicContact CG1-CG 3.65Å; E375-L382 PolarHBondContact N-O 3.44Å; E375-L382 PolarHBondContact O-N 3.32Å; E375-F384 HydrophobicContact CB-CD2 4Å; E375-F384 HydrophobicContact CB-CE2 3.83Å; E375-F384 HydrophobicContact CG-CD2 4.13Å; E375-F384 HydrophobicContact CG-CE2 4.41Å; E375-K386 IonicContact OE1-NZ 2.91Å; E375-K386 PolarHBondContact OE1-NZ 3.17Å
376	R	90.6	Very high	92.4	Very high	159 Å²	159	44.6 Å²	44.6	60%	0.6	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	123.3	176.7	-176.7	173.7	172.5	175.2	-1.7	109	N378 D379 D380 E381	R376-N378 WeakPolarHBondContact CG-O 3.4Å; R376-N378 PolarHBondContact NE-O 3.34Å; R376-N378 PolarHBondContact NH2-O 3.31Å; R376-D379 IonicContact NH2-OD1 2.78Å; R376-D379 PolarHBondContact NH2-OD1 3.21Å; R376-D380 CarbonylContact C-O 3.59Å; R376-D380 WeakPolarHBondContact CA-O 3.4Å; R376-E381 HydrophobicContact CB-CG 4.24Å; R376-E381 HydrophobicContact CG-CG 4.2Å
377	I	88.8	Confident	92.2	Very high	34 Å²	34	45.3 Å²	45.3	17%	0.174	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	103.1	172.5	-60.3	-167.8	0	0	0	107.7	A221 D379 D380 L382 F384 I397	A221-I377 HydrophobicContact CB-CG2 3.9Å; I377-D379 PolarHBondContact O-N 3.34Å; I377-D380 PolarHBondContact N-O 2.78Å; I377-D380 PolarHBondContact O-N 2.91Å; I377-D380 VanDerWaalsContact O-N 3.12Å; I377-L382 HydrophobicContact CD1-CD1 4.03Å; I377-L382 HydrophobicContact CG1-CD1 4.4Å; I377-F384 HydrophobicContact CD1-CE2 4.36Å; I377-F384 HydrophobicContact CD1-CZ 3.74Å; I377-F384 HydrophobicContact CG1-CZ 4.46Å; I377-I397 HydrophobicContact CD1-CD1 3.41Å; I377-I397 VanDerWaalsContact CD1-CD1 3.41Å; I377-I397 HydrophobicContact CD1-CG2 4.24Å
378	N	85.9	Confident	92	Very high	81 Å²	81	46.1 Å²	46.1	43%	0.433	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	-109.8	-171.9	-161.6	23.7	0	0	0	112.3	L222 R376	L222-N378 PolarHBondContact O-ND2 2.89Å; R376-N378 WeakPolarHBondContact CG-O 3.4Å; R376-N378 PolarHBondContact NE-O 3.34Å; R376-N378 PolarHBondContact NH2-O 3.31Å
379	D	85.8	Confident	91.6	Very high	117 Å²	117	50.2 Å²	50.2	63%	0.626	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-13.6	177.8	-70.1	-36.2	0	0	0	113.7	R376 I377	R376-D379 IonicContact NH2-OD1 2.78Å; R376-D379 PolarHBondContact NH2-OD1 3.21Å; I377-D379 PolarHBondContact O-N 3.34Å
380	D	87.4	Confident	91.2	Very high	56 Å²	56	53.2 Å²	53.2	30%	0.299	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	139.3	179.7	-65.9	-42	0	0	0	111.1	R376 I377	R376-D380 CarbonylContact C-O 3.59Å; R376-D380 WeakPolarHBondContact CA-O 3.4Å; I377-D380 PolarHBondContact N-O 2.78Å; I377-D380 PolarHBondContact O-N 2.91Å; I377-D380 VanDerWaalsContact O-N 3.12Å
381	E	90.5	Very high	90.7	Very high	61 Å²	61	51.1 Å²	51.1	29%	0.285	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	121.4	170.2	-66.9	-172.5	153.8	0	0	109.6	T240 Q374 R376	T240-E381 HydrophobicContact CG2-CB 3.94Å; Q374-E381 HydrophobicContact CG-CB 4.5Å; Q374-E381 PolarHBondContact NE2-OE2 2.63Å; R376-E381 HydrophobicContact CB-CG 4.24Å; R376-E381 HydrophobicContact CG-CG 4.2Å
382	L	93.9	Very high	90.2	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.016	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	143.1	-176	-57.3	178.8	0	0	0	110.2	L219 N238 Q374 E375 I377 F384 I397	L219-L382 HydrophobicContact CD1-CD1 4.06Å; L219-L382 HydrophobicContact CD1-CD2 4.15Å; N238-L382 HydrophobicContact CB-CD2 3.71Å; Q374-L382 WeakPolarHBondContact CA-O 3.38Å; E375-L382 PolarHBondContact N-O 3.44Å; E375-L382 PolarHBondContact O-N 3.32Å; I377-L382 HydrophobicContact CD1-CD1 4.03Å; I377-L382 HydrophobicContact CG1-CD1 4.4Å; L382-F384 HydrophobicContact CB-CE1 4.45Å; L382-F384 HydrophobicContact CB-CE2 3.79Å; L382-F384 HydrophobicContact CB-CZ 3.71Å; L382-F384 HydrophobicContact CD1-CZ 3.95Å; L382-F384 HydrophobicContact CG-CZ 4.48Å; L382-I397 HydrophobicContact CD1-CD1 4.17Å; L382-I397 HydrophobicContact CD1-CG2 4.42Å
383	V	94.5	Very high	89.8	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	119.3	172.9	175.5	0	0	0	0	109	A236 L237 C239 M327 V329 V372 V373 Q374	A236-V383 CarbonylContact C-O 3.6Å; L237-V383 HydrophobicContact CB-CB 4.38Å; L237-V383 PolarHBondContact N-O 3.05Å; L237-V383 PolarHBondContact O-N 2.96Å; C239-V383 WeakPolarHBondContact O-CG2 3.46Å; M327-V383 HydrophobicContact CE-CG1 4.16Å; M327-V383 HydrophobicContact CE-CG2 4.05Å; V329-V383 HydrophobicContact CG2-CG2 4.23Å; V372-V383 HydrophobicContact CG1-CG1 3.71Å; V373-V383 CarbonylContact O-C 3.48Å; Q374-V383 HydrophobicContact CB-CG2 4.28Å; Q374-V383 HydrophobicContact CG-CG2 4.28Å
384	F	94.9	Very high	89.7	Confident	3 Å²	3	51 Å²	51	1%	0.013	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	128.7	177.6	-64.1	-71.4	0	0	0	110.6	V232 A236 V372 V373 E375 I377 L382 K386 I397	V232-F384 HydrophobicContact CG1-CD1 3.93Å; V232-F384 HydrophobicContact CG1-CE1 4.49Å; V232-F384 HydrophobicContact CG2-CD1 4.16Å; V232-F384 HydrophobicContact CG2-CE1 3.88Å; A236-F384 HydrophobicContact CB-CD1 3.69Å; A236-F384 HydrophobicContact CB-CE1 3.51Å; V372-F384 CarbonylContact C-O 3.6Å; V372-F384 VanDerWaalsContact CA-O 3.24Å; V372-F384 WeakPolarHBondContact CA-O 3.14Å; V373-F384 PolarHBondContact N-O 3.36Å; V373-F384 PolarHBondContact O-N 2.73Å; E375-F384 HydrophobicContact CB-CD2 4Å; E375-F384 HydrophobicContact CB-CE2 3.83Å; E375-F384 HydrophobicContact CG-CD2 4.13Å; E375-F384 HydrophobicContact CG-CE2 4.41Å; I377-F384 HydrophobicContact CD1-CE2 4.36Å; I377-F384 HydrophobicContact CD1-CZ 3.74Å; I377-F384 HydrophobicContact CG1-CZ 4.46Å; L382-F384 HydrophobicContact CB-CE1 4.45Å; L382-F384 HydrophobicContact CB-CE2 3.79Å; L382-F384 HydrophobicContact CB-CZ 3.71Å; L382-F384 HydrophobicContact CD1-CZ 3.95Å; L382-F384 HydrophobicContact CG-CZ 4.48Å; F384-K386 HydrophobicContact CB-CG 4.33Å; F384-I397 HydrophobicContact CE1-CD1 3.46Å; F384-I397 VanDerWaalsContact CE1-CD1 3.46Å; F384-I397 HydrophobicContact CZ-CD1 3.55Å
385	I	94.5	Very high	89.8	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	97.2	171.9	-55.2	174.6	0	0	0	106.6	G234 Y235 I255 L308 I340 T344 A369 V372	G234-I385 CarbonylContact C-O 3.53Å; G234-I385 WeakPolarHBondContact CA-O 3.04Å; Y235-I385 PolarHBondContact N-O 3.05Å; Y235-I385 PolarHBondContact O-N 3.33Å; I255-I385 HydrophobicContact CD1-CD1 4.49Å; I255-I385 HydrophobicContact CD1-CG2 3.71Å; L308-I385 HydrophobicContact CD1-CD1 3.99Å; I340-I385 HydrophobicContact CB-CD1 4.46Å; I340-I385 HydrophobicContact CD1-CD1 3.8Å; I340-I385 HydrophobicContact CG1-CD1 4.02Å; I340-I385 HydrophobicContact CG2-CD1 3.59Å; T344-I385 HydrophobicContact CG2-CG2 4.23Å; A369-I385 HydrophobicContact CB-CG2 3.66Å; V372-I385 HydrophobicContact CG1-CG1 4.37Å; V372-I385 HydrophobicContact CG2-CB 4.39Å; V372-I385 HydrophobicContact CG2-CG1 4.09Å; V372-I385 HydrophobicContact CG2-CG2 4.17Å
386	K	92.6	Very high	89.9	Confident	53 Å²	53	46.4 Å²	46.4	23%	0.23	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	142.5	-175.4	-64.1	165.4	-179.3	170.6	0	109.7	D370 E371 E375 F384	D370-K386 PolarHBondContact N-O 3.11Å; E371-K386 HydrophobicContact CG-CB 3.78Å; E371-K386 HydrophobicContact CG-CD 4.06Å; E371-K386 HydrophobicContact CG-CG 4.46Å; E371-K386 PolarHBondContact N-O 2.99Å; E371-K386 PolarHBondContact O-N 3.03Å; E371-K386 WeakPolarHBondContact OE1-CD 3.33Å; E371-K386 IonicContact OE1-NZ 3.85Å; E375-K386 IonicContact OE1-NZ 2.91Å; E375-K386 PolarHBondContact OE1-NZ 3.17Å; F384-K386 HydrophobicContact CB-CG 4.33Å
387	G	89.3	Confident	90.2	Very high	23 Å²	23	39 Å²	39	24%	0.237	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62.1	55.3	178.4	0	0	0	0	0	115.6	N233 A369 D370	N233-G387 PolarHBondContact O-N 3.46Å; A369-G387 WeakPolarHBondContact CA-O 3.38Å; D370-G387 PolarHBondContact N-O 3.23Å; D370-G387 WeakPolarHBondContact OD2-CA 3.47Å
388	P	90	Very high	90.5	Very high	18 Å²	18	37.3 Å²	37.3	12%	0.117	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	135.2	174	29.2	-34.8	0	0	0	111.8	A343 T344 R391 A393	A343-P388 HydrophobicContact CB-CB 3.92Å; A343-P388 HydrophobicContact CB-CG 4.18Å; A343-P388 WeakPolarHBondContact O-CB 3.49Å; T344-P388 HydrophobicContact CG2-CB 4.18Å; P388-R391 WeakPolarHBondContact CG-O 3.1Å; P388-A393 HydrophobicContact CG-CB 4.23Å
389	K	86.9	Confident	90.8	Very high	165 Å²	165	35 Å²	35	72%	0.717	19%	0.19	S	C	*	.	S	Bend	trans	-78.7	-34.4	-167.9	-167.4	176.8	-178.2	179.1	0	115.1	H368	H368-K389 HydrophobicContact CB-CB 4Å; H368-K389 HydrophobicContact CB-CD 4.05Å; H368-K389 PolarHBondContact O-N 2.91Å
390	A	85.3	Confident	91.1	Very high	67 Å²	67	29.5 Å²	29.5	55%	0.554	16%	0.16	S	C	*	.	S	Bend	trans	-83.4	-42.6	-171.6	0	0	0	0	0	112.5	A343	A343-A390 WeakPolarHBondContact O-CA 3.5Å; A343-A390 WeakPolarHBondContact O-CB 3.34Å; A343-A390 PolarHBondContact O-N 3.43Å; A343-A390 VanDerWaalsContact O-N 3.09Å
391	R	83.9	Confident	91.3	Very high	62 Å²	62	30.8 Å²	30.8	23%	0.234	18%	0.178	C	C	.	.	S	Bend	trans	-147.2	135.2	177.8	-177.6	-171.2	175.8	149.6	13	109.4	V201 V203 A343 P388 A393	V201-R391 PolarHBondContact O-NH2 3.13Å; V203-R391 VanDerWaalsContact CB-NH2 3.27Å; V203-R391 HydrophobicContact CG2-CG 4.04Å; A343-R391 WeakPolarHBondContact CA-O 3.38Å; A343-R391 PolarHBondContact O-N 3.36Å; P388-R391 WeakPolarHBondContact CG-O 3.1Å; R391-A393 PolarHBondContact O-N 3.48Å
392	S	83.8	Confident	91.2	Very high	61 Å²	61	31.5 Å²	31.5	43%	0.427	18%	0.184	S	C	.	.			trans	-61.8	133.4	171.6	43.6	0	0	0	0	111.2	K200	K200-S392 WeakPolarHBondContact O-CB 3.35Å; K200-S392 PolarHBondContact O-OG 2.76Å
393	A	87.2	Confident	90.9	Very high	9 Å²	9	37.3 Å²	37.3	7%	0.074	21%	0.211	C	C	.	.			trans	-122.3	154.3	175.2	0	0	0	0	0	108.9	G234 Y235 A343 P388 R391	G234-A393 WeakPolarHBondContact CA-O 3.49Å; G234-A393 PolarHBondContact N-O 3.43Å; G234-A393 CarbonylContact O-C 3.46Å; Y235-A393 HydrophobicContact CD2-CB 4.45Å; A343-A393 HydrophobicContact CB-CB 3.98Å; P388-A393 HydrophobicContact CG-CB 4.23Å; R391-A393 PolarHBondContact O-N 3.48Å
394	S	92.6	Very high	90.6	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.			trans	-132.6	151.2	172.7	62.5	0	0	0	0	110	A197 V201 I216 N217 V232 G234	A197-S394 PolarHBondContact O-OG 3.41Å; V201-S394 WeakPolarHBondContact CG1-OG 3.44Å; I216-S394 WeakPolarHBondContact CA-O 3.21Å; N217-S394 PolarHBondContact N-O 3.41Å; V232-S394 WeakPolarHBondContact O-CA 3.49Å; G234-S394 CarbonylContact O-C 3.49Å; G234-S394 VanDerWaalsContact O-CA 3.24Å; G234-S394 WeakPolarHBondContact O-CA 3.42Å; G234-S394 PolarHBondContact O-N 3.03Å
395	S	94.8	Very high	90.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	141.6	172.5	-55.9	0	0	0	0	109.5	N217 V232 G234 Y235 A236	N217-S395 CarbonylContact O-C 3.47Å; N217-S395 WeakPolarHBondContact O-CA 3.09Å; V232-S395 PolarHBondContact N-O 3.12Å; V232-S395 PolarHBondContact O-N 2.95Å; G234-S395 PolarHBondContact O-N 3.35Å; G234-S395 VanDerWaalsContact O-N 3.13Å; G234-S395 PolarHBondContact O-OG 3.03Å; Y235-S395 WeakPolarHBondContact CA-OG 3.48Å; A236-S395 PolarHBondContact N-OG 3.31Å
396	I	95.9	Very high	90.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	126.2	178.3	-59	171.2	0	0	0	107	L193 A197 I216 N217 I218 L219 T229 L231 L398 I413	L193-I396 HydrophobicContact CD2-CB 4.42Å; L193-I396 HydrophobicContact CD2-CD1 3.56Å; L193-I396 HydrophobicContact CD2-CG1 3.77Å; L193-I396 HydrophobicContact CD2-CG2 3.8Å; A197-I396 HydrophobicContact CB-CD1 4Å; A197-I396 HydrophobicContact CB-CG1 4.36Å; I216-I396 HydrophobicContact CG2-CD1 3.99Å; I216-I396 HydrophobicContact CG2-CG1 4.12Å; N217-I396 PolarHBondContact O-N 3.48Å; I218-I396 WeakPolarHBondContact CA-O 3.45Å; L219-I396 PolarHBondContact N-O 3.47Å; T229-I396 HydrophobicContact CG2-CG2 3.74Å; L231-I396 HydrophobicContact CD1-CG1 3.96Å; I396-L398 HydrophobicContact CG2-CD2 3.81Å; I396-L398 HydrophobicContact CG2-CG 4.39Å; I396-I413 HydrophobicContact CD1-CG2 4.09Å
397	I	95.3	Very high	90	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.015	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	104.7	176.7	-48.9	175.2	0	0	0	108	A221 T229 V230 V232 I377 L382 F384	A221-I397 HydrophobicContact CB-CG2 3.96Å; T229-I397 VanDerWaalsContact CA-O 3.3Å; T229-I397 WeakPolarHBondContact CA-O 3.32Å; T229-I397 WeakPolarHBondContact CG2-O 3.46Å; V230-I397 PolarHBondContact N-O 3.12Å; V230-I397 VanDerWaalsContact N-O 3.15Å; V230-I397 PolarHBondContact O-N 3.48Å; V232-I397 HydrophobicContact CG2-CD1 3.85Å; V232-I397 HydrophobicContact CG2-CG1 4.25Å; I377-I397 HydrophobicContact CD1-CD1 3.41Å; I377-I397 VanDerWaalsContact CD1-CD1 3.41Å; I377-I397 HydrophobicContact CD1-CG2 4.24Å; L382-I397 HydrophobicContact CD1-CD1 4.17Å; L382-I397 HydrophobicContact CD1-CG2 4.42Å; F384-I397 HydrophobicContact CE1-CD1 3.46Å; F384-I397 VanDerWaalsContact CE1-CD1 3.46Å; F384-I397 HydrophobicContact CZ-CD1 3.55Å
398	L	95.4	Very high	89.9	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	131.8	179.3	-57.8	175.4	0	0	0	110.7	I218 L219 K220 A221 T229 I396 L406 M409 E410 I413	I218-L398 HydrophobicContact CG2-CD1 3.47Å; I218-L398 VanDerWaalsContact CG2-CD1 3.47Å; I218-L398 HydrophobicContact CG2-CG 3.9Å; L219-L398 PolarHBondContact O-N 2.81Å; K220-L398 HydrophobicContact CG-CD1 4.48Å; A221-L398 PolarHBondContact N-O 3.23Å; T229-L398 HydrophobicContact CG2-CD2 3.75Å; I396-L398 HydrophobicContact CG2-CD2 3.81Å; I396-L398 HydrophobicContact CG2-CG 4.39Å; L398-L406 HydrophobicContact CB-CD2 3.75Å; L398-M409 HydrophobicContact CD1-CB 4.07Å; L398-M409 HydrophobicContact CD2-CE 4.27Å; L398-E410 HydrophobicContact CD1-CB 3.93Å; L398-I413 HydrophobicContact CD1-CD1 4.28Å; L398-I413 HydrophobicContact CD2-CD1 3.18Å; L398-I413 HydrophobicContact CG-CD1 4.33Å
399	R	93.4	Very high	90	Very high	33 Å²	33	41.4 Å²	41.4	13%	0.125	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	145.7	175.9	-60.6	-67.2	-74.9	160.1	-1.5	108.5	A221 L222 G223 S225 D228 T229	A221-R399 PolarHBondContact O-NH1 3.25Å; L222-R399 PolarHBondContact O-NH1 3.32Å; G223-R399 WeakPolarHBondContact O-CB 3.43Å; G223-R399 PolarHBondContact O-NE 2.94Å; G223-R399 VanDerWaalsContact O-NE 3.16Å; G223-R399 PolarHBondContact O-NH2 3.42Å; S225-R399 CarbonylContact O-C 3.57Å; S225-R399 WeakPolarHBondContact O-CB 3.25Å; D228-R399 HydrophobicContact CB-CB 3.98Å; D228-R399 HydrophobicContact CB-CG 3.98Å; D228-R399 WeakPolarHBondContact O-CG 3.44Å; T229-R399 PolarHBondContact OG1-N 2.99Å
400	G	91.7	Very high	90.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.6	164.2	-171	0	0	0	0	0	113.1	G223	G223-G400 PolarHBondContact N-O 3.19Å; G223-G400 PolarHBondContact O-N 3.37Å
401	A	90.2	Very high	90.4	Very high	83 Å²	83	36.2 Å²	36.2	69%	0.686	19%	0.19	S	C	*	.	S	Bend	trans	-72.1	-36.8	-170.7	0	0	0	0	0	113.9
402	N	88.9	Confident	90.7	Very high	76 Å²	76	33.2 Å²	33.2	41%	0.406	18%	0.179	S	C	.	.	S	Bend	trans	-146.7	166.9	-177.8	63.6	20.1	0	0	0	111.7	H404 M405 L406	N402-H404 PolarHBondContact O-N 2.61Å; N402-M405 PolarHBondContact O-N 2.87Å; N402-M405 WeakPolarHBondContact OD1-CB 3.23Å; N402-M405 PolarHBondContact OD1-N 3.5Å; N402-L406 WeakPolarHBondContact O-CG 3.45Å; N402-L406 PolarHBondContact O-N 3.43Å
403	E	88.2	Confident	91.2	Very high	126 Å²	126	30.3 Å²	30.3	59%	0.589	16%	0.158	S	C	*	.	H	α-helix	trans	-65	-39	-177.2	-66.2	-171.2	159.7	0	0	112.5	L222 M405 L406 D407	L222-E403 HydrophobicContact CD1-CG 3.86Å; L222-E403 HydrophobicContact CD2-CG 3.88Å; L222-E403 HydrophobicContact CG-CG 4.21Å; E403-M405 VanDerWaalsContact C-N 3.31Å; E403-M405 PolarHBondContact O-N 3.42Å; E403-L406 PolarHBondContact O-N 3.45Å; E403-L406 VanDerWaalsContact O-N 3.12Å; E403-D407 PolarHBondContact O-N 3Å
404	H	87.2	Confident	91.4	Very high	77 Å²	77	33.4 Å²	33.4	36%	0.356	17%	0.171	S	C	.	.	H	α-helix	trans	-60.5	-40.8	179.6	-56.3	-58.7	0	0	0	112.5	V74 N402 E408	V74-H404 PolarHBondContact O-CE1 2.93Å; V74-H404 PolarHBondContact O-ND1 3.19Å; N402-H404 PolarHBondContact O-N 2.61Å; H404-E408 PolarHBondContact O-N 3.31Å
405	M	88.8	Confident	91.3	Very high	53 Å²	53	33.8 Å²	33.8	26%	0.261	17%	0.173	S	C	.	.	H	α-helix	trans	-65.9	-44.9	174.6	-175.1	-178.4	-166.4	0	0	110.7	T226 N402 E403 D407 E408 M409	T226-M405 HydrophobicContact CG2-CE 3.25Å; T226-M405 HydrophobicContact CG2-SD 4.16Å; N402-M405 PolarHBondContact O-N 2.87Å; N402-M405 WeakPolarHBondContact OD1-CB 3.23Å; N402-M405 PolarHBondContact OD1-N 3.5Å; E403-M405 VanDerWaalsContact C-N 3.31Å; E403-M405 PolarHBondContact O-N 3.42Å; M405-D407 VanDerWaalsContact C-N 3.31Å; M405-D407 PolarHBondContact O-N 2.97Å; M405-E408 PolarHBondContact O-N 3.04Å; M405-M409 HydrophobicContact CE-SD 4.45Å; M405-M409 HydrophobicContact CG-CG 4.34Å; M405-M409 HydrophobicContact CG-SD 4.04Å; M405-M409 WeakPolarHBondContact O-CB 3.27Å; M405-M409 WeakPolarHBondContact O-CG 3.29Å; M405-M409 PolarHBondContact O-N 2.67Å
406	L	92	Very high	91.2	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-62.1	-37.8	178.7	-71	170.4	0	0	0	112.5	K220 L222 L398 N402 E403 M409 E410	K220-L406 HydrophobicContact CB-CB 4.27Å; K220-L406 HydrophobicContact CB-CD1 4.23Å; K220-L406 HydrophobicContact CD-CB 3.89Å; K220-L406 HydrophobicContact CG-CB 4.08Å; L222-L406 HydrophobicContact CD2-CD1 3.95Å; L222-L406 HydrophobicContact CG-CD1 4.05Å; L398-L406 HydrophobicContact CB-CD2 3.75Å; N402-L406 WeakPolarHBondContact O-CG 3.45Å; N402-L406 PolarHBondContact O-N 3.43Å; E403-L406 PolarHBondContact O-N 3.45Å; E403-L406 VanDerWaalsContact O-N 3.12Å; L406-M409 HydrophobicContact CD2-SD 4.23Å; L406-M409 PolarHBondContact O-N 3.34Å; L406-E410 WeakPolarHBondContact O-CB 3.43Å; L406-E410 PolarHBondContact O-N 3.06Å
407	D	89.7	Confident	91.1	Very high	52 Å²	52	33.9 Å²	33.9	28%	0.278	17%	0.174	S	C	.	.	H	α-helix	trans	-62.9	-43.1	175	-79.1	-7.3	0	0	0	111.9	K220 E403 M405 R411	K220-D407 IonicContact NZ-OD1 3.58Å; K220-D407 PolarHBondContact NZ-OD1 3.28Å; E403-D407 PolarHBondContact O-N 3Å; M405-D407 VanDerWaalsContact C-N 3.31Å; M405-D407 PolarHBondContact O-N 2.97Å; D407-R411 WeakPolarHBondContact O-CG 3.33Å; D407-R411 PolarHBondContact O-N 2.85Å
408	E	87.3	Confident	91	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-72.8	-34.8	177.2	-173.9	60.5	-171.8	0	0	112	T77 N78 L182 H404 M405 R411 S412	T77-E408 VanDerWaalsContact CA-OE2 3.28Å; T77-E408 WeakPolarHBondContact CA-OE2 3.34Å; T77-E408 WeakPolarHBondContact CB-OE2 3.26Å; T77-E408 PolarHBondContact OG1-OE1 2.96Å; T77-E408 PolarHBondContact OG1-OE2 3.01Å; N78-E408 PolarHBondContact N-OE1 3.13Å; L182-E408 HydrophobicContact CD1-CB 3.92Å; L182-E408 HydrophobicContact CD1-CG 3.74Å; L182-E408 HydrophobicContact CG-CG 4.22Å; H404-E408 PolarHBondContact O-N 3.31Å; M405-E408 PolarHBondContact O-N 3.04Å; E408-R411 PolarHBondContact O-N 3.24Å; E408-R411 IonicContact OE2-NH1 2.71Å; E408-S412 WeakPolarHBondContact O-CB 3.38Å; E408-S412 PolarHBondContact O-N 3.48Å; E408-S412 PolarHBondContact O-OG 3.35Å
409	M	91.8	Very high	90.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-44.3	172.2	-71	174.6	73.2	0	0	111.6	I183 F190 T226 L398 M405 L406 R411 S412 I413	I183-M409 HydrophobicContact CG2-CB 4.22Å; I183-M409 HydrophobicContact CG2-CE 4.41Å; I183-M409 HydrophobicContact CG2-CG 3.61Å; F190-M409 HydrophobicContact CE1-CE 4.08Å; F190-M409 HydrophobicContact CE2-CE 4.49Å; F190-M409 HydrophobicContact CZ-CE 3.59Å; T226-M409 HydrophobicContact CG2-CE 3.77Å; T226-M409 HydrophobicContact CG2-SD 3.8Å; L398-M409 HydrophobicContact CD1-CB 4.07Å; L398-M409 HydrophobicContact CD2-CE 4.27Å; M405-M409 HydrophobicContact CE-SD 4.45Å; M405-M409 HydrophobicContact CG-CG 4.34Å; M405-M409 HydrophobicContact CG-SD 4.04Å; M405-M409 WeakPolarHBondContact O-CB 3.27Å; M405-M409 WeakPolarHBondContact O-CG 3.29Å; M405-M409 PolarHBondContact O-N 2.67Å; L406-M409 HydrophobicContact CD2-SD 4.23Å; L406-M409 PolarHBondContact O-N 3.34Å; M409-R411 VanDerWaalsContact C-N 3.34Å; M409-R411 PolarHBondContact O-N 3.16Å; M409-S412 PolarHBondContact O-N 2.89Å; M409-I413 WeakPolarHBondContact O-CB 3.4Å; M409-I413 WeakPolarHBondContact O-CG1 3.23Å; M409-I413 PolarHBondContact O-N 3.43Å
410	E	92.3	Very high	90.9	Very high	68 Å²	68	33 Å²	33	32%	0.318	17%	0.173	S	C	.	.	H	α-helix	trans	-57.5	-46.9	176.8	177.8	-179.2	-178.8	0	0	111.1	I218 K220 L398 L406 H414	I218-E410 HydrophobicContact CB-CG 4.45Å; I218-E410 HydrophobicContact CG2-CB 4.36Å; I218-E410 HydrophobicContact CG2-CG 3.98Å; K220-E410 HydrophobicContact CD-CB 4.47Å; K220-E410 WeakPolarHBondContact CD-OE2 3.39Å; K220-E410 VanDerWaalsContact CE-OE2 3.29Å; K220-E410 WeakPolarHBondContact CE-OE2 3.35Å; K220-E410 IonicContact NZ-OE2 2.75Å; K220-E410 PolarHBondContact NZ-OE2 3.41Å; L398-E410 HydrophobicContact CD1-CB 3.93Å; L406-E410 WeakPolarHBondContact O-CB 3.43Å; L406-E410 PolarHBondContact O-N 3.06Å; E410-H414 WeakPolarHBondContact O-CB 3.41Å; E410-H414 PolarHBondContact O-N 3.06Å
411	R	88.6	Confident	91	Very high	54 Å²	54	35.2 Å²	35.2	20%	0.204	18%	0.182	C	C	.	.	H	α-helix	trans	-63.3	-47.3	177	-67.7	173.2	-167.2	169.7	6.2	111.6	V75 T77 D407 E408 M409 I413 H414 D415	V75-R411 VanDerWaalsContact CG1-NH1 3.31Å; T77-R411 VanDerWaalsContact CB-NH1 3.31Å; T77-R411 PolarHBondContact OG1-NH1 2.87Å; D407-R411 WeakPolarHBondContact O-CG 3.33Å; D407-R411 PolarHBondContact O-N 2.85Å; E408-R411 PolarHBondContact O-N 3.24Å; E408-R411 IonicContact OE2-NH1 2.71Å; M409-R411 VanDerWaalsContact C-N 3.34Å; M409-R411 PolarHBondContact O-N 3.16Å; R411-I413 VanDerWaalsContact C-N 3.3Å; R411-I413 PolarHBondContact O-N 3.27Å; R411-H414 WeakPolarHBondContact O-CA 3.04Å; R411-H414 WeakPolarHBondContact O-CB 3.41Å; R411-H414 PolarHBondContact O-N 3.28Å; R411-D415 VanDerWaalsContact O-CG 3.27Å; R411-D415 PolarHBondContact O-N 3.31Å
412	S	89.9	Confident	91.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-58.9	-42.5	-179.4	-57.4	0	0	0	0	112.4	K181 E408 M409 A416	K181-S412 WeakPolarHBondContact CB-OG 3.29Å; K181-S412 VanDerWaalsContact CD-OG 3.24Å; K181-S412 WeakPolarHBondContact CD-OG 3.19Å; E408-S412 WeakPolarHBondContact O-CB 3.38Å; E408-S412 PolarHBondContact O-N 3.48Å; E408-S412 PolarHBondContact O-OG 3.35Å; M409-S412 PolarHBondContact O-N 2.89Å; S412-A416 PolarHBondContact O-N 3.11Å
413	I	93.3	Very high	91.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-70	-38.4	176.2	-72.5	170	0	0	0	111	I183 F190 V194 I218 I396 L398 M409 R411 D415 A416 L417	I183-I413 HydrophobicContact CD1-CG1 4.12Å; F190-I413 HydrophobicContact CD1-CD1 3.97Å; F190-I413 HydrophobicContact CD1-CG1 4.48Å; F190-I413 HydrophobicContact CE1-CD1 4.13Å; V194-I413 HydrophobicContact CG2-CG2 4.04Å; I218-I413 HydrophobicContact CD1-CG2 3.93Å; I396-I413 HydrophobicContact CD1-CG2 4.09Å; L398-I413 HydrophobicContact CD1-CD1 4.28Å; L398-I413 HydrophobicContact CD2-CD1 3.18Å; L398-I413 HydrophobicContact CG-CD1 4.33Å; M409-I413 WeakPolarHBondContact O-CB 3.4Å; M409-I413 WeakPolarHBondContact O-CG1 3.23Å; M409-I413 PolarHBondContact O-N 3.43Å; R411-I413 VanDerWaalsContact C-N 3.3Å; R411-I413 PolarHBondContact O-N 3.27Å; I413-D415 VanDerWaalsContact C-N 3.32Å; I413-D415 PolarHBondContact O-N 3.49Å; I413-A416 PolarHBondContact O-N 3.11Å; I413-L417 HydrophobicContact CG2-CD1 3.89Å; I413-L417 HydrophobicContact CG2-CG 4.21Å; I413-L417 WeakPolarHBondContact O-CB 3.28Å; I413-L417 VanDerWaalsContact O-CG 3.24Å; I413-L417 WeakPolarHBondContact O-CG 3.28Å; I413-L417 PolarHBondContact O-N 3.13Å
414	H	92.1	Very high	91.4	Very high	73 Å²	73	24.9 Å²	24.9	34%	0.338	12%	0.117	S	C	.	.	H	α-helix	trans	-57.7	-46.4	175.4	-173.4	62.8	0	0	0	111.8	E410 R411 A416 L417 C418	E410-H414 WeakPolarHBondContact O-CB 3.41Å; E410-H414 PolarHBondContact O-N 3.06Å; R411-H414 WeakPolarHBondContact O-CA 3.04Å; R411-H414 WeakPolarHBondContact O-CB 3.41Å; R411-H414 PolarHBondContact O-N 3.28Å; H414-A416 VanDerWaalsContact C-N 3.35Å; H414-A416 PolarHBondContact O-N 3.4Å; H414-L417 WeakPolarHBondContact O-CB 3.16Å; H414-L417 PolarHBondContact O-N 3.12Å; H414-C418 WeakPolarHBondContact O-CB 3.35Å; H414-C418 PolarHBondContact O-N 3.26Å; H414-C418 PolarHBondContact O-SG 3.03Å; H414-C418 VanDerWaalsContact O-SG 3.38Å
415	D	90.8	Very high	91.5	Very high	9 Å²	9	24.5 Å²	24.5	5%	0.048	12%	0.115	C	C	.	.	H	α-helix	trans	-65.6	-39.3	-180	-59.8	-13.2	0	0	0	111.8	G109 K181 R411 I413 C418 S419	G109-D415 WeakPolarHBondContact O-CA 3.37Å; G109-D415 WeakPolarHBondContact O-CB 3.35Å; K181-D415 WeakPolarHBondContact CE-OD2 3.36Å; K181-D415 IonicContact NZ-OD2 2.95Å; K181-D415 PolarHBondContact NZ-OD2 2.91Å; R411-D415 VanDerWaalsContact O-CG 3.27Å; R411-D415 PolarHBondContact O-N 3.31Å; I413-D415 VanDerWaalsContact C-N 3.32Å; I413-D415 PolarHBondContact O-N 3.49Å; D415-C418 PolarHBondContact O-N 3.27Å; D415-S419 WeakPolarHBondContact O-CB 3.29Å; D415-S419 PolarHBondContact O-N 3.45Å; D415-S419 PolarHBondContact O-OG 3.16Å
416	A	92.8	Very high	91.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.2	-42.5	175	0	0	0	0	0	112.1	S177 M178 V194 S412 I413 H414 C418 S419 L420	S177-A416 VanDerWaalsContact OG-CA 3.28Å; S177-A416 WeakPolarHBondContact OG-CA 3.35Å; S177-A416 VanDerWaalsContact OG-CB 3.31Å; S177-A416 WeakPolarHBondContact OG-CB 3.39Å; M178-A416 HydrophobicContact CE-CB 3.35Å; M178-A416 HydrophobicContact CG-CB 4.05Å; V194-A416 HydrophobicContact CG1-CB 4.24Å; S412-A416 PolarHBondContact O-N 3.11Å; I413-A416 PolarHBondContact O-N 3.11Å; H414-A416 VanDerWaalsContact C-N 3.35Å; H414-A416 PolarHBondContact O-N 3.4Å; A416-C418 VanDerWaalsContact C-N 3.32Å; A416-C418 PolarHBondContact O-N 3.48Å; A416-S419 PolarHBondContact O-N 3.26Å; A416-L420 WeakPolarHBondContact O-CB 3.45Å; A416-L420 WeakPolarHBondContact O-CG 3.29Å; A416-L420 PolarHBondContact O-N 3.39Å
417	L	94.3	Very high	91.3	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-60.8	-42.6	174.5	-74.8	171.1	0	0	0	111.5	V194 L198 V213 I216 I218 I413 H414 K421	V194-L417 HydrophobicContact CB-CD2 4.42Å; V194-L417 HydrophobicContact CG1-CD2 3.46Å; V194-L417 VanDerWaalsContact CG1-CD2 3.46Å; V194-L417 HydrophobicContact CG1-CG 3.82Å; L198-L417 HydrophobicContact CD1-CD2 3.84Å; L198-L417 HydrophobicContact CD2-CD2 4.14Å; L198-L417 HydrophobicContact CG-CD2 3.59Å; V213-L417 HydrophobicContact CG1-CB 3.78Å; V213-L417 HydrophobicContact CG1-CD1 4.15Å; V213-L417 HydrophobicContact CG2-CB 4.15Å; I216-L417 HydrophobicContact CD1-CD1 4.15Å; I216-L417 HydrophobicContact CD1-CD2 3.5Å; I216-L417 HydrophobicContact CD1-CG 4.47Å; I218-L417 HydrophobicContact CD1-CD1 4.11Å; I413-L417 HydrophobicContact CG2-CD1 3.89Å; I413-L417 HydrophobicContact CG2-CG 4.21Å; I413-L417 WeakPolarHBondContact O-CB 3.28Å; I413-L417 VanDerWaalsContact O-CG 3.24Å; I413-L417 WeakPolarHBondContact O-CG 3.28Å; I413-L417 PolarHBondContact O-N 3.13Å; H414-L417 WeakPolarHBondContact O-CB 3.16Å; H414-L417 PolarHBondContact O-N 3.12Å; L417-K421 VanDerWaalsContact O-CB 3.27Å; L417-K421 WeakPolarHBondContact O-CB 3.34Å; L417-K421 PolarHBondContact O-N 3.07Å
418	C	93.1	Very high	91.4	Very high	16 Å²	16	31 Å²	31	11%	0.108	14%	0.142	C	C	.	.	H	α-helix	trans	-65.6	-45.6	177.1	-77.9	0	0	0	0	111.7	V108 H414 D415 A416 K421 R422	V108-C418 WeakPolarHBondContact O-CB 3.5Å; H414-C418 WeakPolarHBondContact O-CB 3.35Å; H414-C418 PolarHBondContact O-N 3.26Å; H414-C418 PolarHBondContact O-SG 3.03Å; H414-C418 VanDerWaalsContact O-SG 3.38Å; D415-C418 PolarHBondContact O-N 3.27Å; A416-C418 VanDerWaalsContact C-N 3.32Å; A416-C418 PolarHBondContact O-N 3.48Å; C418-K421 WeakPolarHBondContact O-CB 3.35Å; C418-K421 PolarHBondContact O-N 2.93Å; C418-R422 WeakPolarHBondContact O-CG 3.35Å; C418-R422 PolarHBondContact O-N 2.84Å; C418-R422 VanDerWaalsContact O-N 3.13Å
419	S	92.9	Very high	91.8	Very high	1 Å²	1	31 Å²	31	1%	0.007	14%	0.142	C	C	.	.	H	α-helix	trans	-59.5	-50	177.1	-62.6	0	0	0	0	111.8	D415 A416 K421 R422 V423	D415-S419 WeakPolarHBondContact O-CB 3.29Å; D415-S419 PolarHBondContact O-N 3.45Å; D415-S419 PolarHBondContact O-OG 3.16Å; A416-S419 PolarHBondContact O-N 3.26Å; S419-K421 PolarHBondContact O-N 2.9Å; S419-R422 PolarHBondContact O-N 2.92Å; S419-V423 WeakPolarHBondContact O-CG2 3.17Å; S419-V423 PolarHBondContact O-N 2.96Å; S419-V423 VanDerWaalsContact O-N 3.12Å
420	L	93.4	Very high	91.9	Very high	1 Å²	1	31 Å²	31	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-64.5	-39.1	177.8	-76.8	169.7	0	0	0	112.9	L170 V173 A174 V194 I195 L198 A416 R422 V423 L424	L170-L420 HydrophobicContact CB-CD2 4.18Å; L170-L420 HydrophobicContact CD2-CD2 4.22Å; L170-L420 WeakPolarHBondContact O-CD2 3.33Å; V173-L420 HydrophobicContact CB-CD2 4.14Å; V173-L420 HydrophobicContact CG1-CD2 4.08Å; V173-L420 HydrophobicContact CG1-CG 4.49Å; A174-L420 HydrophobicContact CB-CD1 3.9Å; A174-L420 HydrophobicContact CB-CD2 4.34Å; A174-L420 HydrophobicContact CB-CG 4.29Å; V194-L420 HydrophobicContact CB-CD1 4.36Å; V194-L420 HydrophobicContact CG1-CD1 3.47Å; V194-L420 VanDerWaalsContact CG1-CD1 3.47Å; I195-L420 HydrophobicContact CG1-CD1 3.84Å; I195-L420 HydrophobicContact CG1-CD2 4.36Å; L198-L420 HydrophobicContact CD1-CB 3.37Å; L198-L420 HydrophobicContact CD1-CD1 3.85Å; L198-L420 HydrophobicContact CD1-CG 4.29Å; A416-L420 WeakPolarHBondContact O-CB 3.45Å; A416-L420 WeakPolarHBondContact O-CG 3.29Å; A416-L420 PolarHBondContact O-N 3.39Å; L420-R422 VanDerWaalsContact C-N 3.27Å; L420-R422 PolarHBondContact O-N 3.16Å; L420-V423 PolarHBondContact O-N 2.86Å; L420-L424 WeakPolarHBondContact O-CB 3.43Å; L420-L424 WeakPolarHBondContact O-CG 3.45Å; L420-L424 PolarHBondContact O-N 3.15Å
421	K	93.1	Very high	92	Very high	46 Å²	46	27.8 Å²	27.8	20%	0.2	13%	0.127	C	C	.	.	H	α-helix	trans	-53.2	-48.3	172.8	169.4	-166.5	176.7	-163.5	0	110.5	Y211 V213 L417 C418 S419 V423 L424 E425	Y211-K421 WeakPolarHBondContact O-CD 3.16Å; V213-K421 HydrophobicContact CG2-CB 3.94Å; V213-K421 HydrophobicContact CG2-CD 3.83Å; V213-K421 HydrophobicContact CG2-CG 4.38Å; L417-K421 VanDerWaalsContact O-CB 3.27Å; L417-K421 WeakPolarHBondContact O-CB 3.34Å; L417-K421 PolarHBondContact O-N 3.07Å; C418-K421 WeakPolarHBondContact O-CB 3.35Å; C418-K421 PolarHBondContact O-N 2.93Å; S419-K421 PolarHBondContact O-N 2.9Å; K421-V423 VanDerWaalsContact C-N 3.31Å; K421-V423 PolarHBondContact O-N 2.93Å; K421-L424 PolarHBondContact O-N 3.39Å; K421-E425 VanDerWaalsContact CE-CD 3.47Å; K421-E425 WeakPolarHBondContact CE-OE1 3.49Å; K421-E425 VanDerWaalsContact CE-OE2 3.27Å; K421-E425 WeakPolarHBondContact CE-OE2 3.27Å; K421-E425 HydrophobicContact CG-CG 4.39Å; K421-E425 WeakPolarHBondContact O-CB 3.24Å; K421-E425 WeakPolarHBondContact O-CG 3.43Å; K421-E425 PolarHBondContact O-N 3Å
422	R	92	Very high	92.2	Very high	33 Å²	33	25.2 Å²	25.2	13%	0.125	12%	0.117	C	C	.	.	H	α-helix	trans	-63.6	-39	-178.9	-62.1	-65.3	169.9	-172.9	-3.3	111.9	E107 C418 S419 L420 S426 P527 E529	E107-R422 PolarHBondContact O-NE 2.82Å; E107-R422 PolarHBondContact O-NH2 2.86Å; C418-R422 WeakPolarHBondContact O-CG 3.35Å; C418-R422 PolarHBondContact O-N 2.84Å; C418-R422 VanDerWaalsContact O-N 3.13Å; S419-R422 PolarHBondContact O-N 2.92Å; L420-R422 VanDerWaalsContact C-N 3.27Å; L420-R422 PolarHBondContact O-N 3.16Å; R422-S426 VanDerWaalsContact O-CB 3.31Å; R422-S426 WeakPolarHBondContact O-CB 3.45Å; R422-S426 PolarHBondContact O-N 2.73Å; R422-S426 PolarHBondContact O-OG 2.77Å; R422-P527 HydrophobicContact CB-CB 4.02Å; R422-P527 HydrophobicContact CB-CG 4.43Å; R422-E529 VanDerWaalsContact CD-OE2 3.25Å; R422-E529 WeakPolarHBondContact CD-OE2 3.44Å; R422-E529 IonicContact NH1-OE1 3.12Å; R422-E529 PolarHBondContact NH1-OE1 3.45Å; R422-E529 IonicContact NH1-OE2 2.66Å
423	V	92.3	Very high	92.4	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.9	-44.6	176.2	173.6	0	0	0	0	111.7	V162 L170 V173 S419 L420 K421 R427 V429 P527	V162-V423 HydrophobicContact CB-CG1 4.44Å; V162-V423 HydrophobicContact CG1-CG1 4.2Å; V162-V423 HydrophobicContact CG2-CG1 3.35Å; L170-V423 HydrophobicContact CD2-CG1 3.87Å; V173-V423 HydrophobicContact CG1-CG2 3.8Å; V173-V423 HydrophobicContact CG2-CG1 4.41Å; V173-V423 HydrophobicContact CG2-CG2 4.06Å; S419-V423 WeakPolarHBondContact O-CG2 3.17Å; S419-V423 PolarHBondContact O-N 2.96Å; S419-V423 VanDerWaalsContact O-N 3.12Å; L420-V423 PolarHBondContact O-N 2.86Å; K421-V423 VanDerWaalsContact C-N 3.31Å; K421-V423 PolarHBondContact O-N 2.93Å; V423-R427 WeakPolarHBondContact O-CA 3.5Å; V423-R427 PolarHBondContact O-N 3.23Å; V423-V429 HydrophobicContact CB-CG1 4.31Å; V423-V429 HydrophobicContact CG1-CG1 3.57Å; V423-V429 HydrophobicContact CG2-CG1 3.73Å; V423-P527 HydrophobicContact CG2-CB 3.68Å; V423-P527 HydrophobicContact CG2-CG 3.75Å
424	L	90.7	Very high	92.4	Very high	35 Å²	35	26 Å²	26	18%	0.183	13%	0.125	C	C	.	.	H	α-helix	trans	-69.9	-32.6	-179.8	-68.2	169.8	0	0	0	112.9	L170 L198 Y211 L420 K421	L170-L424 HydrophobicContact CD1-CD2 3.99Å; L170-L424 HydrophobicContact CD2-CD2 3.84Å; L170-L424 HydrophobicContact CD2-CG 4.34Å; L198-L424 HydrophobicContact CB-CD1 4.5Å; Y211-L424 HydrophobicContact CD1-CD1 4.02Å; Y211-L424 HydrophobicContact CD2-CB 3.86Å; Y211-L424 HydrophobicContact CD2-CD1 4.45Å; Y211-L424 HydrophobicContact CE1-CB 4.48Å; Y211-L424 HydrophobicContact CE1-CD1 3.76Å; Y211-L424 HydrophobicContact CE2-CB 3.47Å; Y211-L424 VanDerWaalsContact CE2-CB 3.47Å; Y211-L424 HydrophobicContact CE2-CD1 4.26Å; Y211-L424 HydrophobicContact CE2-CG 4.43Å; Y211-L424 HydrophobicContact CG-CD1 4.34Å; L420-L424 WeakPolarHBondContact O-CB 3.43Å; L420-L424 WeakPolarHBondContact O-CG 3.45Å; L420-L424 PolarHBondContact O-N 3.15Å; K421-L424 PolarHBondContact O-N 3.39Å
425	E	89.6	Confident	92.5	Very high	69 Å²	69	22.6 Å²	22.6	32%	0.322	11%	0.109	S	C	.	.	H	α-helix	trans	-77	-39.1	177	-71.2	178.3	173.4	0	0	112.4	Y211 K421	Y211-E425 HydrophobicContact CD2-CG 4.06Å; Y211-E425 PolarHBondContact N-OE1 3.22Å; K421-E425 VanDerWaalsContact CE-CD 3.47Å; K421-E425 WeakPolarHBondContact CE-OE1 3.49Å; K421-E425 VanDerWaalsContact CE-OE2 3.27Å; K421-E425 WeakPolarHBondContact CE-OE2 3.27Å; K421-E425 HydrophobicContact CG-CG 4.39Å; K421-E425 WeakPolarHBondContact O-CB 3.24Å; K421-E425 WeakPolarHBondContact O-CG 3.43Å; K421-E425 PolarHBondContact O-N 3Å
426	S	88.9	Confident	92.7	Very high	41 Å²	41	22.5 Å²	22.5	29%	0.287	11%	0.109	S	C	.	.	H	α-helix	trans	-93	-21.3	-177.1	66.8	0	0	0	0	114.9	R422 K428	R422-S426 VanDerWaalsContact O-CB 3.31Å; R422-S426 WeakPolarHBondContact O-CB 3.45Å; R422-S426 PolarHBondContact O-N 2.73Å; R422-S426 PolarHBondContact O-OG 2.77Å; S426-K428 PolarHBondContact O-N 3.43Å; S426-K428 VanDerWaalsContact O-N 3.17Å; S426-K428 PolarHBondContact OG-N 3.33Å
427	R	88.9	Confident	92.9	Very high	113 Å²	113	23.2 Å²	23.2	43%	0.426	11%	0.112	S	C	.	.			trans	54.5	20.8	-171.5	-56.5	-167.7	-177.1	-163.1	3.4	115.3	N161 V162 D163 V423	N161-R427 PolarHBondContact OD1-O 3.32Å; V162-R427 VanDerWaalsContact CG2-C 3.43Å; V162-R427 WeakPolarHBondContact CG2-O 3.47Å; V162-R427 PolarHBondContact N-O 2.98Å; D163-R427 IonicContact OD1-NH1 2.95Å; D163-R427 PolarHBondContact OD1-NH1 3.11Å; D163-R427 IonicContact OD2-CZ 2.59Å; D163-R427 IonicContact OD2-NH1 3.95Å; D163-R427 PolarHBondContact OD2-NH1 2.96Å; V423-R427 WeakPolarHBondContact O-CA 3.5Å; V423-R427 PolarHBondContact O-N 3.23Å
428	K	91.8	Very high	92.9	Very high	90 Å²	90	23.2 Å²	23.2	39%	0.391	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.5	-175.7	-72.6	-178.9	171.6	-165.1	0	110.9	T159 S426 L528	T159-K428 HydrophobicContact CG2-CB 3.64Å; T159-K428 HydrophobicContact CG2-CD 3.78Å; T159-K428 HydrophobicContact CG2-CG 3.55Å; S426-K428 PolarHBondContact O-N 3.43Å; S426-K428 VanDerWaalsContact O-N 3.17Å; S426-K428 PolarHBondContact OG-N 3.33Å; K428-L528 HydrophobicContact CB-CB 4.1Å; K428-L528 HydrophobicContact CB-CD2 3.93Å; K428-L528 HydrophobicContact CD-CD2 3.85Å; K428-L528 PolarHBondContact O-N 2.94Å
429	V	94.4	Very high	93	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.012	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	159.4	173.7	-63.9	0	0	0	0	110.9	I160 V162 L165 V173 V423 F525 E526	I160-V429 HydrophobicContact CB-CG2 4.05Å; I160-V429 PolarHBondContact N-O 3.4Å; I160-V429 PolarHBondContact O-N 3.16Å; V162-V429 HydrophobicContact CG2-CG1 3.79Å; L165-V429 HydrophobicContact CD1-CG2 3.61Å; V173-V429 HydrophobicContact CG2-CG1 3.9Å; V423-V429 HydrophobicContact CB-CG1 4.31Å; V423-V429 HydrophobicContact CG1-CG1 3.57Å; V423-V429 HydrophobicContact CG2-CG1 3.73Å; V429-F525 HydrophobicContact CB-CB 4.39Å; V429-F525 HydrophobicContact CG2-CD1 4.15Å; V429-F525 HydrophobicContact CG2-CG 4.42Å; V429-E526 WeakPolarHBondContact CA-O 3.47Å
430	V	94.9	Very high	93.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	162.3	172.4	-62	0	0	0	0	109.3	L158 V436 F525 E526 L528 K531	L158-V430 WeakPolarHBondContact O-CG1 3.35Å; V430-V436 HydrophobicContact CB-CG2 3.73Å; V430-V436 HydrophobicContact CG1-CG2 4.5Å; V430-V436 HydrophobicContact CG2-CG2 3.87Å; V430-F525 WeakPolarHBondContact O-CA 3.35Å; V430-E526 HydrophobicContact CG2-CB 4.25Å; V430-E526 PolarHBondContact N-O 3.41Å; V430-E526 PolarHBondContact O-N 3.16Å; V430-L528 HydrophobicContact CG1-CB 4.03Å; V430-L528 HydrophobicContact CG1-CD1 3.49Å; V430-L528 VanDerWaalsContact CG1-CD1 3.49Å; V430-L528 HydrophobicContact CG1-CG 4.33Å; V430-K531 HydrophobicContact CG2-CG 3.86Å
431	V	94.2	Very high	93.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	127.4	179.8	-179.7	0	0	0	0	110.1	I160 V436 W506 N519 K520 F525	I160-V431 HydrophobicContact CD1-CG2 3.85Å; V431-V436 WeakPolarHBondContact O-CG2 3.47Å; V431-W506 HydrophobicContact CB-CE3 4.1Å; V431-W506 HydrophobicContact CG1-CB 4.48Å; V431-W506 HydrophobicContact CG2-CB 4.17Å; V431-W506 HydrophobicContact CG2-CD2 3.93Å; V431-W506 HydrophobicContact CG2-CE3 3.41Å; V431-W506 VanDerWaalsContact CG2-CE3 3.41Å; V431-W506 HydrophobicContact CG2-CG 4.26Å; V431-W506 HydrophobicContact CG2-CZ3 4.09Å; V431-N519 HydrophobicContact CG1-CB 3.24Å; V431-K520 HydrophobicContact CG2-CB 4.1Å; V431-F525 HydrophobicContact CG2-CD1 4.47Å; V431-F525 HydrophobicContact CG2-CE1 4.27Å
432	G	94	Very high	93.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-160.7	-178.6	0	0	0	0	0	113.9	S435 N519 I524 E526	G432-S435 WeakPolarHBondContact O-CB 3.31Å; G432-N519 PolarHBondContact O-ND2 2.9Å; G432-N519 VanDerWaalsContact O-ND2 3.17Å; G432-I524 PolarHBondContact N-O 3.46Å; G432-E526 WeakPolarHBondContact CA-OE1 3.36Å
433	G	92.3	Very high	93.3	Very high	15 Å²	15	21.3 Å²	21.3	16%	0.155	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	35.9	176.1	0	0	0	0	0	114	S435 L509	G433-S435 PolarHBondContact O-N 3.03Å; G433-L509 PolarHBondContact O-N 2.82Å
434	G	93.8	Very high	93.4	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.01	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	3.4	178.3	0	0	0	0	0	115.3	E437 M438	G434-E437 VanDerWaalsContact CA-OE2 3.27Å; G434-E437 WeakPolarHBondContact CA-OE2 2.96Å; G434-M438 PolarHBondContact O-N 2.93Å; G434-M438 VanDerWaalsContact O-N 3.17Å
435	S	94.6	Very high	93.5	Very high	2 Å²	2	23 Å²	23	1%	0.014	11%	0.111	C	C	.	.	H	α-helix	trans	-64.3	-51.5	-179	-172.3	0	0	0	0	111.8	G432 G433 E437 M438 A439 A507	G432-S435 WeakPolarHBondContact O-CB 3.31Å; G433-S435 PolarHBondContact O-N 3.03Å; S435-E437 PolarHBondContact O-N 3.24Å; S435-M438 PolarHBondContact O-N 3.33Å; S435-A439 WeakPolarHBondContact O-CB 3.36Å; S435-A439 PolarHBondContact O-N 3.48Å; S435-A507 WeakPolarHBondContact CA-O 3.3Å; S435-A507 WeakPolarHBondContact CB-O 3.21Å; S435-A507 PolarHBondContact OG-O 2.75Å
436	V	95.1	Very high	93.6	Very high	6 Å²	6	23.5 Å²	23.5	4%	0.036	12%	0.116	C	C	.	.	H	α-helix	trans	-62.7	-42.4	-178	169	0	0	0	0	111.7	M154 L158 V430 V431 T440 K531	M154-V436 HydrophobicContact CE-CG1 3.46Å; M154-V436 VanDerWaalsContact CE-CG1 3.46Å; M154-V436 HydrophobicContact CG-CG1 4.22Å; M154-V436 HydrophobicContact SD-CG1 4.01Å; L158-V436 HydrophobicContact CD1-CB 4.5Å; L158-V436 HydrophobicContact CD1-CG1 4.21Å; L158-V436 HydrophobicContact CD1-CG2 4.39Å; V430-V436 HydrophobicContact CB-CG2 3.73Å; V430-V436 HydrophobicContact CG1-CG2 4.5Å; V430-V436 HydrophobicContact CG2-CG2 3.87Å; V431-V436 WeakPolarHBondContact O-CG2 3.47Å; V436-T440 VanDerWaalsContact O-CB 3.26Å; V436-T440 WeakPolarHBondContact O-CB 3.23Å; V436-T440 PolarHBondContact O-N 2.99Å; V436-T440 PolarHBondContact O-OG1 3.47Å; V436-K531 HydrophobicContact CG1-CG 4.49Å
437	E	95.9	Very high	93.8	Very high	16 Å²	16	24 Å²	24	8%	0.075	11%	0.113	C	C	.	.	H	α-helix	trans	-65.1	-42.4	-179.9	-65.6	83.7	176.2	0	0	111.3	G434 S435 S441 I469 K531	G434-E437 VanDerWaalsContact CA-OE2 3.27Å; G434-E437 WeakPolarHBondContact CA-OE2 2.96Å; S435-E437 PolarHBondContact O-N 3.24Å; E437-S441 VanDerWaalsContact O-CB 3.29Å; E437-S441 WeakPolarHBondContact O-CB 3.44Å; E437-S441 PolarHBondContact O-N 3.23Å; E437-I469 HydrophobicContact CG-CB 3.98Å; E437-I469 HydrophobicContact CG-CG1 4.17Å; E437-I469 HydrophobicContact CG-CG2 4.26Å; E437-K531 WeakPolarHBondContact OE1-CE 3.29Å; E437-K531 IonicContact OE1-NZ 3.9Å; E437-K531 PolarHBondContact OE1-NZ 3.41Å; E437-K531 IonicContact OE2-NZ 3.58Å
438	M	95.6	Very high	93.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-68.7	-47.2	176.1	-171.5	59.6	67.8	0	0	112	G434 S435 T440 S441 V442 I467 P470 I485 L488 R489 H492	G434-M438 PolarHBondContact O-N 2.93Å; G434-M438 VanDerWaalsContact O-N 3.17Å; S435-M438 PolarHBondContact O-N 3.33Å; M438-T440 VanDerWaalsContact C-N 3.26Å; M438-T440 PolarHBondContact O-N 3.13Å; M438-S441 WeakPolarHBondContact O-CB 3.24Å; M438-S441 PolarHBondContact O-N 3.21Å; M438-S441 VanDerWaalsContact O-N 3.13Å; M438-V442 HydrophobicContact CG-CG2 4.45Å; M438-V442 WeakPolarHBondContact O-CG2 3.45Å; M438-V442 PolarHBondContact O-N 2.93Å; M438-V442 HydrophobicContact SD-CG2 4.29Å; M438-I467 HydrophobicContact CE-CD1 4.47Å; M438-I467 HydrophobicContact CE-CG1 4.15Å; M438-I467 HydrophobicContact CE-CG2 4.05Å; M438-I467 HydrophobicContact SD-CD1 4.47Å; M438-I467 HydrophobicContact SD-CG1 4.33Å; M438-P470 HydrophobicContact CE-CG 4.32Å; M438-I485 HydrophobicContact CE-CD1 4.31Å; M438-I485 HydrophobicContact CE-CG2 3.89Å; M438-L488 HydrophobicContact CB-CD2 3.76Å; M438-L488 HydrophobicContact CB-CG 3.98Å; M438-L488 HydrophobicContact CE-CB 4.5Å; M438-L488 HydrophobicContact CE-CD2 4.12Å; M438-L488 HydrophobicContact CE-CG 4.48Å; M438-L488 HydrophobicContact CG-CB 4.47Å; M438-L488 HydrophobicContact CG-CD2 4.08Å; M438-L488 HydrophobicContact CG-CG 3.86Å; M438-R489 HydrophobicContact CE-CB 4.3Å; M438-R489 HydrophobicContact SD-CB 3.75Å; M438-R489 HydrophobicContact SD-CG 4.03Å; M438-H492 HydrophobicContact CG-CB 4.3Å
439	A	94	Very high	93.7	Very high	1 Å²	1	21 Å²	21	1%	0.008	11%	0.111	C	C	.	.	H	α-helix	trans	-56.7	-43.4	178.6	0	0	0	0	0	111.6	Y153 L158 S435 F443 H492	Y153-A439 HydrophobicContact CE1-CB 4.34Å; L158-A439 HydrophobicContact CD1-CB 3.92Å; L158-A439 HydrophobicContact CD2-CB 3.99Å; S435-A439 WeakPolarHBondContact O-CB 3.36Å; S435-A439 PolarHBondContact O-N 3.48Å; A439-F443 WeakPolarHBondContact O-CB 3.36Å; A439-F443 PolarHBondContact O-N 2.68Å; A439-F443 VanDerWaalsContact O-N 3.09Å; A439-H492 WeakPolarHBondContact CB-ND1 3.43Å
440	T	95	Very high	93.4	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.018	14%	0.138	C	C	.	.	H	α-helix	trans	-70	-38.1	178.6	-52.6	0	0	0	0	111.5	S150 V436 M438 F443 L444 L466	S150-T440 WeakPolarHBondContact OG-CG2 3.49Å; V436-T440 VanDerWaalsContact O-CB 3.26Å; V436-T440 WeakPolarHBondContact O-CB 3.23Å; V436-T440 PolarHBondContact O-N 2.99Å; V436-T440 PolarHBondContact O-OG1 3.47Å; M438-T440 VanDerWaalsContact C-N 3.26Å; M438-T440 PolarHBondContact O-N 3.13Å; T440-F443 PolarHBondContact O-N 3.34Å; T440-L444 HydrophobicContact CG2-CD1 4.41Å; T440-L444 HydrophobicContact CG2-CG 4.38Å; T440-L444 WeakPolarHBondContact O-CB 3.38Å; T440-L444 WeakPolarHBondContact O-CG 3.3Å; T440-L444 PolarHBondContact O-N 3.43Å; T440-L466 HydrophobicContact CG2-CD1 3.73Å
441	S	95.6	Very high	93	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.014	15%	0.146	C	C	.	.	H	α-helix	trans	-58.1	-52.1	174.6	-179.4	0	0	0	0	111.7	E437 M438 F443 L444 E445 A463 I467	E437-S441 VanDerWaalsContact O-CB 3.29Å; E437-S441 WeakPolarHBondContact O-CB 3.44Å; E437-S441 PolarHBondContact O-N 3.23Å; M438-S441 WeakPolarHBondContact O-CB 3.24Å; M438-S441 PolarHBondContact O-N 3.21Å; M438-S441 VanDerWaalsContact O-N 3.13Å; S441-F443 VanDerWaalsContact C-N 3.34Å; S441-F443 PolarHBondContact O-N 3.49Å; S441-L444 PolarHBondContact O-N 3.08Å; S441-E445 PolarHBondContact O-N 3.26Å; S441-A463 WeakPolarHBondContact CB-O 3.16Å; S441-A463 WeakPolarHBondContact O-CB 3.29Å; S441-A463 PolarHBondContact OG-O 2.97Å; S441-I467 WeakPolarHBondContact OG-CG1 3.11Å
442	V	94.1	Very high	92	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.03	19%	0.19	C	C	.	.	H	α-helix	trans	-63.8	-39.8	-179.9	-177.8	0	0	0	0	111.5	M438 E445 N446 R489 H492 A493 I496	M438-V442 HydrophobicContact CG-CG2 4.45Å; M438-V442 WeakPolarHBondContact O-CG2 3.45Å; M438-V442 PolarHBondContact O-N 2.93Å; M438-V442 HydrophobicContact SD-CG2 4.29Å; V442-E445 PolarHBondContact O-N 3.27Å; V442-N446 PolarHBondContact O-N 2.95Å; V442-N446 PolarHBondContact O-ND2 3.19Å; V442-R489 HydrophobicContact CG2-CG 3.99Å; V442-H492 HydrophobicContact CG2-CB 4.11Å; V442-A493 HydrophobicContact CG1-CB 4Å; V442-I496 HydrophobicContact CB-CD1 4.29Å; V442-I496 HydrophobicContact CG1-CD1 3.59Å
443	F	94	Very high	91.4	Very high	46 Å²	46	35.6 Å²	35.6	20%	0.202	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-49.1	173.8	165	-102.8	0	0	0	111.9	E149 Y153 A439 T440 S441 E445 N446 F447	E149-F443 HydrophobicContact CB-CE1 4.18Å; Y153-F443 HydrophobicContact CD1-CB 4.08Å; Y153-F443 HydrophobicContact CD1-CD1 4.12Å; Y153-F443 HydrophobicContact CD1-CG 4.08Å; Y153-F443 HydrophobicContact CD2-CB 4.21Å; Y153-F443 HydrophobicContact CD2-CD1 4.03Å; Y153-F443 AromaticContact CD2-CD2 3.59Å; Y153-F443 HydrophobicContact CD2-CD2 3.59Å; Y153-F443 HydrophobicContact CD2-CE1 4.33Å; Y153-F443 AromaticContact CD2-CE2 3.91Å; Y153-F443 HydrophobicContact CD2-CE2 3.91Å; Y153-F443 AromaticContact CD2-CG 3.65Å; Y153-F443 HydrophobicContact CD2-CG 3.65Å; Y153-F443 HydrophobicContact CD2-CZ 4.27Å; Y153-F443 HydrophobicContact CE1-CB 3.92Å; Y153-F443 HydrophobicContact CE1-CG 4.33Å; Y153-F443 HydrophobicContact CE2-CB 4.1Å; Y153-F443 AromaticContact CE2-CD2 3.84Å; Y153-F443 HydrophobicContact CE2-CD2 3.84Å; Y153-F443 AromaticContact CE2-CG 3.97Å; Y153-F443 HydrophobicContact CE2-CG 3.97Å; Y153-F443 HydrophobicContact CG-CB 4.22Å; Y153-F443 AromaticContact CG-CD1 3.7Å; Y153-F443 HydrophobicContact CG-CD1 3.7Å; Y153-F443 HydrophobicContact CG-CD2 4.13Å; Y153-F443 HydrophobicContact CG-CE1 4.08Å; Y153-F443 HydrophobicContact CG-CE2 4.47Å; Y153-F443 AromaticContact CG-CG 3.73Å; Y153-F443 HydrophobicContact CG-CG 3.73Å; Y153-F443 HydrophobicContact CG-CZ 4.45Å; A439-F443 WeakPolarHBondContact O-CB 3.36Å; A439-F443 PolarHBondContact O-N 2.68Å; A439-F443 VanDerWaalsContact O-N 3.09Å; T440-F443 PolarHBondContact O-N 3.34Å; S441-F443 VanDerWaalsContact C-N 3.34Å; S441-F443 PolarHBondContact O-N 3.49Å; F443-E445 VanDerWaalsContact C-N 3.32Å; F443-E445 PolarHBondContact O-N 3.16Å; F443-N446 PolarHBondContact O-N 3.32Å; F443-F447 HydrophobicContact CZ-CB 4.45Å; F443-F447 WeakPolarHBondContact O-CB 3.38Å; F443-F447 PolarHBondContact O-N 3.29Å
444	L	94.9	Very high	90.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.7	-36.3	-178.8	-77	-177.3	0	0	0	112.6	A146 E149 S150 T440 S441 F447 A448 L459 Y462 A463 L466	A146-L444 HydrophobicContact CB-CD1 4.2Å; A146-L444 HydrophobicContact CB-CD2 4.32Å; E149-L444 HydrophobicContact CB-CD2 4.42Å; S150-L444 WeakPolarHBondContact OG-CD1 3.44Å; T440-L444 HydrophobicContact CG2-CD1 4.41Å; T440-L444 HydrophobicContact CG2-CG 4.38Å; T440-L444 WeakPolarHBondContact O-CB 3.38Å; T440-L444 WeakPolarHBondContact O-CG 3.3Å; T440-L444 PolarHBondContact O-N 3.43Å; S441-L444 PolarHBondContact O-N 3.08Å; L444-F447 PolarHBondContact O-N 3.13Å; L444-A448 WeakPolarHBondContact O-CB 3.36Å; L444-A448 PolarHBondContact O-N 3.5Å; L444-L459 HydrophobicContact CD2-CD2 4Å; L444-Y462 HydrophobicContact CD1-CD1 3.59Å; L444-Y462 HydrophobicContact CD1-CE1 4.18Å; L444-A463 HydrophobicContact CB-CB 3.77Å; L444-A463 HydrophobicContact CD1-CB 4.42Å; L444-L466 HydrophobicContact CD1-CD1 3.86Å
445	E	92.9	Very high	90.4	Very high	70 Å²	70	44 Å²	44	33%	0.327	24%	0.24	S	C	.	.	H	α-helix	trans	-62.7	-45.2	176.7	-172.3	176.3	-158.4	0	0	111.3	S441 V442 F443 A448 A463 R489	S441-E445 PolarHBondContact O-N 3.26Å; V442-E445 PolarHBondContact O-N 3.27Å; F443-E445 VanDerWaalsContact C-N 3.32Å; F443-E445 PolarHBondContact O-N 3.16Å; E445-A448 WeakPolarHBondContact O-CB 3.43Å; E445-A448 PolarHBondContact O-N 2.82Å; E445-A463 HydrophobicContact CB-CB 4.48Å; E445-R489 IonicContact OE1-NH2 3.07Å; E445-R489 PolarHBondContact OE1-NH2 3.17Å; E445-R489 IonicContact OE2-CZ 3.32Å; E445-R489 IonicContact OE2-NE 3.03Å; E445-R489 IonicContact OE2-NH2 3.62Å; E445-R489 PolarHBondContact OE2-NH2 3.06Å
446	N	91	Very high	90.2	Very high	80 Å²	80	47.4 Å²	47.4	43%	0.428	26%	0.255	S	S	.	.	H	α-helix	trans	-64.9	-40.9	174	-72.8	-33.7	0	0	0	111.9	V442 F443 A448 N449 I496	V442-N446 PolarHBondContact O-N 2.95Å; V442-N446 PolarHBondContact O-ND2 3.19Å; F443-N446 PolarHBondContact O-N 3.32Å; N446-A448 VanDerWaalsContact C-N 3.32Å; N446-A448 PolarHBondContact O-N 3.45Å; N446-N449 PolarHBondContact O-N 3.01Å; N446-I496 WeakPolarHBondContact ND2-CD1 3.24Å
447	F	92	Very high	90	Very high	51 Å²	51	49.9 Å²	49.9	22%	0.224	27%	0.268	C	S	.	.	H	α-helix	trans	-65.5	-35.5	177.3	-176.8	-104.7	0	0	0	112.1	L145 E149 F443 L444 N449 S450 V451 L459	L145-F447 HydrophobicContact CD2-CE1 4.45Å; L145-F447 HydrophobicContact CG-CE1 4.41Å; E149-F447 HydrophobicContact CB-CE1 4.43Å; E149-F447 HydrophobicContact CG-CD1 4.36Å; E149-F447 HydrophobicContact CG-CE1 3.73Å; E149-F447 HydrophobicContact CG-CZ 3.86Å; F443-F447 HydrophobicContact CZ-CB 4.45Å; F443-F447 WeakPolarHBondContact O-CB 3.38Å; F443-F447 PolarHBondContact O-N 3.29Å; L444-F447 PolarHBondContact O-N 3.13Å; F447-N449 PolarHBondContact O-N 3.48Å; F447-S450 WeakPolarHBondContact O-CB 3.35Å; F447-S450 PolarHBondContact O-N 2.9Å; F447-S450 PolarHBondContact O-OG 3.13Å; F447-V451 HydrophobicContact CD1-CG2 4.35Å; F447-V451 HydrophobicContact CE1-CG2 3.87Å; F447-V451 HydrophobicContact CZ-CG2 4.15Å; F447-L459 HydrophobicContact CD1-CD1 4.44Å; F447-L459 HydrophobicContact CD1-CD2 3.9Å; F447-L459 HydrophobicContact CE1-CD1 4.39Å; F447-L459 HydrophobicContact CE1-CD2 4.32Å
448	A	91.2	Very high	89.8	Confident	5 Å²	5	49.1 Å²	49.1	4%	0.041	27%	0.265	C	S	.	.	H	α-helix	trans	-58.1	-37.1	177.7	0	0	0	0	0	111.8	L444 E445 N446 S450 V451 L459	L444-A448 WeakPolarHBondContact O-CB 3.36Å; L444-A448 PolarHBondContact O-N 3.5Å; E445-A448 WeakPolarHBondContact O-CB 3.43Å; E445-A448 PolarHBondContact O-N 2.82Å; N446-A448 VanDerWaalsContact C-N 3.32Å; N446-A448 PolarHBondContact O-N 3.45Å; A448-S450 PolarHBondContact O-N 3.36Å; A448-V451 PolarHBondContact O-N 3.47Å; A448-V451 VanDerWaalsContact O-N 3.13Å; A448-L459 HydrophobicContact CB-CB 3.9Å
449	N	87.8	Confident	89.7	Confident	137 Å²	137	49.1 Å²	49.1	73%	0.733	27%	0.265	S	S	*	.	H	α-helix	trans	-66.3	-22.6	176.8	-67	-34.1	0	0	0	113.5	N446 F447 V451	N446-N449 PolarHBondContact O-N 3.01Å; F447-N449 PolarHBondContact O-N 3.48Å; N449-V451 VanDerWaalsContact C-N 3.35Å
450	S	88.2	Confident	89.7	Confident	83 Å²	83	51.1 Å²	51.1	58%	0.58	28%	0.282	S	S	*	.	H	α-helix	trans	-80.5	-17.1	175.7	76.7	0	0	0	0	113.3	F447 A448	F447-S450 WeakPolarHBondContact O-CB 3.35Å; F447-S450 PolarHBondContact O-N 2.9Å; F447-S450 PolarHBondContact O-OG 3.13Å; A448-S450 PolarHBondContact O-N 3.36Å
451	V	86.2	Confident	89.7	Confident	29 Å²	29	53.3 Å²	53.3	18%	0.176	29%	0.291	C	S	.	.			trans	-95	110.8	-176.1	179.3	0	0	0	0	109.8	F447 A448 N449 S453 H456 L459	F447-V451 HydrophobicContact CD1-CG2 4.35Å; F447-V451 HydrophobicContact CE1-CG2 3.87Å; F447-V451 HydrophobicContact CZ-CG2 4.15Å; A448-V451 PolarHBondContact O-N 3.47Å; A448-V451 VanDerWaalsContact O-N 3.13Å; N449-V451 VanDerWaalsContact C-N 3.35Å; V451-S453 VanDerWaalsContact C-N 3.3Å; V451-S453 PolarHBondContact O-N 2.91Å; V451-H456 WeakPolarHBondContact O-CB 3.34Å; V451-L459 HydrophobicContact CB-CD1 4.29Å; V451-L459 HydrophobicContact CG1-CD1 4.39Å; V451-L459 HydrophobicContact CG2-CD1 3.97Å
452	S	74.3	Confident	89.7	Confident	130 Å²	130	53.2 Å²	53.2	91%	0.909	29%	0.291	S	S	*	.			trans	-76.2	-10.6	-179.1	57.8	0	0	0	0	115.1
453	S	80.1	Confident	89.8	Confident	66 Å²	66	53 Å²	53	46%	0.462	29%	0.29	S	S	.	.	S	Bend	trans	-76.6	157.4	-177.5	177.2	0	0	0	0	112.6	V451 A455 H456	V451-S453 VanDerWaalsContact C-N 3.3Å; V451-S453 PolarHBondContact O-N 2.91Å; S453-A455 PolarHBondContact O-N 3Å; S453-A455 PolarHBondContact OG-N 3.29Å; S453-H456 WeakPolarHBondContact O-CB 3.01Å; S453-H456 PolarHBondContact O-N 3.18Å; S453-H456 PolarHBondContact O-ND1 3.29Å
454	R	82.9	Confident	89.9	Confident	184 Å²	184	53.4 Å²	53.4	69%	0.694	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-16.5	168.3	-69.8	-172.2	179.5	179.8	0.2	113.5	I138 H456 L457	I138-R454 HydrophobicContact CD1-CB 4.38Å; I138-R454 HydrophobicContact CG2-CB 3.76Å; I138-R454 WeakPolarHBondContact CG2-O 3.38Å; R454-H456 PolarHBondContact O-N 3.29Å; R454-L457 PolarHBondContact O-N 3.45Å
455	A	84	Confident	90	Very high	8 Å²	8	53.4 Å²	53.4	7%	0.066	29%	0.292	C	S	.	.	H	α-helix	trans	-60.4	-20.1	170.7	0	0	0	0	0	113.6	S453 L457 G458 L459	S453-A455 PolarHBondContact O-N 3Å; S453-A455 PolarHBondContact OG-N 3.29Å; A455-L457 PolarHBondContact O-N 3.03Å; A455-G458 PolarHBondContact O-N 3.4Å; A455-G458 VanDerWaalsContact O-N 3.09Å; A455-L459 PolarHBondContact O-N 3.1Å; A455-L459 VanDerWaalsContact O-N 3.13Å
456	H	90	Very high	90.2	Very high	73 Å²	73	50.2 Å²	50.2	34%	0.338	28%	0.278	S	S	.	.	H	α-helix	trans	-57.1	-35.6	176.1	78.7	-77.4	0	0	0	112.6	V451 S453 R454 G458 L459 A460	V451-H456 WeakPolarHBondContact O-CB 3.34Å; S453-H456 WeakPolarHBondContact O-CB 3.01Å; S453-H456 PolarHBondContact O-N 3.18Å; S453-H456 PolarHBondContact O-ND1 3.29Å; R454-H456 PolarHBondContact O-N 3.29Å; H456-G458 VanDerWaalsContact C-N 3.32Å; H456-G458 PolarHBondContact O-N 2.96Å; H456-L459 WeakPolarHBondContact O-CB 3.34Å; H456-L459 PolarHBondContact O-N 3.31Å; H456-L459 VanDerWaalsContact O-N 3.12Å; H456-A460 PolarHBondContact O-N 2.96Å
457	L	90.7	Very high	90.4	Very high	58 Å²	58	46.6 Å²	46.6	30%	0.304	26%	0.258	S	S	.	.	H	α-helix	trans	-60.2	-44	176.5	-64.2	174.8	0	0	0	111.2	L129 V134 R454 A455 L459 A460 E461	L129-L457 HydrophobicContact CD1-CB 4.48Å; L129-L457 HydrophobicContact CD2-CB 4.32Å; V134-L457 HydrophobicContact CG2-CD1 3.94Å; R454-L457 PolarHBondContact O-N 3.45Å; A455-L457 PolarHBondContact O-N 3.03Å; L457-L459 VanDerWaalsContact C-N 3.32Å; L457-L459 PolarHBondContact O-N 3.06Å; L457-A460 PolarHBondContact O-N 2.95Å; L457-E461 WeakPolarHBondContact O-CG 3.45Å; L457-E461 PolarHBondContact O-N 3.03Å; L457-E461 VanDerWaalsContact O-N 3.13Å
458	G	91.8	Very high	90.6	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-34.4	176	0	0	0	0	0	112.6	Y143 A455 H456 Y462	Y143-G458 VanDerWaalsContact CD1-O 3.26Å; Y143-G458 WeakPolarHBondContact CD1-O 3.32Å; Y143-G458 WeakPolarHBondContact CE1-O 3.5Å; A455-G458 PolarHBondContact O-N 3.4Å; A455-G458 VanDerWaalsContact O-N 3.09Å; H456-G458 VanDerWaalsContact C-N 3.32Å; H456-G458 PolarHBondContact O-N 2.96Å; G458-Y462 VanDerWaalsContact O-CB 3.29Å; G458-Y462 WeakPolarHBondContact O-CB 3.49Å; G458-Y462 PolarHBondContact O-N 3.37Å
459	L	93.8	Very high	90.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.6	-47.4	175.5	-95.8	151.2	0	0	0	112.2	L145 A146 L444 F447 A448 V451 A455 H456 L457 Y462 A463	L145-L459 HydrophobicContact CD2-CD1 3.94Å; L145-L459 HydrophobicContact CG-CD1 4.41Å; A146-L459 HydrophobicContact CB-CD2 3.68Å; A146-L459 HydrophobicContact CB-CG 4.24Å; L444-L459 HydrophobicContact CD2-CD2 4Å; F447-L459 HydrophobicContact CD1-CD1 4.44Å; F447-L459 HydrophobicContact CD1-CD2 3.9Å; F447-L459 HydrophobicContact CE1-CD1 4.39Å; F447-L459 HydrophobicContact CE1-CD2 4.32Å; A448-L459 HydrophobicContact CB-CB 3.9Å; V451-L459 HydrophobicContact CB-CD1 4.29Å; V451-L459 HydrophobicContact CG1-CD1 4.39Å; V451-L459 HydrophobicContact CG2-CD1 3.97Å; A455-L459 PolarHBondContact O-N 3.1Å; A455-L459 VanDerWaalsContact O-N 3.13Å; H456-L459 WeakPolarHBondContact O-CB 3.34Å; H456-L459 PolarHBondContact O-N 3.31Å; H456-L459 VanDerWaalsContact O-N 3.12Å; L457-L459 VanDerWaalsContact C-N 3.32Å; L457-L459 PolarHBondContact O-N 3.06Å; L459-Y462 WeakPolarHBondContact O-CB 3.47Å; L459-Y462 PolarHBondContact O-N 3.37Å; L459-A463 PolarHBondContact O-N 3.19Å
460	A	93	Very high	91.2	Very high	43 Å²	43	37.8 Å²	37.8	36%	0.355	21%	0.213	S	C	.	.	H	α-helix	trans	-61.9	-45.8	179.5	0	0	0	0	0	111.6	H456 L457 Y462 A463 E464	H456-A460 PolarHBondContact O-N 2.96Å; L457-A460 PolarHBondContact O-N 2.95Å; A460-Y462 VanDerWaalsContact C-N 3.33Å; A460-Y462 PolarHBondContact O-N 2.77Å; A460-A463 WeakPolarHBondContact O-CB 3.44Å; A460-A463 PolarHBondContact O-N 3.09Å; A460-E464 PolarHBondContact O-N 3.12Å; A460-E464 VanDerWaalsContact O-N 3.1Å
461	E	94.6	Very high	91.6	Very high	48 Å²	48	37.8 Å²	37.8	22%	0.224	20%	0.2	C	C	.	.	H	α-helix	trans	-68.3	-32	177.4	-67.9	-57	161.4	0	0	113.1	F125 L129 L457 A463 E464 A465	F125-E461 HydrophobicContact CB-CB 4.03Å; F125-E461 WeakPolarHBondContact CD1-OE2 3.36Å; L129-E461 HydrophobicContact CD1-CB 4.19Å; L129-E461 HydrophobicContact CD1-CG 3.66Å; L129-E461 HydrophobicContact CD2-CG 3.87Å; L129-E461 HydrophobicContact CG-CG 3.77Å; L457-E461 WeakPolarHBondContact O-CG 3.45Å; L457-E461 PolarHBondContact O-N 3.03Å; L457-E461 VanDerWaalsContact O-N 3.13Å; E461-A463 VanDerWaalsContact C-N 3.32Å; E461-E464 PolarHBondContact O-N 3.42Å; E461-A465 WeakPolarHBondContact O-CB 3.29Å; E461-A465 PolarHBondContact O-N 3.29Å
462	Y	96.5	Very high	92	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64	-41	172.1	-165.4	-77.4	0	0	0	110.9	L122 Y143 A146 L444 G458 L459 A460 A465 L466 T539	L122-Y462 HydrophobicContact CD1-CE2 3.95Å; L122-Y462 HydrophobicContact CD2-CD2 3.3Å; L122-Y462 HydrophobicContact CD2-CE2 3.52Å; L122-Y462 HydrophobicContact CD2-CG 3.89Å; L122-Y462 HydrophobicContact CG-CE2 4.41Å; Y143-Y462 AromaticContact CD1-CD2 3.75Å; Y143-Y462 HydrophobicContact CD1-CD2 3.75Å; Y143-Y462 HydrophobicContact CD1-CG 4.39Å; Y143-Y462 HydrophobicContact CD2-CD2 4.3Å; Y143-Y462 HydrophobicContact CE1-CD2 4.26Å; Y143-Y462 AromaticContact CG-CD2 3.77Å; Y143-Y462 HydrophobicContact CG-CD2 3.77Å; Y143-Y462 HydrophobicContact CG-CE2 4.44Å; A146-Y462 HydrophobicContact CB-CD1 3.68Å; A146-Y462 HydrophobicContact CB-CD2 3.95Å; A146-Y462 HydrophobicContact CB-CE1 4.23Å; A146-Y462 HydrophobicContact CB-CE2 4.47Å; A146-Y462 HydrophobicContact CB-CG 3.53Å; L444-Y462 HydrophobicContact CD1-CD1 3.59Å; L444-Y462 HydrophobicContact CD1-CE1 4.18Å; G458-Y462 VanDerWaalsContact O-CB 3.29Å; G458-Y462 WeakPolarHBondContact O-CB 3.49Å; G458-Y462 PolarHBondContact O-N 3.37Å; L459-Y462 WeakPolarHBondContact O-CB 3.47Å; L459-Y462 PolarHBondContact O-N 3.37Å; A460-Y462 VanDerWaalsContact C-N 3.33Å; A460-Y462 PolarHBondContact O-N 2.77Å; Y462-A465 WeakPolarHBondContact O-CB 3.49Å; Y462-A465 PolarHBondContact O-N 2.93Å; Y462-L466 HydrophobicContact CD1-CD1 4.29Å; Y462-L466 HydrophobicContact CD1-CG 4.33Å; Y462-L466 HydrophobicContact CE1-CD1 4.27Å; Y462-L466 HydrophobicContact CE1-CD2 4.17Å; Y462-L466 HydrophobicContact CE1-CG 4.26Å; Y462-L466 PolarHBondContact O-N 3.25Å; Y462-T539 HydrophobicContact CE2-CG2 4.21Å; Y462-T539 WeakPolarHBondContact CE2-OG1 3.49Å; Y462-T539 PolarHBondContact OH-OG1 3.13Å
463	A	95.9	Very high	93	Very high	2 Å²	2	31.2 Å²	31.2	2%	0.017	15%	0.154	C	C	.	.	H	α-helix	trans	-60.5	-44.3	175.8	0	0	0	0	0	111.6	S441 L444 E445 L459 A460 E461 A465 L466	S441-A463 WeakPolarHBondContact CB-O 3.16Å; S441-A463 WeakPolarHBondContact O-CB 3.29Å; S441-A463 PolarHBondContact OG-O 2.97Å; L444-A463 HydrophobicContact CB-CB 3.77Å; L444-A463 HydrophobicContact CD1-CB 4.42Å; E445-A463 HydrophobicContact CB-CB 4.48Å; L459-A463 PolarHBondContact O-N 3.19Å; A460-A463 WeakPolarHBondContact O-CB 3.44Å; A460-A463 PolarHBondContact O-N 3.09Å; E461-A463 VanDerWaalsContact C-N 3.32Å; A463-A465 VanDerWaalsContact C-N 3.35Å; A463-A465 PolarHBondContact O-N 3.32Å; A463-L466 PolarHBondContact O-N 3.47Å
464	E	95.7	Very high	93.7	Very high	54 Å²	54	28 Å²	28	25%	0.252	13%	0.132	S	C	.	.	H	α-helix	trans	-67.1	-35.4	177.3	-174.9	58.1	-140.8	0	0	112.2	F125 A460 E461 L466 I467 R471	F125-E464 HydrophobicContact CE1-CG 3.83Å; F125-E464 HydrophobicContact CE2-CB 4.46Å; F125-E464 HydrophobicContact CE2-CG 4.04Å; F125-E464 HydrophobicContact CZ-CB 4.22Å; F125-E464 HydrophobicContact CZ-CG 3.43Å; F125-E464 VanDerWaalsContact CZ-CG 3.43Å; A460-E464 PolarHBondContact O-N 3.12Å; A460-E464 VanDerWaalsContact O-N 3.1Å; E461-E464 PolarHBondContact O-N 3.42Å; E464-L466 VanDerWaalsContact C-N 3.27Å; E464-L466 PolarHBondContact O-N 3.35Å; E464-I467 WeakPolarHBondContact O-CB 3.35Å; E464-I467 PolarHBondContact O-N 2.94Å; E464-I467 VanDerWaalsContact O-N 3.16Å; E464-R471 IonicContact OE1-CZ 2.77Å; E464-R471 IonicContact OE1-NH1 3.11Å; E464-R471 IonicContact OE1-NH2 2.65Å; E464-R471 PolarHBondContact OE1-NH2 3.39Å
465	A	96.7	Very high	94.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.6	-33.7	176.1	0	0	0	0	0	113.1	E121 L122 F125 E461 Y462 A463 I467 A468	E121-A465 HydrophobicContact CB-CB 4.44Å; E121-A465 HydrophobicContact CG-CB 4.41Å; L122-A465 HydrophobicContact CD2-CB 3.65Å; L122-A465 HydrophobicContact CG-CB 4.18Å; F125-A465 HydrophobicContact CD2-CB 3.84Å; F125-A465 HydrophobicContact CE2-CB 4.24Å; E461-A465 WeakPolarHBondContact O-CB 3.29Å; E461-A465 PolarHBondContact O-N 3.29Å; Y462-A465 WeakPolarHBondContact O-CB 3.49Å; Y462-A465 PolarHBondContact O-N 2.93Å; A463-A465 VanDerWaalsContact C-N 3.35Å; A463-A465 PolarHBondContact O-N 3.32Å; A465-I467 PolarHBondContact O-N 3.22Å; A465-A468 WeakPolarHBondContact O-CB 3.38Å; A465-A468 PolarHBondContact O-N 2.97Å; A465-A468 VanDerWaalsContact O-N 3.13Å
466	L	96.9	Very high	94.7	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-63.5	-30.2	178.1	-67.3	173	0	0	0	112.6	L118 T440 L444 Y462 A463 E464 A468 I469 L535	L118-L466 HydrophobicContact CD1-CD2 3.99Å; L118-L466 HydrophobicContact CD2-CD2 4.42Å; T440-L466 HydrophobicContact CG2-CD1 3.73Å; L444-L466 HydrophobicContact CD1-CD1 3.86Å; Y462-L466 HydrophobicContact CD1-CD1 4.29Å; Y462-L466 HydrophobicContact CD1-CG 4.33Å; Y462-L466 HydrophobicContact CE1-CD1 4.27Å; Y462-L466 HydrophobicContact CE1-CD2 4.17Å; Y462-L466 HydrophobicContact CE1-CG 4.26Å; Y462-L466 PolarHBondContact O-N 3.25Å; A463-L466 PolarHBondContact O-N 3.47Å; E464-L466 VanDerWaalsContact C-N 3.27Å; E464-L466 PolarHBondContact O-N 3.35Å; L466-A468 PolarHBondContact O-N 2.82Å; L466-A468 VanDerWaalsContact O-N 3.08Å; L466-I469 PolarHBondContact O-N 3.06Å; L466-L535 HydrophobicContact CD2-CD2 3.54Å
467	I	96.3	Very high	94.8	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.015	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-14.3	178.5	-56.2	178.2	0	0	0	111.5	M438 S441 E464 A465 I469 P470 R471 I485	M438-I467 HydrophobicContact CE-CD1 4.47Å; M438-I467 HydrophobicContact CE-CG1 4.15Å; M438-I467 HydrophobicContact CE-CG2 4.05Å; M438-I467 HydrophobicContact SD-CD1 4.47Å; M438-I467 HydrophobicContact SD-CG1 4.33Å; S441-I467 WeakPolarHBondContact OG-CG1 3.11Å; E464-I467 WeakPolarHBondContact O-CB 3.35Å; E464-I467 PolarHBondContact O-N 2.94Å; E464-I467 VanDerWaalsContact O-N 3.16Å; A465-I467 PolarHBondContact O-N 3.22Å; I467-I469 VanDerWaalsContact C-N 3.29Å; I467-I469 PolarHBondContact O-N 3.31Å; I467-P470 HydrophobicContact CG2-CG 4.48Å; I467-P470 VanDerWaalsContact O-CD 3.29Å; I467-P470 WeakPolarHBondContact O-CD 3.38Å; I467-P470 WeakPolarHBondContact O-CG 3.26Å; I467-R471 WeakPolarHBondContact O-CB 3.5Å; I467-R471 PolarHBondContact O-N 3.15Å; I467-I485 HydrophobicContact CG2-CD1 4.28Å; I467-I485 HydrophobicContact CG2-CG2 3.73Å
468	A	95.8	Very high	94.8	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-55.5	-40.5	176.8	0	0	0	0	0	113.5	I117 E121 A465 L466 R471 V472	I117-A468 HydrophobicContact CG2-CB 4.41Å; E121-A468 HydrophobicContact CB-CB 3.95Å; E121-A468 HydrophobicContact CG-CB 3.82Å; A465-A468 WeakPolarHBondContact O-CB 3.38Å; A465-A468 PolarHBondContact O-N 2.97Å; A465-A468 VanDerWaalsContact O-N 3.13Å; L466-A468 PolarHBondContact O-N 2.82Å; L466-A468 VanDerWaalsContact O-N 3.08Å; A468-R471 PolarHBondContact O-N 3.11Å; A468-V472 WeakPolarHBondContact O-CB 3.42Å; A468-V472 WeakPolarHBondContact O-CG2 3.19Å; A468-V472 PolarHBondContact O-N 3.34Å
469	I	96	Very high	94.8	Very high	8 Å²	8	26 Å²	26	4%	0.041	16%	0.156	C	C	.	.	H	α-helix	trans	-64.7	-58.4	-178.1	-60.3	-58.8	0	0	0	111.7	L38 I117 E437 L466 I467 R471 V472 L473	L38-I469 HydrophobicContact CD2-CD1 4.25Å; L38-I469 HydrophobicContact CD2-CG2 4.35Å; I117-I469 HydrophobicContact CB-CD1 4.25Å; I117-I469 HydrophobicContact CG2-CD1 4.06Å; E437-I469 HydrophobicContact CG-CB 3.98Å; E437-I469 HydrophobicContact CG-CG1 4.17Å; E437-I469 HydrophobicContact CG-CG2 4.26Å; L466-I469 PolarHBondContact O-N 3.06Å; I467-I469 VanDerWaalsContact C-N 3.29Å; I467-I469 PolarHBondContact O-N 3.31Å; I469-R471 PolarHBondContact O-N 3.03Å; I469-V472 PolarHBondContact O-N 3.24Å; I469-L473 HydrophobicContact CG2-CD1 4.26Å; I469-L473 WeakPolarHBondContact O-CG 3.45Å; I469-L473 PolarHBondContact O-N 3.45Å
470	P	96	Very high	94.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.7	-34.4	178	22.3	-32.6	0	0	0	112.2	M438 I467 L473 A474 I485 L488 L509	M438-P470 HydrophobicContact CE-CG 4.32Å; I467-P470 HydrophobicContact CG2-CG 4.48Å; I467-P470 VanDerWaalsContact O-CD 3.29Å; I467-P470 WeakPolarHBondContact O-CD 3.38Å; I467-P470 WeakPolarHBondContact O-CG 3.26Å; P470-L473 PolarHBondContact O-N 2.83Å; P470-A474 PolarHBondContact O-N 2.87Å; P470-I485 HydrophobicContact CB-CD1 3.6Å; P470-I485 HydrophobicContact CG-CD1 3.95Å; P470-L488 HydrophobicContact CB-CD2 4.19Å; P470-L509 HydrophobicContact CB-CD1 3.69Å; P470-L509 WeakPolarHBondContact O-CD1 3.44Å
471	R	95.9	Very high	94.6	Very high	82 Å²	82	30.2 Å²	30.2	31%	0.309	18%	0.175	S	C	.	.	H	α-helix	trans	-63.9	-44.1	177.1	176.4	166.4	22.3	-155	-6.4	112	E464 I467 A468 I469 A474 V475 I485	E464-R471 IonicContact OE1-CZ 2.77Å; E464-R471 IonicContact OE1-NH1 3.11Å; E464-R471 IonicContact OE1-NH2 2.65Å; E464-R471 PolarHBondContact OE1-NH2 3.39Å; I467-R471 WeakPolarHBondContact O-CB 3.5Å; I467-R471 PolarHBondContact O-N 3.15Å; A468-R471 PolarHBondContact O-N 3.11Å; I469-R471 PolarHBondContact O-N 3.03Å; R471-A474 PolarHBondContact O-N 3.36Å; R471-V475 VanDerWaalsContact O-CG2 3.24Å; R471-V475 WeakPolarHBondContact O-CG2 3.34Å; R471-V475 PolarHBondContact O-N 3.2Å; R471-I485 HydrophobicContact CB-CD1 4.27Å; R471-I485 HydrophobicContact CB-CG1 4.48Å
472	V	95.3	Very high	94.5	Very high	6 Å²	6	32 Å²	32	4%	0.036	19%	0.193	C	C	.	.	H	α-helix	trans	-66	-41	176.5	170.2	0	0	0	0	111.1	R35 L38 I117 A468 I469 A474 V475 N476	R35-V472 HydrophobicContact CG-CB 4.27Å; R35-V472 HydrophobicContact CG-CG1 3.53Å; R35-V472 HydrophobicContact CG-CG2 3.65Å; R35-V472 VanDerWaalsContact NE-CG2 3.25Å; R35-V472 WeakPolarHBondContact O-CG1 3.39Å; L38-V472 HydrophobicContact CB-CG1 3.93Å; L38-V472 HydrophobicContact CD2-CB 3.97Å; L38-V472 HydrophobicContact CD2-CG1 3.66Å; L38-V472 HydrophobicContact CG-CG1 4.36Å; I117-V472 HydrophobicContact CD1-CG1 4.45Å; I117-V472 HydrophobicContact CG2-CG2 4.4Å; A468-V472 WeakPolarHBondContact O-CB 3.42Å; A468-V472 WeakPolarHBondContact O-CG2 3.19Å; A468-V472 PolarHBondContact O-N 3.34Å; I469-V472 PolarHBondContact O-N 3.24Å; V472-A474 PolarHBondContact O-N 2.94Å; V472-V475 PolarHBondContact O-N 2.95Å; V472-N476 WeakPolarHBondContact O-CB 3.28Å; V472-N476 VanDerWaalsContact O-CG 3.31Å; V472-N476 PolarHBondContact O-N 3.09Å
473	L	95	Very high	94.4	Very high	15 Å²	15	35.3 Å²	35.3	8%	0.079	21%	0.21	C	C	.	.	H	α-helix	trans	-57.6	-47.8	175.9	-70.5	174.3	0	0	0	111.8	L38 I469 P470 N476 A477 L509 L511	L38-L473 HydrophobicContact CD2-CD2 4.2Å; L38-L473 HydrophobicContact CD2-CG 4.29Å; L38-L473 HydrophobicContact CG-CD2 3.91Å; I469-L473 HydrophobicContact CG2-CD1 4.26Å; I469-L473 WeakPolarHBondContact O-CG 3.45Å; I469-L473 PolarHBondContact O-N 3.45Å; P470-L473 PolarHBondContact O-N 2.83Å; L473-N476 PolarHBondContact O-N 2.99Å; L473-A477 PolarHBondContact O-N 3.43Å; L473-A477 VanDerWaalsContact O-N 3.14Å; L473-L509 HydrophobicContact CB-CD1 4.39Å; L473-L511 HydrophobicContact CB-CD1 4.03Å; L473-L511 HydrophobicContact CB-CD2 4.16Å; L473-L511 HydrophobicContact CD2-CD1 4.24Å
474	A	94.7	Very high	94.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.4	-39.9	178.3	0	0	0	0	0	112.8	P470 R471 V472 A477 G478 Q479 C481 L484	P470-A474 PolarHBondContact O-N 2.87Å; R471-A474 PolarHBondContact O-N 3.36Å; V472-A474 PolarHBondContact O-N 2.94Å; A474-A477 WeakPolarHBondContact O-CB 3.42Å; A474-A477 PolarHBondContact O-N 3.11Å; A474-G478 PolarHBondContact O-N 2.97Å; A474-Q479 PolarHBondContact O-N 3.4Å; A474-C481 HydrophobicContact CB-CB 3.79Å; A474-L484 HydrophobicContact CB-CD1 4.01Å
475	V	94.4	Very high	94.3	Very high	80 Å²	80	33.8 Å²	33.8	49%	0.485	20%	0.204	S	C	.	.	H	α-helix	trans	-64.9	-43.4	177.3	169.5	0	0	0	0	111.3	R471 V472 A477 G478 C481	R471-V475 VanDerWaalsContact O-CG2 3.24Å; R471-V475 WeakPolarHBondContact O-CG2 3.34Å; R471-V475 PolarHBondContact O-N 3.2Å; V472-V475 PolarHBondContact O-N 2.95Å; V475-A477 PolarHBondContact O-N 2.97Å; V475-G478 PolarHBondContact O-N 3.18Å; V475-C481 HydrophobicContact CG2-CB 3.95Å
476	N	93.7	Very high	94.2	Very high	38 Å²	38	36.6 Å²	36.6	20%	0.203	23%	0.227	C	C	.	.	H	α-helix	trans	-65.7	-27.5	177.6	-69.7	-12.1	0	0	0	111.8	R35 L38 V41 V472 L473 G478	R35-N476 PolarHBondContact O-ND2 3.44Å; L38-N476 PolarHBondContact O-ND2 3.13Å; V41-N476 HydrophobicContact CG2-CB 4.16Å; V472-N476 WeakPolarHBondContact O-CB 3.28Å; V472-N476 VanDerWaalsContact O-CG 3.31Å; V472-N476 PolarHBondContact O-N 3.09Å; L473-N476 PolarHBondContact O-N 2.99Å; N476-G478 PolarHBondContact O-N 3.32Å
477	A	92.2	Very high	94	Very high	23 Å²	23	40.3 Å²	40.3	19%	0.19	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-8.9	173	0	0	0	0	0	114.1	V41 L473 A474 V475 Q479 L511	V41-A477 HydrophobicContact CG2-CB 3.81Å; L473-A477 PolarHBondContact O-N 3.43Å; L473-A477 VanDerWaalsContact O-N 3.14Å; A474-A477 WeakPolarHBondContact O-CB 3.42Å; A474-A477 PolarHBondContact O-N 3.11Å; V475-A477 PolarHBondContact O-N 2.97Å; A477-Q479 HydrophobicContact CB-CB 4.36Å; A477-Q479 HydrophobicContact CB-CG 3.73Å; A477-Q479 PolarHBondContact O-N 3.07Å; A477-L511 HydrophobicContact CB-CB 3.91Å; A477-L511 HydrophobicContact CB-CD2 4.08Å; A477-L511 HydrophobicContact CB-CG 4.44Å
478	G	91.2	Very high	93.9	Very high	70 Å²	70	40.1 Å²	40.1	72%	0.722	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	14.3	-173.1	0	0	0	0	0	113.9	A474 V475 N476	A474-G478 PolarHBondContact O-N 2.97Å; V475-G478 PolarHBondContact O-N 3.18Å; N476-G478 PolarHBondContact O-N 3.32Å
479	Q	90.8	Very high	93.8	Very high	69 Å²	69	44 Å²	44	32%	0.322	26%	0.256	S	S	.	.	S	Bend	trans	-86.3	164.2	179.7	-60.6	-66.3	-5.9	0	0	110.8	A474 A477 C481 L484	A474-Q479 PolarHBondContact O-N 3.4Å; A477-Q479 HydrophobicContact CB-CB 4.36Å; A477-Q479 HydrophobicContact CB-CG 3.73Å; A477-Q479 PolarHBondContact O-N 3.07Å; Q479-C481 PolarHBondContact O-N 3.38Å; Q479-L484 HydrophobicContact CB-CD1 3.7Å; Q479-L484 HydrophobicContact CG-CD1 4.42Å
480	D	91.6	Very high	93.6	Very high	99 Å²	99	46 Å²	46	53%	0.529	27%	0.273	S	S	.	.			trans	-69.7	98.1	172.6	-171.9	-6.6	0	0	0	110.3	S482 D483 L484	D480-S482 PolarHBondContact O-N 2.96Å; D480-S482 WeakPolarHBondContact OD1-CB 3.48Å; D480-S482 PolarHBondContact OD1-N 3.29Å; D480-D483 HydrophobicContact CB-CB 4.39Å; D480-D483 PolarHBondContact O-N 2.81Å; D480-L484 PolarHBondContact O-N 3.3Å
481	C	92	Very high	93.4	Very high	34 Å²	34	48.8 Å²	48.8	23%	0.23	29%	0.285	C	S	.	.	H	α-helix	trans	-64	-27.1	-179.7	68.6	0	0	0	0	112.5	A474 V475 Q479 I485	A474-C481 HydrophobicContact CB-CB 3.79Å; V475-C481 HydrophobicContact CG2-CB 3.95Å; Q479-C481 PolarHBondContact O-N 3.38Å; C481-I485 WeakPolarHBondContact O-CB 3.48Å; C481-I485 WeakPolarHBondContact O-CG1 3.41Å; C481-I485 PolarHBondContact O-N 2.9Å; C481-I485 VanDerWaalsContact O-N 3.1Å
482	S	92.7	Very high	93.2	Very high	86 Å²	86	45 Å²	45	60%	0.601	27%	0.27	S	S	*	.	H	α-helix	trans	-70.6	-46.6	-177.5	-54.1	0	0	0	0	110.6	D480 A486	D480-S482 PolarHBondContact O-N 2.96Å; D480-S482 WeakPolarHBondContact OD1-CB 3.48Å; D480-S482 PolarHBondContact OD1-N 3.29Å; S482-A486 VanDerWaalsContact O-CB 3.27Å; S482-A486 WeakPolarHBondContact O-CB 3.42Å; S482-A486 PolarHBondContact O-N 3.18Å; S482-A486 VanDerWaalsContact O-N 3.08Å
483	D	93.9	Very high	92.9	Very high	68 Å²	68	46.4 Å²	46.4	36%	0.364	28%	0.283	S	S	.	.	H	α-helix	trans	-67	-47.6	178.8	-176.3	39.1	0	0	0	111.8	D480 I485 A486 K487	D480-D483 HydrophobicContact CB-CB 4.39Å; D480-D483 PolarHBondContact O-N 2.81Å; D483-I485 PolarHBondContact O-N 2.95Å; D483-A486 PolarHBondContact O-N 3.27Å; D483-K487 WeakPolarHBondContact O-CG 3.47Å; D483-K487 PolarHBondContact O-N 3.42Å; D483-K487 WeakPolarHBondContact OD1-CE 3.32Å; D483-K487 IonicContact OD1-NZ 3.81Å; D483-K487 WeakPolarHBondContact OD2-CE 3.47Å; D483-K487 IonicContact OD2-NZ 2.64Å; D483-K487 PolarHBondContact OD2-NZ 2.85Å
484	L	94.2	Very high	92.4	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.016	30%	0.298	C	S	.	.	H	α-helix	trans	-59.4	-45.4	179.5	-81.1	177.5	0	0	0	112.9	A474 Q479 D480 K487 L488 L509 G514 V516	A474-L484 HydrophobicContact CB-CD1 4.01Å; Q479-L484 HydrophobicContact CB-CD1 3.7Å; Q479-L484 HydrophobicContact CG-CD1 4.42Å; D480-L484 PolarHBondContact O-N 3.3Å; L484-K487 PolarHBondContact O-N 2.92Å; L484-L488 VanDerWaalsContact O-CB 3.3Å; L484-L488 WeakPolarHBondContact O-CB 3.45Å; L484-L488 PolarHBondContact O-N 2.66Å; L484-L509 HydrophobicContact CB-CD2 4.01Å; L484-L509 HydrophobicContact CD2-CD2 4.19Å; L484-L509 HydrophobicContact CG-CD2 4.5Å; L484-G514 VanDerWaalsContact CD2-O 3.25Å; L484-G514 WeakPolarHBondContact CD2-O 3.32Å; L484-V516 HydrophobicContact CD2-CG2 4.19Å
485	I	95	Very high	91.8	Very high	22 Å²	22	50.5 Å²	50.5	11%	0.113	30%	0.301	C	S	.	.	H	α-helix	trans	-68.5	-39.3	179.7	-65.3	-68.1	0	0	0	110.9	M438 I467 P470 R471 C481 D483 L488 R489	M438-I485 HydrophobicContact CE-CD1 4.31Å; M438-I485 HydrophobicContact CE-CG2 3.89Å; I467-I485 HydrophobicContact CG2-CD1 4.28Å; I467-I485 HydrophobicContact CG2-CG2 3.73Å; P470-I485 HydrophobicContact CB-CD1 3.6Å; P470-I485 HydrophobicContact CG-CD1 3.95Å; R471-I485 HydrophobicContact CB-CD1 4.27Å; R471-I485 HydrophobicContact CB-CG1 4.48Å; C481-I485 WeakPolarHBondContact O-CB 3.48Å; C481-I485 WeakPolarHBondContact O-CG1 3.41Å; C481-I485 PolarHBondContact O-N 2.9Å; C481-I485 VanDerWaalsContact O-N 3.1Å; D483-I485 PolarHBondContact O-N 2.95Å; I485-L488 PolarHBondContact O-N 2.78Å; I485-R489 VanDerWaalsContact O-CB 3.3Å; I485-R489 WeakPolarHBondContact O-CB 3.44Å; I485-R489 PolarHBondContact O-N 2.84Å
486	A	94.3	Very high	90.9	Very high	58 Å²	58	50 Å²	50	48%	0.479	30%	0.295	S	S	.	.	H	α-helix	trans	-61.9	-47.2	176.2	0	0	0	0	0	111.7	S482 D483 R489 A490	S482-A486 VanDerWaalsContact O-CB 3.27Å; S482-A486 WeakPolarHBondContact O-CB 3.42Å; S482-A486 PolarHBondContact O-N 3.18Å; S482-A486 VanDerWaalsContact O-N 3.08Å; D483-A486 PolarHBondContact O-N 3.27Å; A486-R489 PolarHBondContact O-N 3.3Å; A486-A490 WeakPolarHBondContact O-CB 3.43Å; A486-A490 PolarHBondContact O-N 3.05Å
487	K	93.5	Very high	90	Very high	81 Å²	81	54 Å²	54	35%	0.352	32%	0.321	S	S	.	.	H	α-helix	trans	-60.3	-49.8	175.7	-74.9	170.7	175.8	165	0	111.6	D483 L484 R489 A490 Y491 V516	D483-K487 WeakPolarHBondContact O-CG 3.47Å; D483-K487 PolarHBondContact O-N 3.42Å; D483-K487 WeakPolarHBondContact OD1-CE 3.32Å; D483-K487 IonicContact OD1-NZ 3.81Å; D483-K487 WeakPolarHBondContact OD2-CE 3.47Å; D483-K487 IonicContact OD2-NZ 2.64Å; D483-K487 PolarHBondContact OD2-NZ 2.85Å; L484-K487 PolarHBondContact O-N 2.92Å; K487-R489 VanDerWaalsContact C-N 3.32Å; K487-R489 PolarHBondContact O-N 3.04Å; K487-A490 PolarHBondContact O-N 2.89Å; K487-Y491 HydrophobicContact CB-CE2 4.18Å; K487-Y491 WeakPolarHBondContact O-CD2 3.47Å; K487-Y491 PolarHBondContact O-N 3.4Å; K487-V516 HydrophobicContact CB-CG2 3.94Å
488	L	93.6	Very high	89.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-59.5	-43.4	-179.3	-169.4	67.7	0	0	0	111.4	M438 P470 L484 I485 Y491 H492 A507 L509 V516	M438-L488 HydrophobicContact CB-CD2 3.76Å; M438-L488 HydrophobicContact CB-CG 3.98Å; M438-L488 HydrophobicContact CE-CB 4.5Å; M438-L488 HydrophobicContact CE-CD2 4.12Å; M438-L488 HydrophobicContact CE-CG 4.48Å; M438-L488 HydrophobicContact CG-CB 4.47Å; M438-L488 HydrophobicContact CG-CD2 4.08Å; M438-L488 HydrophobicContact CG-CG 3.86Å; P470-L488 HydrophobicContact CB-CD2 4.19Å; L484-L488 VanDerWaalsContact O-CB 3.3Å; L484-L488 WeakPolarHBondContact O-CB 3.45Å; L484-L488 PolarHBondContact O-N 2.66Å; I485-L488 PolarHBondContact O-N 2.78Å; L488-Y491 PolarHBondContact O-N 3.02Å; L488-H492 PolarHBondContact O-CD2 2.94Å; L488-H492 VanDerWaalsContact O-CD2 3.24Å; L488-H492 PolarHBondContact O-N 3.44Å; L488-H492 VanDerWaalsContact O-N 3.16Å; L488-A507 HydrophobicContact CD1-CB 4.09Å; L488-A507 WeakPolarHBondContact CD1-O 3.02Å; L488-L509 HydrophobicContact CD2-CD2 4.07Å; L488-L509 HydrophobicContact CD2-CG 4.07Å; L488-V516 HydrophobicContact CB-CG2 4.26Å; L488-V516 HydrophobicContact CD1-CG1 3.7Å; L488-V516 HydrophobicContact CD1-CG2 4.45Å
489	R	93.3	Very high	88	Confident	83 Å²	83	57.2 Å²	57.2	31%	0.313	32%	0.322	S	S	.	.	H	α-helix	trans	-63.5	-44.1	176.5	-172	175	179.3	177.7	-3.7	112.1	M438 V442 E445 I485 A486 K487 Y491 H492 A493	M438-R489 HydrophobicContact CE-CB 4.3Å; M438-R489 HydrophobicContact SD-CB 3.75Å; M438-R489 HydrophobicContact SD-CG 4.03Å; V442-R489 HydrophobicContact CG2-CG 3.99Å; E445-R489 IonicContact OE1-NH2 3.07Å; E445-R489 PolarHBondContact OE1-NH2 3.17Å; E445-R489 IonicContact OE2-CZ 3.32Å; E445-R489 IonicContact OE2-NE 3.03Å; E445-R489 IonicContact OE2-NH2 3.62Å; E445-R489 PolarHBondContact OE2-NH2 3.06Å; I485-R489 VanDerWaalsContact O-CB 3.3Å; I485-R489 WeakPolarHBondContact O-CB 3.44Å; I485-R489 PolarHBondContact O-N 2.84Å; A486-R489 PolarHBondContact O-N 3.3Å; K487-R489 VanDerWaalsContact C-N 3.32Å; K487-R489 PolarHBondContact O-N 3.04Å; R489-Y491 VanDerWaalsContact C-N 3.34Å; R489-Y491 PolarHBondContact O-N 2.98Å; R489-H492 PolarHBondContact O-N 3.38Å; R489-A493 WeakPolarHBondContact O-CB 3.43Å; R489-A493 PolarHBondContact O-N 2.94Å
490	A	92.3	Very high	86.5	Confident	48 Å²	48	57.8 Å²	57.8	40%	0.397	34%	0.339	S	S	.	.	H	α-helix	trans	-60.2	-44.1	178.7	0	0	0	0	0	111.9	A486 K487 A493 Q494	A486-A490 WeakPolarHBondContact O-CB 3.43Å; A486-A490 PolarHBondContact O-N 3.05Å; K487-A490 PolarHBondContact O-N 2.89Å; A490-A493 PolarHBondContact O-N 3.47Å; A490-Q494 WeakPolarHBondContact O-CG 3.47Å; A490-Q494 PolarHBondContact O-N 3.5Å
491	Y	91.5	Very high	85	Confident	60 Å²	60	61.1 Å²	61.1	24%	0.235	36%	0.356	C	S	.	.	H	α-helix	trans	-63.6	-44.5	178.2	-71.7	-39.2	0	0	0	113.3	K487 L488 R489 A493 Q494 Q495 W504 V516	K487-Y491 HydrophobicContact CB-CE2 4.18Å; K487-Y491 WeakPolarHBondContact O-CD2 3.47Å; K487-Y491 PolarHBondContact O-N 3.4Å; L488-Y491 PolarHBondContact O-N 3.02Å; R489-Y491 VanDerWaalsContact C-N 3.34Å; R489-Y491 PolarHBondContact O-N 2.98Å; Y491-A493 VanDerWaalsContact C-N 3.34Å; Y491-Q494 PolarHBondContact O-N 3.21Å; Y491-Q495 PolarHBondContact O-N 3.08Å; Y491-Q495 VanDerWaalsContact O-N 3.15Å; Y491-W504 HydrophobicContact CD1-CB 4.39Å; Y491-W504 AromaticContact CD1-CD2 3.97Å; Y491-W504 HydrophobicContact CD1-CD2 3.97Å; Y491-W504 HydrophobicContact CD1-CE3 4.5Å; Y491-W504 AromaticContact CD1-CG 3.9Å; Y491-W504 HydrophobicContact CD1-CG 3.9Å; Y491-W504 HydrophobicContact CD2-CE3 4.32Å; Y491-W504 HydrophobicContact CE1-CD2 4.2Å; Y491-W504 HydrophobicContact CE1-CG 4.5Å; Y491-W504 HydrophobicContact CE1-CZ2 4.3Å; Y491-W504 HydrophobicContact CE2-CE3 4.45Å; Y491-W504 HydrophobicContact CE2-CZ3 4.41Å; Y491-W504 HydrophobicContact CG-CB 4.31Å; Y491-W504 HydrophobicContact CG-CD2 4.19Å; Y491-W504 HydrophobicContact CG-CE3 4.34Å; Y491-W504 HydrophobicContact CG-CG 4.18Å; Y491-V516 HydrophobicContact CD2-CB 4.15Å; Y491-V516 HydrophobicContact CD2-CG1 3.7Å; Y491-V516 HydrophobicContact CE2-CB 3.9Å; Y491-V516 HydrophobicContact CE2-CG1 3.93Å; Y491-V516 HydrophobicContact CE2-CG2 4.43Å
492	H	91.6	Very high	83.9	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-68.4	-32.2	175.9	-79.3	-68.9	0	0	0	112.6	M438 A439 V442 L488 R489 Q495 I496 K505 A507	M438-H492 HydrophobicContact CG-CB 4.3Å; A439-H492 WeakPolarHBondContact CB-ND1 3.43Å; V442-H492 HydrophobicContact CG2-CB 4.11Å; L488-H492 PolarHBondContact O-CD2 2.94Å; L488-H492 VanDerWaalsContact O-CD2 3.24Å; L488-H492 PolarHBondContact O-N 3.44Å; L488-H492 VanDerWaalsContact O-N 3.16Å; R489-H492 PolarHBondContact O-N 3.38Å; H492-Q495 WeakPolarHBondContact O-CB 3.48Å; H492-Q495 PolarHBondContact O-N 3.41Å; H492-I496 PolarHBondContact O-N 2.68Å; H492-K505 PolarHBondContact CE1-O 3.49Å; H492-A507 PolarHBondContact NE2-O 3.08Å
493	A	89.3	Confident	82.9	Confident	37 Å²	37	62.9 Å²	62.9	31%	0.306	35%	0.35	S	S	.	.	H	α-helix	trans	-68	-40.4	173.3	0	0	0	0	0	112.8	V442 R489 A490 Y491 Q495 I496 T497	V442-A493 HydrophobicContact CG1-CB 4Å; R489-A493 WeakPolarHBondContact O-CB 3.43Å; R489-A493 PolarHBondContact O-N 2.94Å; A490-A493 PolarHBondContact O-N 3.47Å; Y491-A493 VanDerWaalsContact C-N 3.34Å; A493-Q495 VanDerWaalsContact C-N 3.29Å; A493-Q495 PolarHBondContact O-N 3.1Å; A493-I496 PolarHBondContact O-N 3.37Å; A493-T497 PolarHBondContact O-OG1 3.01Å; A493-T497 VanDerWaalsContact O-OG1 3.11Å
494	Q	85.3	Confident	82.4	Confident	83 Å²	83	63 Å²	63	39%	0.388	35%	0.345	S	S	.	.	H	α-helix	trans	-60.6	-39.7	173.6	-74.6	172.8	-2.5	0	0	111.6	A490 Y491 I496 T497 E498	A490-Q494 WeakPolarHBondContact O-CG 3.47Å; A490-Q494 PolarHBondContact O-N 3.5Å; Y491-Q494 PolarHBondContact O-N 3.21Å; Q494-I496 VanDerWaalsContact C-N 3.31Å; Q494-I496 PolarHBondContact O-N 2.93Å; Q494-T497 WeakPolarHBondContact O-CA 3.44Å; Q494-T497 WeakPolarHBondContact O-CB 3.48Å; Q494-T497 PolarHBondContact O-N 3.27Å; Q494-E498 PolarHBondContact O-N 3.31Å
495	Q	80.9	Confident	81.8	Confident	17 Å²	17	64.5 Å²	64.5	8%	0.079	35%	0.352	C	S	.	.	H	α-helix	trans	-59.6	-37.8	178.7	-178.7	-119.1	-57.7	0	0	113.4	Y491 H492 A493 T497 G499 N502 K505	Y491-Q495 PolarHBondContact O-N 3.08Å; Y491-Q495 VanDerWaalsContact O-N 3.15Å; H492-Q495 WeakPolarHBondContact O-CB 3.48Å; H492-Q495 PolarHBondContact O-N 3.41Å; A493-Q495 VanDerWaalsContact C-N 3.29Å; A493-Q495 PolarHBondContact O-N 3.1Å; Q495-T497 PolarHBondContact O-N 2.75Å; Q495-G499 PolarHBondContact O-N 3.46Å; Q495-N502 HydrophobicContact CB-CB 4.49Å; Q495-N502 HydrophobicContact CG-CB 4.5Å; Q495-K505 HydrophobicContact CG-CB 3.9Å; Q495-K505 HydrophobicContact CG-CG 4.15Å
496	I	75.8	Confident	81.6	Confident	70 Å²	70	65 Å²	65	36%	0.359	35%	0.353	S	S	.	.	H	α-helix	trans	-65.2	-31.8	176.3	-63.3	176.4	0	0	0	110.8	V442 N446 H492 A493 Q494	V442-I496 HydrophobicContact CB-CD1 4.29Å; V442-I496 HydrophobicContact CG1-CD1 3.59Å; N446-I496 WeakPolarHBondContact ND2-CD1 3.24Å; H492-I496 PolarHBondContact O-N 2.68Å; A493-I496 PolarHBondContact O-N 3.37Å; Q494-I496 VanDerWaalsContact C-N 3.31Å; Q494-I496 PolarHBondContact O-N 2.93Å
497	T	75	Confident	81.5	Confident	122 Å²	122	62.3 Å²	62.3	75%	0.748	33%	0.33	S	S	*	.	H	α-helix	trans	-84.9	-40.9	-176.2	-40.1	0	0	0	0	112.1	A493 Q494 Q495	A493-T497 PolarHBondContact O-OG1 3.01Å; A493-T497 VanDerWaalsContact O-OG1 3.11Å; Q494-T497 WeakPolarHBondContact O-CA 3.44Å; Q494-T497 WeakPolarHBondContact O-CB 3.48Å; Q494-T497 PolarHBondContact O-N 3.27Å; Q495-T497 PolarHBondContact O-N 2.75Å
498	E	72.3	Confident	81.5	Confident	130 Å²	130	58.4 Å²	58.4	61%	0.607	31%	0.313	S	S	*	.	H	α-helix	trans	-92.7	-9.6	-174.3	-65.5	177.8	172.1	0	0	113.8	Q494 N502	Q494-E498 PolarHBondContact O-N 3.31Å; E498-N502 PolarHBondContact OE2-ND2 3.03Å
499	G	68.6	Low	81.5	Confident	31 Å²	31	58.8 Å²	58.8	32%	0.32	32%	0.315	S	S	.	.			trans	79.8	-166.7	176.3	0	0	0	0	0	114.8	Q495 N501 N502	Q495-G499 PolarHBondContact O-N 3.46Å; G499-N501 VanDerWaalsContact C-N 3.27Å; G499-N501 PolarHBondContact O-N 3.47Å; G499-N501 VanDerWaalsContact O-N 3.13Å; G499-N502 PolarHBondContact O-N 3.45Å
500	A	60.1	Low	81.5	Confident	81 Å²	81	55.4 Å²	55.4	67%	0.669	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-16.2	-163.7	0	0	0	0	0	116	N502	A500-N502 VanDerWaalsContact C-N 3.31Å; A500-N502 PolarHBondContact O-N 3.33Å
501	N	59.5	Low	81.4	Confident	168 Å²	168	53.8 Å²	53.8	90%	0.898	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	2.2	-177.7	-88	-4.8	0	0	0	114.1	G499 K503	G499-N501 VanDerWaalsContact C-N 3.27Å; G499-N501 PolarHBondContact O-N 3.47Å; G499-N501 VanDerWaalsContact O-N 3.13Å; N501-K503 PolarHBondContact O-N 3.14Å
502	N	69.5	Low	81.3	Confident	17 Å²	17	59 Å²	59	9%	0.091	31%	0.314	C	S	.	.			trans	-74.3	120.9	179.3	-167.1	-24.8	0	0	0	110.6	Q495 E498 G499 A500 W504 K505	Q495-N502 HydrophobicContact CB-CB 4.49Å; Q495-N502 HydrophobicContact CG-CB 4.5Å; E498-N502 PolarHBondContact OE2-ND2 3.03Å; G499-N502 PolarHBondContact O-N 3.45Å; A500-N502 VanDerWaalsContact C-N 3.31Å; A500-N502 PolarHBondContact O-N 3.33Å; N502-W504 PolarHBondContact O-N 3.26Å; N502-W504 WeakPolarHBondContact OD1-CB 3.32Å; N502-W504 PolarHBondContact OD1-N 2.92Å; N502-K505 WeakPolarHBondContact O-CB 3.43Å; N502-K505 PolarHBondContact O-N 3.39Å
503	K	72.1	Confident	81.2	Confident	141 Å²	141	62.8 Å²	62.8	61%	0.613	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-50.6	-29.5	173.9	-174.4	-179	177.9	-174.4	0	112.1	N501 K505	N501-K503 PolarHBondContact O-N 3.14Å; K503-K505 VanDerWaalsContact C-N 3.31Å; K503-K505 PolarHBondContact O-N 2.95Å
504	W	82	Confident	81.2	Confident	70 Å²	70	61.7 Å²	61.7	27%	0.265	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-84	2.1	-176.7	-56	115.4	0	0	0	115	Y491 N502 W506 A507	Y491-W504 HydrophobicContact CD1-CB 4.39Å; Y491-W504 AromaticContact CD1-CD2 3.97Å; Y491-W504 HydrophobicContact CD1-CD2 3.97Å; Y491-W504 HydrophobicContact CD1-CE3 4.5Å; Y491-W504 AromaticContact CD1-CG 3.9Å; Y491-W504 HydrophobicContact CD1-CG 3.9Å; Y491-W504 HydrophobicContact CD2-CE3 4.32Å; Y491-W504 HydrophobicContact CE1-CD2 4.2Å; Y491-W504 HydrophobicContact CE1-CG 4.5Å; Y491-W504 HydrophobicContact CE1-CZ2 4.3Å; Y491-W504 HydrophobicContact CE2-CE3 4.45Å; Y491-W504 HydrophobicContact CE2-CZ3 4.41Å; Y491-W504 HydrophobicContact CG-CB 4.31Å; Y491-W504 HydrophobicContact CG-CD2 4.19Å; Y491-W504 HydrophobicContact CG-CE3 4.34Å; Y491-W504 HydrophobicContact CG-CG 4.18Å; N502-W504 PolarHBondContact O-N 3.26Å; N502-W504 WeakPolarHBondContact OD1-CB 3.32Å; N502-W504 PolarHBondContact OD1-N 2.92Å; W504-W506 PolarHBondContact O-N 2.9Å; W504-W506 VanDerWaalsContact O-N 3.12Å; W504-A507 HydrophobicContact CB-CB 4.28Å; W504-A507 HydrophobicContact CE3-CB 4.14Å; W504-A507 WeakPolarHBondContact O-CB 3.48Å; W504-A507 PolarHBondContact O-N 2.91Å
505	K	83.2	Confident	81.6	Confident	35 Å²	35	63.9 Å²	63.9	15%	0.152	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-52.2	-34.6	170.9	-178.4	174.5	177.2	179.9	0	112.5	N157 H492 Q495 N502 K503	N157-K505 WeakPolarHBondContact O-CE 3.39Å; N157-K505 PolarHBondContact O-NZ 3.06Å; H492-K505 PolarHBondContact CE1-O 3.49Å; Q495-K505 HydrophobicContact CG-CB 3.9Å; Q495-K505 HydrophobicContact CG-CG 4.15Å; N502-K505 WeakPolarHBondContact O-CB 3.43Å; N502-K505 PolarHBondContact O-N 3.39Å; K503-K505 VanDerWaalsContact C-N 3.31Å; K503-K505 PolarHBondContact O-N 2.95Å
506	W	89.4	Confident	82.1	Confident	33 Å²	33	63.8 Å²	63.8	13%	0.125	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-104.8	21.8	-178.4	-50.1	116.5	0	0	0	112.2	L158 I160 V431 W504 G508 D518 N519 K520	L158-W506 HydrophobicContact CD2-CZ3 4.45Å; L158-W506 WeakPolarHBondContact O-CZ3 3.4Å; I160-W506 HydrophobicContact CD1-CD2 4.48Å; I160-W506 HydrophobicContact CD1-CE3 4.46Å; I160-W506 HydrophobicContact CD1-CH2 4.17Å; I160-W506 HydrophobicContact CD1-CZ2 4.22Å; I160-W506 HydrophobicContact CD1-CZ3 4.3Å; I160-W506 HydrophobicContact CG1-CH2 3.85Å; I160-W506 HydrophobicContact CG1-CZ2 4.05Å; I160-W506 HydrophobicContact CG1-CZ3 4.35Å; V431-W506 HydrophobicContact CB-CE3 4.1Å; V431-W506 HydrophobicContact CG1-CB 4.48Å; V431-W506 HydrophobicContact CG2-CB 4.17Å; V431-W506 HydrophobicContact CG2-CD2 3.93Å; V431-W506 HydrophobicContact CG2-CE3 3.41Å; V431-W506 VanDerWaalsContact CG2-CE3 3.41Å; V431-W506 HydrophobicContact CG2-CG 4.26Å; V431-W506 HydrophobicContact CG2-CZ3 4.09Å; W504-W506 PolarHBondContact O-N 2.9Å; W504-W506 VanDerWaalsContact O-N 3.12Å; W506-G508 PolarHBondContact O-N 2.85Å; W506-D518 WeakPolarHBondContact CB-OD1 3.25Å; W506-N519 PolarHBondContact O-N 3.3Å; W506-K520 HydrophobicContact CB-CB 3.85Å; W506-K520 HydrophobicContact CG-CB 3.92Å; W506-K520 HydrophobicContact CG-CD 4.24Å
507	A	92.4	Very high	82.9	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	128	177.8	0	0	0	0	0	110.3	S435 L488 H492 W504 V516 R517	S435-A507 WeakPolarHBondContact CA-O 3.3Å; S435-A507 WeakPolarHBondContact CB-O 3.21Å; S435-A507 PolarHBondContact OG-O 2.75Å; L488-A507 HydrophobicContact CD1-CB 4.09Å; L488-A507 WeakPolarHBondContact CD1-O 3.02Å; H492-A507 PolarHBondContact NE2-O 3.08Å; W504-A507 HydrophobicContact CB-CB 4.28Å; W504-A507 HydrophobicContact CE3-CB 4.14Å; W504-A507 WeakPolarHBondContact O-CB 3.48Å; W504-A507 PolarHBondContact O-N 2.91Å; A507-V516 HydrophobicContact CB-CG1 3.85Å; A507-R517 WeakPolarHBondContact CA-O 3.44Å
508	G	93.8	Very high	83.7	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	172.4	175.3	0	0	0	0	0	111.3	W506 V516 R517 N519	W506-G508 PolarHBondContact O-N 2.85Å; G508-V516 WeakPolarHBondContact O-CA 3.48Å; G508-V516 WeakPolarHBondContact O-CG1 3.24Å; G508-R517 PolarHBondContact N-O 3.4Å; G508-R517 PolarHBondContact O-N 3.11Å; G508-N519 WeakPolarHBondContact CA-ND2 3.4Å
509	L	94	Very high	84.7	Confident	7 Å²	7	54 Å²	54	4%	0.037	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	131	-176.6	-61.5	175.1	0	0	0	110.9	G433 P470 L473 L484 L488 L511 V516	G433-L509 PolarHBondContact O-N 2.82Å; P470-L509 HydrophobicContact CB-CD1 3.69Å; P470-L509 WeakPolarHBondContact O-CD1 3.44Å; L473-L509 HydrophobicContact CB-CD1 4.39Å; L484-L509 HydrophobicContact CB-CD2 4.01Å; L484-L509 HydrophobicContact CD2-CD2 4.19Å; L484-L509 HydrophobicContact CG-CD2 4.5Å; L488-L509 HydrophobicContact CD2-CD2 4.07Å; L488-L509 HydrophobicContact CD2-CG 4.07Å; L509-L511 HydrophobicContact CB-CD2 3.92Å; L509-L511 HydrophobicContact CD1-CD2 4.41Å; L509-V516 HydrophobicContact CD2-CG2 4.3Å
510	D	93.7	Very high	85.7	Confident	12 Å²	12	56.4 Å²	56.4	6%	0.064	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	109	161.5	-171.1	-4.7	0	0	0	109.1	E512 T513 G514 E515 R517	D510-E512 PolarHBondContact OD1-N 3.38Å; D510-T513 WeakPolarHBondContact CB-OG1 3.41Å; D510-T513 WeakPolarHBondContact OD2-CG2 3.2Å; D510-T513 PolarHBondContact OD2-OG1 2.84Å; D510-G514 WeakPolarHBondContact O-CA 3.42Å; D510-G514 PolarHBondContact O-N 2.75Å; D510-E515 WeakPolarHBondContact CB-O 3.13Å; D510-E515 PolarHBondContact N-O 3.21Å; D510-E515 PolarHBondContact O-N 2.77Å; D510-R517 HydrophobicContact CB-CG 4Å; D510-R517 VanDerWaalsContact CG-CZ 3.49Å; D510-R517 IonicContact OD1-CZ 3.28Å; D510-R517 IonicContact OD1-NH1 2.83Å; D510-R517 PolarHBondContact OD1-NH1 3.05Å; D510-R517 IonicContact OD2-CZ 3.72Å; D510-R517 IonicContact OD2-NE 3.85Å; D510-R517 IonicContact OD2-NH1 2.7Å; D510-R517 PolarHBondContact OD2-NH1 3.09Å
511	L	90.6	Very high	87.1	Confident	15 Å²	15	56.3 Å²	56.3	8%	0.079	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-18.8	-173.5	-57.5	-178.9	0	0	0	112.6	P40 V41 L473 A477 L509	P40-L511 HydrophobicContact CG-CD1 3.8Å; V41-L511 HydrophobicContact CG1-CB 4.47Å; V41-L511 HydrophobicContact CG2-CB 4.42Å; V41-L511 HydrophobicContact CG2-CD1 3.95Å; L473-L511 HydrophobicContact CB-CD1 4.03Å; L473-L511 HydrophobicContact CB-CD2 4.16Å; L473-L511 HydrophobicContact CD2-CD1 4.24Å; A477-L511 HydrophobicContact CB-CB 3.91Å; A477-L511 HydrophobicContact CB-CD2 4.08Å; A477-L511 HydrophobicContact CB-CG 4.44Å; L509-L511 HydrophobicContact CB-CD2 3.92Å; L509-L511 HydrophobicContact CD1-CD2 4.41Å
512	E	88	Confident	88.6	Confident	169 Å²	169	50 Å²	50	79%	0.79	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-48.2	178.1	-67.3	179.4	178.3	0	0	111	D510	D510-E512 PolarHBondContact OD1-N 3.38Å
513	T	89.6	Confident	89.6	Confident	80 Å²	80	50.8 Å²	50.8	49%	0.491	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-22.4	-178.6	59	0	0	0	0	113	D510	D510-T513 WeakPolarHBondContact CB-OG1 3.41Å; D510-T513 WeakPolarHBondContact OD2-CG2 3.2Å; D510-T513 PolarHBondContact OD2-OG1 2.84Å
514	G	90	Very high	90.6	Very high	14 Å²	14	46.1 Å²	46.1	14%	0.144	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	29	-174	0	0	0	0	0	112.9	L484 D510	L484-G514 VanDerWaalsContact CD2-O 3.25Å; L484-G514 WeakPolarHBondContact CD2-O 3.32Å; D510-G514 WeakPolarHBondContact O-CA 3.42Å; D510-G514 PolarHBondContact O-N 2.75Å
515	E	92.4	Very high	91.2	Very high	129 Å²	129	42.9 Å²	42.9	60%	0.603	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	168.1	178.6	-62.4	-169	164.5	0	0	112.4	D510	D510-E515 WeakPolarHBondContact CB-O 3.13Å; D510-E515 PolarHBondContact N-O 3.21Å; D510-E515 PolarHBondContact O-N 2.77Å
516	V	92.5	Very high	91.7	Very high	15 Å²	15	42.6 Å²	42.6	9%	0.091	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	126	171.2	-179.8	0	0	0	0	108.6	L484 K487 L488 Y491 A507 G508 L509	L484-V516 HydrophobicContact CD2-CG2 4.19Å; K487-V516 HydrophobicContact CB-CG2 3.94Å; L488-V516 HydrophobicContact CB-CG2 4.26Å; L488-V516 HydrophobicContact CD1-CG1 3.7Å; L488-V516 HydrophobicContact CD1-CG2 4.45Å; Y491-V516 HydrophobicContact CD2-CB 4.15Å; Y491-V516 HydrophobicContact CD2-CG1 3.7Å; Y491-V516 HydrophobicContact CE2-CB 3.9Å; Y491-V516 HydrophobicContact CE2-CG1 3.93Å; Y491-V516 HydrophobicContact CE2-CG2 4.43Å; A507-V516 HydrophobicContact CB-CG1 3.85Å; G508-V516 WeakPolarHBondContact O-CA 3.48Å; G508-V516 WeakPolarHBondContact O-CG1 3.24Å; L509-V516 HydrophobicContact CD2-CG2 4.3Å
517	R	92.7	Very high	92	Very high	82 Å²	82	41.1 Å²	41.1	31%	0.309	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	169.6	-178.2	73.2	180	179.5	-168.2	6.6	112.2	A507 G508 D510 N519	A507-R517 WeakPolarHBondContact CA-O 3.44Å; G508-R517 PolarHBondContact N-O 3.4Å; G508-R517 PolarHBondContact O-N 3.11Å; D510-R517 HydrophobicContact CB-CG 4Å; D510-R517 VanDerWaalsContact CG-CZ 3.49Å; D510-R517 IonicContact OD1-CZ 3.28Å; D510-R517 IonicContact OD1-NH1 2.83Å; D510-R517 PolarHBondContact OD1-NH1 3.05Å; D510-R517 IonicContact OD2-CZ 3.72Å; D510-R517 IonicContact OD2-NE 3.85Å; D510-R517 IonicContact OD2-NH1 2.7Å; D510-R517 PolarHBondContact OD2-NH1 3.09Å; R517-N519 WeakPolarHBondContact CG-OD1 3.29Å; R517-N519 PolarHBondContact NE-OD1 3.42Å; R517-N519 PolarHBondContact O-N 3.01Å
518	D	91.8	Very high	92.1	Very high	34 Å²	34	41.6 Å²	41.6	18%	0.182	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	104.2	168.9	-177.4	-10.4	0	0	0	109.5	W506 K520 A521 A522	W506-D518 WeakPolarHBondContact CB-OD1 3.25Å; D518-K520 VanDerWaalsContact C-N 3.28Å; D518-K520 PolarHBondContact O-N 3.4Å; D518-K520 WeakPolarHBondContact OD1-CA 2.77Å; D518-K520 VanDerWaalsContact OD1-CB 3.26Å; D518-K520 WeakPolarHBondContact OD1-CB 2.94Å; D518-K520 PolarHBondContact OD1-N 3.42Å; D518-A521 HydrophobicContact CB-CB 4.18Å; D518-A521 PolarHBondContact O-N 3.5Å; D518-A521 PolarHBondContact OD1-N 3.27Å; D518-A522 PolarHBondContact O-N 3.35Å
519	N	92.3	Very high	92	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-14.2	-177.8	-88.9	1.3	0	0	0	113.1	V431 G432 W506 G508 R517 C523 I524	V431-N519 HydrophobicContact CG1-CB 3.24Å; G432-N519 PolarHBondContact O-ND2 2.9Å; G432-N519 VanDerWaalsContact O-ND2 3.17Å; W506-N519 PolarHBondContact O-N 3.3Å; G508-N519 WeakPolarHBondContact CA-ND2 3.4Å; R517-N519 WeakPolarHBondContact CG-OD1 3.29Å; R517-N519 PolarHBondContact NE-OD1 3.42Å; R517-N519 PolarHBondContact O-N 3.01Å; N519-C523 PolarHBondContact O-N 3.28Å; N519-I524 HydrophobicContact CB-CB 4.16Å; N519-I524 PolarHBondContact O-N 3.41Å
520	K	90.6	Very high	92	Very high	81 Å²	81	43.8 Å²	43.8	35%	0.352	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-44.2	168.6	-178.2	-176.9	177.4	-179.1	0	109.9	I160 V431 W506 D518 A522 C523 F525	I160-K520 HydrophobicContact CD1-CD 3.79Å; I160-K520 HydrophobicContact CD1-CG 3.99Å; V431-K520 HydrophobicContact CG2-CB 4.1Å; W506-K520 HydrophobicContact CB-CB 3.85Å; W506-K520 HydrophobicContact CG-CB 3.92Å; W506-K520 HydrophobicContact CG-CD 4.24Å; D518-K520 VanDerWaalsContact C-N 3.28Å; D518-K520 PolarHBondContact O-N 3.4Å; D518-K520 WeakPolarHBondContact OD1-CA 2.77Å; D518-K520 VanDerWaalsContact OD1-CB 3.26Å; D518-K520 WeakPolarHBondContact OD1-CB 2.94Å; D518-K520 PolarHBondContact OD1-N 3.42Å; K520-A522 VanDerWaalsContact C-N 3.29Å; K520-A522 PolarHBondContact O-N 2.93Å; K520-C523 PolarHBondContact O-N 3.36Å; K520-F525 HydrophobicContact CB-CE1 4.48Å; K520-F525 HydrophobicContact CG-CE1 4.12Å; K520-F525 HydrophobicContact CG-CZ 4.1Å
521	A	89.2	Confident	92.1	Very high	79 Å²	79	43.7 Å²	43.7	65%	0.653	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-31.3	176.5	0	0	0	0	0	112.5	D518 C523	D518-A521 HydrophobicContact CB-CB 4.18Å; D518-A521 PolarHBondContact O-N 3.5Å; D518-A521 PolarHBondContact OD1-N 3.27Å; A521-C523 VanDerWaalsContact C-N 3.25Å; A521-C523 PolarHBondContact O-N 3.41Å
522	A	90.2	Very high	92.3	Very high	35 Å²	35	43.6 Å²	43.6	29%	0.289	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	5.2	174.8	0	0	0	0	0	114.3	D518 K520 I524	D518-A522 PolarHBondContact O-N 3.35Å; K520-A522 VanDerWaalsContact C-N 3.29Å; K520-A522 PolarHBondContact O-N 2.93Å; A522-I524 VanDerWaalsContact C-N 3.26Å; A522-I524 HydrophobicContact CB-CG1 4.12Å; A522-I524 PolarHBondContact O-N 3.16Å
523	C	91.2	Very high	92.7	Very high	35 Å²	35	37 Å²	37	24%	0.236	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	31.7	-179.5	-64.2	0	0	0	0	115.1	G172 N519 K520 A521 F525	G172-C523 CarbonylContact C-O 3.48Å; G172-C523 WeakPolarHBondContact CA-O 3.27Å; N519-C523 PolarHBondContact O-N 3.28Å; K520-C523 PolarHBondContact O-N 3.36Å; A521-C523 VanDerWaalsContact C-N 3.25Å; A521-C523 PolarHBondContact O-N 3.41Å; C523-F525 HydrophobicContact CB-CD2 4.41Å; C523-F525 HydrophobicContact CB-CE2 4.03Å; C523-F525 PolarHBondContact O-N 3.44Å
524	I	93.9	Very high	93	Very high	43 Å²	43	33.7 Å²	33.7	22%	0.221	18%	0.183	C	C	.	.			trans	-88.7	94.8	176.3	-53.1	-58.6	0	0	0	108.9	T176 G432 N519 A522	T176-I524 HydrophobicContact CG2-CG2 3.95Å; G432-I524 PolarHBondContact N-O 3.46Å; N519-I524 HydrophobicContact CB-CB 4.16Å; N519-I524 PolarHBondContact O-N 3.41Å; A522-I524 VanDerWaalsContact C-N 3.26Å; A522-I524 HydrophobicContact CB-CG1 4.12Å; A522-I524 PolarHBondContact O-N 3.16Å
525	F	94.6	Very high	93.3	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.009	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142.6	-173.8	-63	-59.5	0	0	0	112.1	I160 L165 V173 T176 V429 V430 V431 K520 C523	I160-F525 HydrophobicContact CD1-CE1 4Å; L165-F525 HydrophobicContact CD1-CD1 4.46Å; L165-F525 HydrophobicContact CD1-CD2 4.3Å; L165-F525 HydrophobicContact CD1-CE1 4.12Å; L165-F525 HydrophobicContact CD1-CE2 3.93Å; L165-F525 HydrophobicContact CD1-CZ 3.84Å; L165-F525 HydrophobicContact CD2-CE2 4.24Å; L165-F525 HydrophobicContact CD2-CZ 3.84Å; V173-F525 HydrophobicContact CG2-CB 3.58Å; T176-F525 WeakPolarHBondContact CB-O 3.39Å; T176-F525 PolarHBondContact OG1-N 3.21Å; T176-F525 PolarHBondContact OG1-O 2.72Å; V429-F525 HydrophobicContact CB-CB 4.39Å; V429-F525 HydrophobicContact CG2-CD1 4.15Å; V429-F525 HydrophobicContact CG2-CG 4.42Å; V430-F525 WeakPolarHBondContact O-CA 3.35Å; V431-F525 HydrophobicContact CG2-CD1 4.47Å; V431-F525 HydrophobicContact CG2-CE1 4.27Å; K520-F525 HydrophobicContact CB-CE1 4.48Å; K520-F525 HydrophobicContact CG-CE1 4.12Å; K520-F525 HydrophobicContact CG-CZ 4.1Å; C523-F525 HydrophobicContact CB-CD2 4.41Å; C523-F525 HydrophobicContact CB-CE2 4.03Å; C523-F525 PolarHBondContact O-N 3.44Å
526	E	94	Very high	93.6	Very high	29 Å²	29	32 Å²	32	14%	0.136	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	152	173.4	-67.3	-177.3	-134.3	0	0	110.3	T176 V429 V430 G432 L528 K531	T176-E526 HydrophobicContact CG2-CG 4.02Å; V429-E526 WeakPolarHBondContact CA-O 3.47Å; V430-E526 HydrophobicContact CG2-CB 4.25Å; V430-E526 PolarHBondContact N-O 3.41Å; V430-E526 PolarHBondContact O-N 3.16Å; G432-E526 WeakPolarHBondContact CA-OE1 3.36Å; E526-L528 PolarHBondContact O-N 3.45Å; E526-K531 VanDerWaalsContact CD-CE 3.49Å; E526-K531 IonicContact OE1-NZ 3.76Å; E526-K531 PolarHBondContact OE1-NZ 3.04Å; E526-K531 WeakPolarHBondContact OE2-CE 3.48Å; E526-K531 IonicContact OE2-NZ 3.76Å; E526-K531 PolarHBondContact OE2-NZ 3.05Å
527	P	94	Very high	93.8	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.013	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	132.8	175	-10.8	22.8	0	0	0	111	R422 V423 E529 S530	R422-P527 HydrophobicContact CB-CB 4.02Å; R422-P527 HydrophobicContact CB-CG 4.43Å; V423-P527 HydrophobicContact CG2-CB 3.68Å; V423-P527 HydrophobicContact CG2-CG 3.75Å; P527-E529 VanDerWaalsContact C-N 3.26Å; P527-E529 PolarHBondContact O-N 3Å; P527-S530 VanDerWaalsContact O-CB 3.26Å; P527-S530 WeakPolarHBondContact O-CB 3.46Å; P527-S530 PolarHBondContact O-N 3.27Å
528	L	94.4	Very high	94	Very high	10 Å²	10	29.6 Å²	29.6	5%	0.052	16%	0.161	C	C	.	.	H	α-helix	trans	-56.9	-42.3	175.7	175	65.9	0	0	0	111.5	M154 E155 T159 K428 V430 E526 S530 K531 V532	M154-L528 HydrophobicContact CB-CD1 4.19Å; M154-L528 HydrophobicContact CE-CD1 3.99Å; E155-L528 HydrophobicContact CG-CD2 4.18Å; T159-L528 HydrophobicContact CG2-CD2 4.32Å; K428-L528 HydrophobicContact CB-CB 4.1Å; K428-L528 HydrophobicContact CB-CD2 3.93Å; K428-L528 HydrophobicContact CD-CD2 3.85Å; K428-L528 PolarHBondContact O-N 2.94Å; V430-L528 HydrophobicContact CG1-CB 4.03Å; V430-L528 HydrophobicContact CG1-CD1 3.49Å; V430-L528 VanDerWaalsContact CG1-CD1 3.49Å; V430-L528 HydrophobicContact CG1-CG 4.33Å; E526-L528 PolarHBondContact O-N 3.45Å; L528-S530 PolarHBondContact O-N 2.85Å; L528-K531 PolarHBondContact O-N 3.22Å; L528-V532 HydrophobicContact CD1-CG2 3.97Å; L528-V532 HydrophobicContact CG-CG2 4.15Å; L528-V532 WeakPolarHBondContact O-CG2 3.24Å; L528-V532 PolarHBondContact O-N 3.14Å
529	E	92.5	Very high	94.3	Very high	53 Å²	53	28.1 Å²	28.1	25%	0.248	15%	0.153	C	C	.	.	H	α-helix	trans	-59.1	-32.3	179.9	-162.7	-175	160.1	0	0	111.9	R422 P527 K533	R422-E529 VanDerWaalsContact CD-OE2 3.25Å; R422-E529 WeakPolarHBondContact CD-OE2 3.44Å; R422-E529 IonicContact NH1-OE1 3.12Å; R422-E529 PolarHBondContact NH1-OE1 3.45Å; R422-E529 IonicContact NH1-OE2 2.66Å; P527-E529 VanDerWaalsContact C-N 3.26Å; P527-E529 PolarHBondContact O-N 3Å; E529-K533 HydrophobicContact CG-CD 4.21Å; E529-K533 WeakPolarHBondContact O-CB 3.32Å; E529-K533 WeakPolarHBondContact O-CG 3.24Å; E529-K533 PolarHBondContact O-N 2.97Å; E529-K533 WeakPolarHBondContact OE1-CE 3.28Å; E529-K533 IonicContact OE1-NZ 2.9Å; E529-K533 PolarHBondContact OE1-NZ 3.26Å
530	S	94.3	Very high	94.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.5	-56.4	176.2	-176	0	0	0	0	110.6	P527 L528 V532 K533 I534	P527-S530 VanDerWaalsContact O-CB 3.26Å; P527-S530 WeakPolarHBondContact O-CB 3.46Å; P527-S530 PolarHBondContact O-N 3.27Å; L528-S530 PolarHBondContact O-N 2.85Å; S530-V532 PolarHBondContact O-N 3.35Å; S530-K533 PolarHBondContact O-N 3.37Å; S530-I534 VanDerWaalsContact O-CG1 3.25Å; S530-I534 WeakPolarHBondContact O-CG1 3.43Å; S530-I534 PolarHBondContact O-N 2.73Å
531	K	95.1	Very high	94.8	Very high	10 Å²	10	29.4 Å²	29.4	4%	0.043	16%	0.162	C	C	.	.	H	α-helix	trans	-63.3	-41.5	-179.2	-61.6	-62.7	-159.4	-168	0	113.1	M154 V430 V436 E437 E526 L528 K533 I534 L535	M154-K531 HydrophobicContact CE-CB 3.33Å; M154-K531 HydrophobicContact CE-CG 4.14Å; V430-K531 HydrophobicContact CG2-CG 3.86Å; V436-K531 HydrophobicContact CG1-CG 4.49Å; E437-K531 WeakPolarHBondContact OE1-CE 3.29Å; E437-K531 IonicContact OE1-NZ 3.9Å; E437-K531 PolarHBondContact OE1-NZ 3.41Å; E437-K531 IonicContact OE2-NZ 3.58Å; E526-K531 VanDerWaalsContact CD-CE 3.49Å; E526-K531 IonicContact OE1-NZ 3.76Å; E526-K531 PolarHBondContact OE1-NZ 3.04Å; E526-K531 WeakPolarHBondContact OE2-CE 3.48Å; E526-K531 IonicContact OE2-NZ 3.76Å; E526-K531 PolarHBondContact OE2-NZ 3.05Å; L528-K531 PolarHBondContact O-N 3.22Å; K531-K533 VanDerWaalsContact C-N 3.33Å; K531-K533 PolarHBondContact O-N 3.16Å; K531-I534 HydrophobicContact CD-CD1 4.44Å; K531-I534 PolarHBondContact O-N 3.17Å; K531-L535 PolarHBondContact O-N 2.97Å
532	V	95.6	Very high	95.1	Very high	12 Å²	12	25.7 Å²	25.7	7%	0.073	13%	0.132	C	C	.	.	H	α-helix	trans	-61.4	-42.7	178.1	170.4	0	0	0	0	111.1	V151 M154 L528 S530 K536	V151-V532 HydrophobicContact CG1-CG1 3.87Å; V151-V532 HydrophobicContact CG1-CG2 4.23Å; V151-V532 HydrophobicContact CG2-CG1 4.09Å; M154-V532 HydrophobicContact CE-CG2 4.43Å; L528-V532 HydrophobicContact CD1-CG2 3.97Å; L528-V532 HydrophobicContact CG-CG2 4.15Å; L528-V532 WeakPolarHBondContact O-CG2 3.24Å; L528-V532 PolarHBondContact O-N 3.14Å; S530-V532 PolarHBondContact O-N 3.35Å; V532-K536 HydrophobicContact CG1-CD 4.07Å; V532-K536 WeakPolarHBondContact O-CG 3.27Å; V532-K536 PolarHBondContact O-N 3.46Å; V532-K536 VanDerWaalsContact O-N 3.13Å
533	K	95.6	Very high	95.4	Very high	30 Å²	30	24.1 Å²	24.1	13%	0.13	12%	0.118	C	C	.	.	H	α-helix	trans	-69.4	-40.5	176.9	-79.1	178.1	170.8	177.5	0	112.2	E107 V108 E529 S530 K531 L535 K536 F537	E107-K533 HydrophobicContact CB-CD 4.43Å; E107-K533 PolarHBondContact O-NZ 3.45Å; E107-K533 VanDerWaalsContact O-NZ 3.11Å; E107-K533 IonicContact OE2-NZ 3.45Å; E107-K533 PolarHBondContact OE2-NZ 3Å; E107-K533 VanDerWaalsContact OE2-NZ 3.07Å; V108-K533 HydrophobicContact CG2-CB 3.96Å; V108-K533 HydrophobicContact CG2-CD 3.3Å; V108-K533 HydrophobicContact CG2-CG 4.24Å; E529-K533 HydrophobicContact CG-CD 4.21Å; E529-K533 WeakPolarHBondContact O-CB 3.32Å; E529-K533 WeakPolarHBondContact O-CG 3.24Å; E529-K533 PolarHBondContact O-N 2.97Å; E529-K533 WeakPolarHBondContact OE1-CE 3.28Å; E529-K533 IonicContact OE1-NZ 2.9Å; E529-K533 PolarHBondContact OE1-NZ 3.26Å; S530-K533 PolarHBondContact O-N 3.37Å; K531-K533 VanDerWaalsContact C-N 3.33Å; K531-K533 PolarHBondContact O-N 3.16Å; K533-L535 VanDerWaalsContact C-N 3.34Å; K533-L535 PolarHBondContact O-N 3.36Å; K533-K536 PolarHBondContact O-N 3.46Å; K533-F537 HydrophobicContact CB-CD2 4.26Å; K533-F537 HydrophobicContact CB-CE2 4.01Å; K533-F537 HydrophobicContact CB-CZ 4.41Å; K533-F537 HydrophobicContact CD-CE2 4.36Å; K533-F537 HydrophobicContact CD-CZ 4.39Å; K533-F537 HydrophobicContact CG-CE2 4.32Å; K533-F537 HydrophobicContact CG-CZ 4.28Å; K533-F537 WeakPolarHBondContact O-CB 3.49Å; K533-F537 VanDerWaalsContact O-CG 3.28Å; K533-F537 WeakPolarHBondContact O-CG 3.42Å; K533-F537 PolarHBondContact O-N 3.33Å
534	I	96.8	Very high	95.6	Very high	11 Å²	11	26 Å²	26	6%	0.056	13%	0.128	C	C	.	.	H	α-helix	trans	-53.7	-51.3	173.6	-70.9	164.7	0	0	0	110.4	V115 L118 S530 K531 K536 A538	V115-I534 HydrophobicContact CB-CG1 4.37Å; V115-I534 HydrophobicContact CB-CG2 4.23Å; L118-I534 HydrophobicContact CD2-CG2 4.1Å; S530-I534 VanDerWaalsContact O-CG1 3.25Å; S530-I534 WeakPolarHBondContact O-CG1 3.43Å; S530-I534 PolarHBondContact O-N 2.73Å; K531-I534 HydrophobicContact CD-CD1 4.44Å; K531-I534 PolarHBondContact O-N 3.17Å; I534-K536 PolarHBondContact O-N 3.29Å; I534-A538 WeakPolarHBondContact O-CB 3.33Å; I534-A538 PolarHBondContact O-N 2.89Å
535	L	96.7	Very high	95.7	Very high	11 Å²	11	24 Å²	24	6%	0.058	12%	0.119	C	C	.	.	H	α-helix	trans	-60.3	-48.8	179.3	-71.6	179.9	0	0	0	111.9	L118 V151 M154 L466 K531 K533 T539	L118-L535 HydrophobicContact CD2-CD2 3.74Å; V151-L535 HydrophobicContact CG2-CD1 4.49Å; M154-L535 HydrophobicContact SD-CD1 3.55Å; M154-L535 VanDerWaalsContact SD-CD1 3.55Å; L466-L535 HydrophobicContact CD2-CD2 3.54Å; K531-L535 PolarHBondContact O-N 2.97Å; K533-L535 VanDerWaalsContact C-N 3.34Å; K533-L535 PolarHBondContact O-N 3.36Å; L535-T539 VanDerWaalsContact O-CB 3.24Å; L535-T539 WeakPolarHBondContact O-CB 3.38Å; L535-T539 PolarHBondContact O-N 2.92Å; L535-T539 PolarHBondContact O-OG1 3.19Å
536	K	97	Very high	95.6	Very high	98 Å²	98	24.3 Å²	24.3	43%	0.426	12%	0.12	S	C	.	.	H	α-helix	trans	-63.3	-50	-178.2	-73.4	175.8	-179.2	174	0	111.6	V532 K533 I534 T539 E540	V532-K536 HydrophobicContact CG1-CD 4.07Å; V532-K536 WeakPolarHBondContact O-CG 3.27Å; V532-K536 PolarHBondContact O-N 3.46Å; V532-K536 VanDerWaalsContact O-N 3.13Å; K533-K536 PolarHBondContact O-N 3.46Å; I534-K536 PolarHBondContact O-N 3.29Å; K536-T539 PolarHBondContact O-N 2.9Å; K536-E540 WeakPolarHBondContact O-CG 3.48Å; K536-E540 PolarHBondContact O-N 3.48Å
537	F	97.4	Very high	95.5	Very high	46 Å²	46	31 Å²	31	20%	0.202	14%	0.144	C	C	.	.	H	α-helix	trans	-68.6	-43.5	-176.8	-64.6	-19.8	0	0	0	112.2	L100 L103 Q104 E107 V115 K533 T539 E540 A541	L100-F537 HydrophobicContact CD1-CB 3.64Å; L103-F537 HydrophobicContact CD2-CD1 4.44Å; L103-F537 HydrophobicContact CD2-CD2 4.42Å; L103-F537 HydrophobicContact CD2-CE1 4.34Å; L103-F537 HydrophobicContact CD2-CE2 4.33Å; L103-F537 HydrophobicContact CD2-CG 4.49Å; L103-F537 HydrophobicContact CD2-CZ 4.29Å; L103-F537 HydrophobicContact CG-CE2 4.22Å; L103-F537 HydrophobicContact CG-CZ 4.42Å; Q104-F537 VanDerWaalsContact OE1-CD2 3.23Å; E107-F537 HydrophobicContact CB-CE2 4.17Å; E107-F537 HydrophobicContact CB-CZ 4.4Å; E107-F537 HydrophobicContact CG-CE2 4.4Å; E107-F537 HydrophobicContact CG-CZ 4.25Å; V115-F537 HydrophobicContact CG2-CB 4.1Å; K533-F537 HydrophobicContact CB-CD2 4.26Å; K533-F537 HydrophobicContact CB-CE2 4.01Å; K533-F537 HydrophobicContact CB-CZ 4.41Å; K533-F537 HydrophobicContact CD-CE2 4.36Å; K533-F537 HydrophobicContact CD-CZ 4.39Å; K533-F537 HydrophobicContact CG-CE2 4.32Å; K533-F537 HydrophobicContact CG-CZ 4.28Å; K533-F537 WeakPolarHBondContact O-CB 3.49Å; K533-F537 VanDerWaalsContact O-CG 3.28Å; K533-F537 WeakPolarHBondContact O-CG 3.42Å; K533-F537 PolarHBondContact O-N 3.33Å; F537-T539 VanDerWaalsContact C-N 3.31Å; F537-T539 PolarHBondContact O-N 3.32Å; F537-E540 PolarHBondContact O-N 3.14Å; F537-A541 WeakPolarHBondContact O-CB 3.48Å; F537-A541 PolarHBondContact O-N 2.72Å
538	A	97.3	Very high	95.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.1	-41.9	175.9	0	0	0	0	0	111.7	V115 L118 A119 L122 I534 A542	V115-A538 HydrophobicContact CG2-CB 3.99Å; L118-A538 HydrophobicContact CB-CB 4.12Å; L118-A538 HydrophobicContact CD2-CB 3.84Å; L118-A538 HydrophobicContact CG-CB 3.96Å; A119-A538 HydrophobicContact CB-CB 3.9Å; L122-A538 HydrophobicContact CD1-CB 4.46Å; I534-A538 WeakPolarHBondContact O-CB 3.33Å; I534-A538 PolarHBondContact O-N 2.89Å; A538-A542 WeakPolarHBondContact O-CB 3.49Å; A538-A542 PolarHBondContact O-N 2.93Å
539	T	97.3	Very high	95.3	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-63.9	-49.3	177.9	-55.2	0	0	0	0	110.9	C147 Y462 L535 K536 F537 A541 A542 L543	C147-T539 HydrophobicContact CB-CG2 4.07Å; Y462-T539 HydrophobicContact CE2-CG2 4.21Å; Y462-T539 WeakPolarHBondContact CE2-OG1 3.49Å; Y462-T539 PolarHBondContact OH-OG1 3.13Å; L535-T539 VanDerWaalsContact O-CB 3.24Å; L535-T539 WeakPolarHBondContact O-CB 3.38Å; L535-T539 PolarHBondContact O-N 2.92Å; L535-T539 PolarHBondContact O-OG1 3.19Å; K536-T539 PolarHBondContact O-N 2.9Å; F537-T539 VanDerWaalsContact C-N 3.31Å; F537-T539 PolarHBondContact O-N 3.32Å; T539-A541 VanDerWaalsContact C-N 3.34Å; T539-A541 PolarHBondContact O-N 2.99Å; T539-A542 PolarHBondContact O-N 3.02Å; T539-L543 HydrophobicContact CG2-CD1 3.94Å; T539-L543 HydrophobicContact CG2-CG 4.2Å; T539-L543 WeakPolarHBondContact O-CB 3.2Å; T539-L543 WeakPolarHBondContact O-CG 3.32Å; T539-L543 PolarHBondContact O-N 3.19Å
540	E	96.8	Very high	95.2	Very high	100 Å²	100	37 Å²	37	47%	0.467	18%	0.177	S	C	.	.	H	α-helix	trans	-63.4	-37.9	179.6	-73	-57.7	141.5	0	0	112.9	K536 F537 L543 T544	K536-E540 WeakPolarHBondContact O-CG 3.48Å; K536-E540 PolarHBondContact O-N 3.48Å; F537-E540 PolarHBondContact O-N 3.14Å; E540-L543 PolarHBondContact O-N 3.23Å; E540-T544 WeakPolarHBondContact O-CB 3.01Å; E540-T544 PolarHBondContact O-N 3.32Å; E540-T544 PolarHBondContact O-OG1 3.24Å
541	A	96.4	Very high	95	Very high	9 Å²	9	38 Å²	38	7%	0.074	18%	0.182	C	C	.	.	H	α-helix	trans	-63.5	-47.3	174	0	0	0	0	0	111.7	I96 L100 F537 T539 L543 T544 I545	I96-A541 HydrophobicContact CG2-CB 4.49Å; L100-A541 HydrophobicContact CD1-CB 4.1Å; L100-A541 HydrophobicContact CD2-CB 3.74Å; L100-A541 HydrophobicContact CG-CB 4.44Å; F537-A541 WeakPolarHBondContact O-CB 3.48Å; F537-A541 PolarHBondContact O-N 2.72Å; T539-A541 VanDerWaalsContact C-N 3.34Å; T539-A541 PolarHBondContact O-N 2.99Å; A541-L543 PolarHBondContact O-N 3.29Å; A541-T544 PolarHBondContact O-N 3.11Å; A541-I545 WeakPolarHBondContact O-CG1 3.41Å; A541-I545 PolarHBondContact O-N 2.88Å
542	A	96.4	Very high	94.8	Very high	2 Å²	2	41.8 Å²	41.8	2%	0.017	20%	0.202	C	C	.	.	H	α-helix	trans	-61	-45.1	177	0	0	0	0	0	111.6	L122 L123 A538 T539 T544 I545 L546	L122-A542 HydrophobicContact CB-CB 3.96Å; L122-A542 HydrophobicContact CD1-CB 4.34Å; L123-A542 HydrophobicContact CD2-CB 4.25Å; L123-A542 WeakPolarHBondContact CD2-O 3.26Å; L123-A542 HydrophobicContact CG-CB 3.95Å; A538-A542 WeakPolarHBondContact O-CB 3.49Å; A538-A542 PolarHBondContact O-N 2.93Å; T539-A542 PolarHBondContact O-N 3.02Å; A542-T544 VanDerWaalsContact C-N 3.33Å; A542-T544 PolarHBondContact O-N 2.72Å; A542-I545 PolarHBondContact O-N 2.67Å; A542-L546 VanDerWaalsContact O-CB 3.24Å; A542-L546 WeakPolarHBondContact O-CB 3.02Å; A542-L546 PolarHBondContact O-N 3.49Å
543	L	95.8	Very high	94.3	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-61.1	-41.6	176.8	-68.7	176.4	0	0	0	112	M140 R144 T539 E540 A541 L546 R547	M140-L543 VanDerWaalsContact CA-CD2 3.46Å; M140-L543 HydrophobicContact CB-CD2 3.58Å; M140-L543 HydrophobicContact CE-CB 4.34Å; M140-L543 HydrophobicContact CE-CD2 4.23Å; M140-L543 HydrophobicContact CG-CD2 3.57Å; R144-L543 HydrophobicContact CG-CD1 3.62Å; T539-L543 HydrophobicContact CG2-CD1 3.94Å; T539-L543 HydrophobicContact CG2-CG 4.2Å; T539-L543 WeakPolarHBondContact O-CB 3.2Å; T539-L543 WeakPolarHBondContact O-CG 3.32Å; T539-L543 PolarHBondContact O-N 3.19Å; E540-L543 PolarHBondContact O-N 3.23Å; A541-L543 PolarHBondContact O-N 3.29Å; L543-L546 PolarHBondContact O-N 3.28Å; L543-R547 VanDerWaalsContact O-CG 3.31Å; L543-R547 WeakPolarHBondContact O-CG 3.39Å; L543-R547 PolarHBondContact O-N 2.92Å
544	T	95.5	Very high	93.9	Very high	73 Å²	73	51 Å²	51	45%	0.448	25%	0.248	S	C	.	.	H	α-helix	trans	-63	-45.4	179.2	-60.7	0	0	0	0	111	E540 A541 A542	E540-T544 WeakPolarHBondContact O-CB 3.01Å; E540-T544 PolarHBondContact O-N 3.32Å; E540-T544 PolarHBondContact O-OG1 3.24Å; A541-T544 PolarHBondContact O-N 3.11Å; A542-T544 VanDerWaalsContact C-N 3.33Å; A542-T544 PolarHBondContact O-N 2.72Å
545	I	95.3	Very high	93.2	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.015	28%	0.278	C	S	.	.	H	α-helix	trans	-69	-39.6	179.3	-67.3	168.6	0	0	0	111.3	N23 V27 A93 I96 M97 L123 A541 A542 R547 I548	N23-I545 HydrophobicContact CB-CG2 3.76Å; V27-I545 HydrophobicContact CG2-CD1 3.98Å; A93-I545 HydrophobicContact CB-CD1 4.42Å; A93-I545 HydrophobicContact CB-CG2 4.47Å; I96-I545 HydrophobicContact CB-CD1 4.33Å; I96-I545 HydrophobicContact CD1-CD1 4.42Å; I96-I545 HydrophobicContact CD1-CG1 3.89Å; I96-I545 HydrophobicContact CG2-CD1 4.05Å; I96-I545 HydrophobicContact CG2-CG1 4.37Å; M97-I545 HydrophobicContact CE-CD1 4.2Å; L123-I545 HydrophobicContact CD1-CB 4.07Å; L123-I545 HydrophobicContact CD1-CD1 3.81Å; L123-I545 HydrophobicContact CD1-CG2 3.91Å; L123-I545 HydrophobicContact CD2-CB 4.09Å; L123-I545 HydrophobicContact CD2-CG2 3.94Å; A541-I545 WeakPolarHBondContact O-CG1 3.41Å; A541-I545 PolarHBondContact O-N 2.88Å; A542-I545 PolarHBondContact O-N 2.67Å; I545-R547 PolarHBondContact O-N 3.41Å; I545-I548 WeakPolarHBondContact O-CB 3.27Å; I545-I548 PolarHBondContact O-N 3.24Å; I545-I548 VanDerWaalsContact O-N 3.11Å
546	L	93.3	Very high	92.4	Very high	7 Å²	7	66.5 Å²	66.5	4%	0.037	32%	0.317	C	S	.	.	H	α-helix	trans	-64.3	-27.7	-178.3	-167.3	64.6	0	0	0	113.1	L123 A126 I130 P136 I139 M140 A542 L543 I548	L123-L546 HydrophobicContact CD2-CB 4.36Å; A126-L546 HydrophobicContact CB-CD1 3.83Å; A126-L546 HydrophobicContact CB-CD2 4.04Å; I130-L546 HydrophobicContact CD1-CD1 3.48Å; I130-L546 VanDerWaalsContact CD1-CD1 3.48Å; I130-L546 HydrophobicContact CD1-CG 4.48Å; P136-L546 HydrophobicContact CB-CD2 4.49Å; P136-L546 HydrophobicContact CB-CG 4.25Å; I139-L546 HydrophobicContact CB-CD2 4.26Å; I139-L546 HydrophobicContact CG2-CD2 4.13Å; M140-L546 HydrophobicContact CG-CD2 3.9Å; A542-L546 VanDerWaalsContact O-CB 3.24Å; A542-L546 WeakPolarHBondContact O-CB 3.02Å; A542-L546 PolarHBondContact O-N 3.49Å; L543-L546 PolarHBondContact O-N 3.28Å; L546-I548 VanDerWaalsContact C-N 3.26Å; L546-I548 PolarHBondContact O-N 2.94Å
547	R	92.9	Very high	91.2	Very high	171 Å²	171	70.6 Å²	70.6	65%	0.645	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-18.4	176.4	-72.3	176.6	83.1	173.9	0.2	113.7	M140 L543 I545 D549	M140-R547 VanDerWaalsContact CE-CD 3.46Å; M140-R547 HydrophobicContact CE-CG 3.34Å; M140-R547 HydrophobicContact SD-CG 3.57Å; M140-R547 VanDerWaalsContact SD-CG 3.57Å; L543-R547 VanDerWaalsContact O-CG 3.31Å; L543-R547 WeakPolarHBondContact O-CG 3.39Å; L543-R547 PolarHBondContact O-N 2.92Å; I545-R547 PolarHBondContact O-N 3.41Å; R547-D549 PolarHBondContact O-N 3.02Å
548	I	93.4	Very high	89.5	Confident	54 Å²	54	77.8 Å²	77.8	28%	0.277	37%	0.369	S	S	.	.			trans	-77.1	111.3	-176.1	-54.8	172.4	0	0	0	108.7	V19 R20 I545 L546	V19-I548 HydrophobicContact CG1-CG2 3.93Å; R20-I548 WeakPolarHBondContact CG-O 3.49Å; I545-I548 WeakPolarHBondContact O-CB 3.27Å; I545-I548 PolarHBondContact O-N 3.24Å; I545-I548 VanDerWaalsContact O-N 3.11Å; L546-I548 VanDerWaalsContact C-N 3.26Å; L546-I548 PolarHBondContact O-N 2.94Å
549	D	90.8	Very high	87.6	Confident	90 Å²	90	86.3 Å²	86.3	48%	0.481	41%	0.409	S	S	.	.			trans	-108	-17.7	174.6	68.2	-26.5	0	0	0	113.2	A15 G16 R547	A15-D549 CarbonylContact C-O 3.58Å; A15-D549 WeakPolarHBondContact CA-O 3.43Å; G16-D549 PolarHBondContact N-O 3.39Å; R547-D549 PolarHBondContact O-N 3.02Å
550	D	90.1	Very high	85.3	Confident	47 Å²	47	97.3 Å²	97.3	25%	0.251	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130.8	-178.3	-154.8	-3.1	0	0	0	110.6	R13	R13-D550 VanDerWaalsContact CG-OD1 3.26Å; R13-D550 WeakPolarHBondContact CG-OD1 3.39Å; R13-D550 IonicContact CZ-OD2 3.08Å; R13-D550 IonicContact NE-OD1 3.68Å; R13-D550 PolarHBondContact NE-OD1 3.35Å; R13-D550 VanDerWaalsContact NE-OD1 3.11Å; R13-D550 IonicContact NE-OD2 2.73Å; R13-D550 PolarHBondContact NE-OD2 3.12Å; R13-D550 IonicContact NH2-OD2 2.75Å; R13-D550 PolarHBondContact NH2-OD2 3.29Å
551	M	89.5	Confident	83	Confident	20 Å²	20	99.9 Å²	99.9	10%	0.099	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	116.6	177.8	-169.2	-165.9	-40.7	0	0	109.3	R13 T14 V19	R13-M551 WeakPolarHBondContact CA-O 3.41Å; T14-M551 PolarHBondContact N-O 3.03Å; T14-M551 PolarHBondContact O-N 3Å; V19-M551 HydrophobicContact CG1-CB 3.92Å; V19-M551 HydrophobicContact CG1-CE 3.94Å; V19-M551 HydrophobicContact CG2-CB 3.98Å
552	I	90	Very high	80.7	Confident	90 Å²	90	110.6 Å²	110.6	46%	0.462	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	108.7	-178.2	-55.5	175.7	0	0	0	108.8	V9 R13 L554	V9-I552 HydrophobicContact CG1-CG2 3.7Å; R13-I552 HydrophobicContact CG-CG1 4.13Å; I552-L554 HydrophobicContact CG2-CD2 4.15Å
553	Q	86.4	Confident	78.3	Confident	104 Å²	104	116.4 Å²	116.4	49%	0.486	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	111.9	173.2	-72.8	-176.7	-9.4	0	0	109.8	G11 K12	G11-Q553 CarbonylContact C-O 3.53Å; G11-Q553 WeakPolarHBondContact CA-O 3.32Å; K12-Q553 PolarHBondContact N-O 3.15Å; K12-Q553 PolarHBondContact O-N 2.98Å
554	L	87.2	Confident	76	Confident	130 Å²	130	119.6 Å²	119.6	68%	0.681	58%	0.576	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.1	141.5	174.6	-58.8	175.9	0	0	0	110.6	V9 I552	V9-L554 HydrophobicContact CG1-CD2 3.78Å; I552-L554 HydrophobicContact CG2-CD2 4.15Å
555	E	81.8	Confident	73.4	Confident	147 Å²	147	127.5 Å²	127.5	69%	0.687	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-68	137.3	169.1	-70	-177.2	170.8	0	0	110.1	R10 Q557	R10-E555 PolarHBondContact O-N 3.37Å; E555-Q557 PolarHBondContact O-N 2.9Å
556	K	80	Confident	71.4	Confident	202 Å²	202	133.2 Å²	133.2	88%	0.878	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-60.1	123.3	171.4	-75.1	-174.8	177.1	-177.4	0	108	K558	K556-K558 PolarHBondContact O-N 2.71Å
557	Q	71.1	Confident	69.2	Low	183 Å²	183	147.2 Å²	147.2	86%	0.855	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-58.1	117.5	166.7	-76.9	-173.7	-9	0	0	107.2	E555 E559	E555-Q557 PolarHBondContact O-N 2.9Å; Q557-E559 PolarHBondContact O-N 2.82Å
558	K	61.8	Low	68.1	Low	197 Å²	197	146 Å²	146	86%	0.857	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-57	116.1	164	-75.6	-177.6	175.5	-178.2	0	105.7	K556 R560	K556-K558 PolarHBondContact O-N 2.71Å; K558-R560 PolarHBondContact O-N 3.07Å
559	E	57.4	Low	66.7	Low	180 Å²	180	150.8 Å²	150.8	84%	0.841	71%	0.713	S	S	*	*			trans	-50.9	114	166.5	-80.4	-177.1	148.1	0	0	105.8	Q557 D561	Q557-E559 PolarHBondContact O-N 2.82Å; E559-D561 PolarHBondContact O-N 2.9Å
560	R	49.8	Very low	65.4	Low	232 Å²	232	154.2 Å²	154.2	88%	0.875	73%	0.726	S	S	*	*			trans	-59.6	111.4	168.1	-78.4	-180	171.6	-179.3	-3.8	104.4	K558 R562	K558-R560 PolarHBondContact O-N 3.07Å; R560-R562 PolarHBondContact O-N 3.3Å
561	D	48.5	Very low	63.9	Low	155 Å²	155	160.5 Å²	160.5	83%	0.829	75%	0.754	S	S	*	*			trans	-39.9	109.4	164.5	-77.5	-44.8	0	0	0	106.9	E559 P563	E559-D561 PolarHBondContact O-N 2.9Å; D561-P563 VanDerWaalsContact O-CD 3.24Å; D561-P563 WeakPolarHBondContact O-CD 3.24Å
562	R	47.9	Very low	62.3	Low	234 Å²	234	169.3 Å²	169.3	88%	0.883	80%	0.795	S	S	*	*			trans	-60	115.8	170.6	-76.5	-179.8	175	177.9	-0.6	104.3	R560 G564	R560-R562 PolarHBondContact O-N 3.3Å; R562-G564 PolarHBondContact O-N 3.46Å; R562-G564 VanDerWaalsContact O-N 3.15Å
563	P	45.5	Very low	60.5	Low	124 Å²	124	174.6 Å²	174.6	81%	0.805	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-57.8	128.4	175.3	25.3	-31.5	0	0	0	106.6	D561 R565	D561-P563 VanDerWaalsContact O-CD 3.24Å; D561-P563 WeakPolarHBondContact O-CD 3.24Å; P563-R565 PolarHBondContact O-N 2.89Å
564	G	47	Very low	58.7	Low	68 Å²	68	179.6 Å²	179.6	70%	0.701	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-48.5	137.9	-168.8	0	0	0	0	0	112.5	R562 P566	R562-G564 PolarHBondContact O-N 3.46Å; R562-G564 VanDerWaalsContact O-N 3.15Å; G564-P566 WeakPolarHBondContact O-CD 3.42Å
565	R	41.4	Very low	56.5	Low	240 Å²	240	183.5 Å²	183.5	91%	0.906	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-63.4	120.5	155.7	-80.7	-176.7	174.9	-177.3	-2.6	106.5	P563 Y567	P563-R565 PolarHBondContact O-N 2.89Å; R565-Y567 PolarHBondContact O-N 3.25Å
566	P	53.9	Low	54.4	Low	122 Å²	122	186.5 Å²	186.5	79%	0.792	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-66.8	132.2	162.3	17.3	-6.7	0	0	0	107.3	G564	G564-P566 WeakPolarHBondContact O-CD 3.42Å
567	Y	48.2	Very low	52	Low	301 Å²	301	185.1 Å²	185.1	100%	1.18	87%	0.866	S	S	*	*			trans	-63	0	164.6	-85.6	-87.5	0	0	0	111	R565	R565-Y567 PolarHBondContact O-N 3.25Å

Retrieved 567 of 567 residues in 271.3 ms (Link to these results)

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