A0A096NSM4_PAPAN Loading...

Serine/threonine-protein kinase receptor

On ligand binding, forms a receptor complex consisting of two type II and two type I transmembrane serine/threonine kinases. Type II receptors phosphorylate and activate type I receptors which autophosphorylate, then bind and activate SMAD transcriptional regulators. Receptor for activin A, activin B and inhibin A. Mediates induction of adipogenesis by GDF6.

AlphaFold DB (P27037), UniProt , Accession A0A096NSM4, Species PAPAN (Papio anubis, Olive baboon), Gene ACVR2A, Length 513 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50	Low	63.7	Low	174 Å²	174	92.8 Å²	92.8	86%	0.857	58%	0.576	S	S	*	*				0	122	0	-73.6	172.2	83.6	0	0	109	A5	M1-A5 HydrophobicContact CB-CB 4.3Å; M1-A5 HydrophobicContact CE-CB 4.21Å
2	G	58.6	Low	63	Low	51 Å²	51	97.1 Å²	97.1	53%	0.526	58%	0.581	S	S	.	*			trans	-69.5	164.2	-178.6	0	0	0	0	0	113.2	A4 A5 K6	G2-A4 PolarHBondContact O-N 2.84Å; G2-A5 WeakPolarHBondContact O-CB 3.23Å; G2-A5 PolarHBondContact O-N 3.11Å; G2-K6 PolarHBondContact O-N 3.23Å
3	A	65.6	Low	62	Low	88 Å²	88	97.3 Å²	97.3	73%	0.727	58%	0.576	S	S	*	*	H	α-helix	trans	-54	-37.2	-176.3	0	0	0	0	0	113.3	A5 K6 L7	A3-A5 PolarHBondContact O-N 2.96Å; A3-K6 PolarHBondContact O-N 3.03Å; A3-L7 PolarHBondContact O-N 3.34Å
4	A	63.8	Low	60.9	Low	83 Å²	83	98.3 Å²	98.3	69%	0.686	58%	0.576	S	S	*	*	H	α-helix	trans	-64.3	-36.8	175.8	0	0	0	0	0	113.2	G2 L7 A8	G2-A4 PolarHBondContact O-N 2.84Å; A4-L7 PolarHBondContact O-N 3.49Å; A4-A8 WeakPolarHBondContact O-CB 3.29Å; A4-A8 PolarHBondContact O-N 2.9Å
5	A	66.3	Low	59.6	Low	38 Å²	38	96.6 Å²	96.6	31%	0.314	57%	0.571	S	S	.	*	H	α-helix	trans	-72.2	-32.6	177.5	0	0	0	0	0	111.9	M1 G2 A3 F9	M1-A5 HydrophobicContact CB-CB 4.3Å; M1-A5 HydrophobicContact CE-CB 4.21Å; G2-A5 WeakPolarHBondContact O-CB 3.23Å; G2-A5 PolarHBondContact O-N 3.11Å; A3-A5 PolarHBondContact O-N 2.96Å; A5-F9 WeakPolarHBondContact O-CB 3.22Å; A5-F9 PolarHBondContact O-N 3.17Å
6	K	66.7	Low	58.4	Low	144 Å²	144	95.3 Å²	95.3	63%	0.626	57%	0.567	S	S	*	*	H	α-helix	trans	-68.5	-40	173.4	-69.9	-174	179	-175.8	0	111.9	G2 A3 F9 A10	G2-K6 PolarHBondContact O-N 3.23Å; A3-K6 PolarHBondContact O-N 3.03Å; K6-F9 PolarHBondContact O-N 2.78Å; K6-A10 WeakPolarHBondContact O-CB 3.2Å; K6-A10 PolarHBondContact O-N 3.22Å
7	L	71.1	Confident	57.3	Low	123 Å²	123	95 Å²	95	64%	0.644	57%	0.571	S	S	*	*	H	α-helix	trans	-67.9	-42.5	178	-153.4	85.1	0	0	0	111.5	A3 A4 A10 V11	A3-L7 PolarHBondContact O-N 3.34Å; A4-L7 PolarHBondContact O-N 3.49Å; L7-A10 PolarHBondContact O-N 3.46Å; L7-V11 WeakPolarHBondContact O-CB 3.19Å; L7-V11 VanDerWaalsContact O-CG2 3.24Å; L7-V11 WeakPolarHBondContact O-CG2 3.37Å; L7-V11 PolarHBondContact O-N 3.04Å
8	A	67	Low	56.2	Low	62 Å²	62	94.9 Å²	94.9	51%	0.512	58%	0.576	S	S	.	*	H	α-helix	trans	-63.3	-41.7	175.6	0	0	0	0	0	111.8	A4 V11 F12	A4-A8 WeakPolarHBondContact O-CB 3.29Å; A4-A8 PolarHBondContact O-N 2.9Å; A8-V11 PolarHBondContact O-N 3.18Å; A8-F12 VanDerWaalsContact O-CB 3.28Å; A8-F12 WeakPolarHBondContact O-CB 2.97Å; A8-F12 PolarHBondContact O-N 3.25Å
9	F	66.3	Low	55	Low	129 Å²	129	93.3 Å²	93.3	57%	0.566	58%	0.581	S	S	*	*	H	α-helix	trans	-69.2	-35.1	176.9	-136.2	-91.4	0	0	0	112.4	A5 K6 L13	A5-F9 WeakPolarHBondContact O-CB 3.22Å; A5-F9 PolarHBondContact O-N 3.17Å; K6-F9 PolarHBondContact O-N 2.78Å; F9-L13 HydrophobicContact CD1-CD1 3.84Å; F9-L13 HydrophobicContact CD1-CG 4.22Å; F9-L13 HydrophobicContact CE1-CD1 4.25Å; F9-L13 WeakPolarHBondContact O-CB 3.18Å; F9-L13 VanDerWaalsContact O-CG 3.29Å; F9-L13 WeakPolarHBondContact O-CG 3.28Å; F9-L13 PolarHBondContact O-N 3.49Å
10	A	63.4	Low	53.7	Low	43 Å²	43	92.4 Å²	92.4	36%	0.355	58%	0.582	S	S	.	*	H	α-helix	trans	-68.5	-42.7	174	0	0	0	0	0	111.7	K6 L7 L13 I14	K6-A10 WeakPolarHBondContact O-CB 3.2Å; K6-A10 PolarHBondContact O-N 3.22Å; L7-A10 PolarHBondContact O-N 3.46Å; A10-L13 PolarHBondContact O-N 3.31Å; A10-I14 WeakPolarHBondContact O-CB 3.07Å; A10-I14 WeakPolarHBondContact O-CD1 3.37Å; A10-I14 WeakPolarHBondContact O-CG1 3.3Å; A10-I14 PolarHBondContact O-N 2.93Å
11	V	61.6	Low	52.7	Low	86 Å²	86	95 Å²	95	52%	0.521	59%	0.591	S	S	.	*	H	α-helix	trans	-66.3	-38.7	175.5	174.4	0	0	0	0	110.7	L7 A8 I14 S15	L7-V11 WeakPolarHBondContact O-CB 3.19Å; L7-V11 VanDerWaalsContact O-CG2 3.24Å; L7-V11 WeakPolarHBondContact O-CG2 3.37Å; L7-V11 PolarHBondContact O-N 3.04Å; A8-V11 PolarHBondContact O-N 3.18Å; V11-I14 PolarHBondContact O-N 3.38Å; V11-S15 VanDerWaalsContact O-CB 3.29Å; V11-S15 WeakPolarHBondContact O-CB 3.36Å; V11-S15 PolarHBondContact O-N 3.04Å; V11-S15 PolarHBondContact O-OG 2.94Å; V11-S15 VanDerWaalsContact O-OG 3.1Å
12	F	55.7	Low	51.7	Low	144 Å²	144	94.6 Å²	94.6	63%	0.632	59%	0.591	S	S	*	*	H	α-helix	trans	-67.4	-38.5	175.9	-149	-89.2	0	0	0	111.8	A8 S15 C16	A8-F12 VanDerWaalsContact O-CB 3.28Å; A8-F12 WeakPolarHBondContact O-CB 2.97Å; A8-F12 PolarHBondContact O-N 3.25Å; F12-S15 WeakPolarHBondContact CA-OG 3.21Å; F12-S15 PolarHBondContact O-OG 3.11Å; F12-S15 VanDerWaalsContact O-OG 3.07Å; F12-C16 WeakPolarHBondContact O-CB 3.16Å; F12-C16 PolarHBondContact O-N 2.88Å; F12-C16 PolarHBondContact O-SG 3.5Å
13	L	50	Low	50.4	Low	100 Å²	100	95.9 Å²	95.9	52%	0.524	60%	0.604	S	S	.	*	H	α-helix	trans	-68.8	-40.7	173.4	-75.9	169.9	0	0	0	111.5	F9 A10 C16 S17	F9-L13 HydrophobicContact CD1-CD1 3.84Å; F9-L13 HydrophobicContact CD1-CG 4.22Å; F9-L13 HydrophobicContact CE1-CD1 4.25Å; F9-L13 WeakPolarHBondContact O-CB 3.18Å; F9-L13 VanDerWaalsContact O-CG 3.29Å; F9-L13 WeakPolarHBondContact O-CG 3.28Å; F9-L13 PolarHBondContact O-N 3.49Å; A10-L13 PolarHBondContact O-N 3.31Å; L13-C16 CarbonylContact O-C 3.55Å; L13-C16 PolarHBondContact O-N 3.01Å; L13-S17 VanDerWaalsContact O-CB 3.31Å; L13-S17 WeakPolarHBondContact O-CB 3.23Å; L13-S17 PolarHBondContact O-N 3.24Å; L13-S17 PolarHBondContact O-OG 3.36Å
14	I	46.3	Very low	49.3	Very low	111 Å²	111	98.7 Å²	98.7	57%	0.569	60%	0.596	S	S	*	*	H	α-helix	trans	-68.2	-37	177.2	-66.8	162.5	0	0	0	111	A10 V11 S18	A10-I14 WeakPolarHBondContact O-CB 3.07Å; A10-I14 WeakPolarHBondContact O-CD1 3.37Å; A10-I14 WeakPolarHBondContact O-CG1 3.3Å; A10-I14 PolarHBondContact O-N 2.93Å; V11-I14 PolarHBondContact O-N 3.38Å; I14-S18 WeakPolarHBondContact O-CB 3.2Å; I14-S18 PolarHBondContact O-N 2.9Å; I14-S18 PolarHBondContact O-OG 3.4Å
15	S	42.2	Very low	48.3	Very low	73 Å²	73	98.5 Å²	98.5	51%	0.51	59%	0.59	S	S	.	*	H	α-helix	trans	-73.3	-28.2	174.8	69.2	0	0	0	0	112.8	V11 F12	V11-S15 VanDerWaalsContact O-CB 3.29Å; V11-S15 WeakPolarHBondContact O-CB 3.36Å; V11-S15 PolarHBondContact O-N 3.04Å; V11-S15 PolarHBondContact O-OG 2.94Å; V11-S15 VanDerWaalsContact O-OG 3.1Å; F12-S15 WeakPolarHBondContact CA-OG 3.21Å; F12-S15 PolarHBondContact O-OG 3.11Å; F12-S15 VanDerWaalsContact O-OG 3.07Å
16	C	39.3	Very low	47.8	Very low	75 Å²	75	105.5 Å²	105.5	51%	0.507	62%	0.616	S	S	.	*	H	α-helix	trans	-93.7	-11.7	177.1	-68.4	0	0	0	0	114.3	F12 L13	F12-C16 WeakPolarHBondContact O-CB 3.16Å; F12-C16 PolarHBondContact O-N 2.88Å; F12-C16 PolarHBondContact O-SG 3.5Å; L13-C16 CarbonylContact O-C 3.55Å; L13-C16 PolarHBondContact O-N 3.01Å
17	S	40.5	Very low	47.7	Very low	91 Å²	91	102.6 Å²	102.6	64%	0.636	61%	0.611	S	S	*	*	H	α-helix	trans	-102.6	-0.6	173.3	51.9	0	0	0	0	114	L13	L13-S17 VanDerWaalsContact O-CB 3.31Å; L13-S17 WeakPolarHBondContact O-CB 3.23Å; L13-S17 PolarHBondContact O-N 3.24Å; L13-S17 PolarHBondContact O-OG 3.36Å
18	S	37.5	Very low	48.2	Very low	94 Å²	94	97.9 Å²	97.9	66%	0.657	59%	0.585	S	S	*	*	S	Bend	trans	-103	78.4	168.1	-50.5	0	0	0	0	109.8	I14	I14-S18 WeakPolarHBondContact O-CB 3.2Å; I14-S18 PolarHBondContact O-N 2.9Å; I14-S18 PolarHBondContact O-OG 3.4Å
19	G	33.4	Very low	49.3	Very low	64 Å²	64	99 Å²	99	66%	0.66	58%	0.58	S	S	*	*	S	Bend	trans	149.4	-15.1	166	0	0	0	0	0	116.6	I21	G19-I21 PolarHBondContact O-N 3.04Å
20	A	28.6	Very low	50.6	Low	74 Å²	74	92.9 Å²	92.9	61%	0.612	55%	0.553	S	S	*	*			trans	-77.8	54.6	167.6	0	0	0	0	0	111	L22	A20-L22 PolarHBondContact O-N 3.3Å
21	I	33.2	Very low	52	Low	149 Å²	149	92.8 Å²	92.8	76%	0.764	55%	0.546	S	S	*	.			trans	-80.3	76	159.4	-57.2	178.3	0	0	0	105.7	G19 G23	G19-I21 PolarHBondContact O-N 3.04Å; I21-G23 PolarHBondContact O-N 2.84Å
22	L	29.7	Very low	53.5	Low	165 Å²	165	90 Å²	90	86%	0.864	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	117	163.1	-86.8	132.6	0	0	0	108.4	A20	A20-L22 PolarHBondContact O-N 3.3Å
23	G	31.3	Very low	55.4	Low	78 Å²	78	85 Å²	85	80%	0.804	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	119.1	19	152.6	0	0	0	0	0	118.9	I21 S25	I21-G23 PolarHBondContact O-N 2.84Å; G23-S25 PolarHBondContact O-N 3.39Å
24	R	42.7	Very low	57.4	Low	146 Å²	146	80.6 Å²	80.6	55%	0.551	48%	0.482	S	S	*	.			trans	-84.5	114.3	168	-122.3	178.7	-173.3	153.8	4.2	109.9	E26 E106	R24-E26 PolarHBondContact O-N 3.26Å; R24-E106 IonicContact CZ-OE1 3.17Å; R24-E106 IonicContact NE-OE1 2.8Å; R24-E106 IonicContact NH1-OE1 2.73Å; R24-E106 PolarHBondContact NH1-OE1 2.93Å; R24-E106 IonicContact NH2-OE1 3.11Å; R24-E106 PolarHBondContact NH2-OE1 3.08Å; R24-E106 IonicContact NH2-OE2 3.88Å
25	S	42.1	Very low	59.4	Low	80 Å²	80	77.6 Å²	77.6	56%	0.559	47%	0.474	S	S	*	.			trans	-47.3	124.4	171.4	179.1	0	0	0	0	109.7	G23 T27	G23-S25 PolarHBondContact O-N 3.39Å; S25-T27 PolarHBondContact O-N 2.81Å; S25-T27 VanDerWaalsContact O-N 3.1Å
26	E	56.2	Low	61.6	Low	184 Å²	184	78.7 Å²	78.7	86%	0.86	47%	0.474	S	S	*	.	S	Bend	trans	-63	-17.1	-173.2	-69.6	-175.7	152.1	0	0	113.6	R24	R24-E26 PolarHBondContact O-N 3.26Å
27	T	63.4	Low	63.8	Low	84 Å²	84	79.1 Å²	79.1	52%	0.515	47%	0.465	S	S	.	.			trans	-112.9	120.1	178.6	56	0	0	0	0	110.5	S25 N108	S25-T27 PolarHBondContact O-N 2.81Å; S25-T27 VanDerWaalsContact O-N 3.1Å; T27-N108 PolarHBondContact O-ND2 2.94Å; T27-N108 PolarHBondContact O-OD1 3.43Å
28	Q	81.6	Confident	65.8	Low	23 Å²	23	81.8 Å²	81.8	11%	0.107	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	115.1	172.5	173.7	59.6	54.9	0	0	108.1	C50 R58 C60 G107 N108	Q28-C50 HydrophobicContact CB-CB 4.48Å; Q28-C50 HydrophobicContact CG-CB 4.41Å; Q28-C50 WeakPolarHBondContact O-CB 3.49Å; Q28-C50 PolarHBondContact O-N 3.45Å; Q28-R58 HydrophobicContact CB-CB 4.25Å; Q28-R58 HydrophobicContact CG-CB 4.13Å; Q28-C60 PolarHBondContact NE2-SG 3.38Å; Q28-G107 VanDerWaalsContact CD-C 3.42Å; Q28-G107 PolarHBondContact NE2-O 2.81Å; Q28-N108 WeakPolarHBondContact CA-OD1 3.38Å; Q28-N108 VanDerWaalsContact NE2-CA 3.3Å; Q28-N108 VanDerWaalsContact OE1-N 3.16Å
29	E	90.7	Very high	68.1	Low	87 Å²	87	85.7 Å²	85.7	41%	0.407	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	138.7	176.5	-66.5	-175.6	154.2	0	0	109.9	V47 E48 P49 N108 M109	E29-V47 HydrophobicContact CB-CG1 3.87Å; E29-V47 HydrophobicContact CG-CG1 4.47Å; E29-E48 WeakPolarHBondContact CA-O 3.23Å; E29-P49 HydrophobicContact CG-CB 4.48Å; E29-N108 PolarHBondContact N-OD1 3.45Å; E29-M109 PolarHBondContact O-N 2.88Å
30	C	93.4	Very high	70.4	Confident	0 Å²	0	86.4 Å²	86.4	0%	0	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	149.3	178.3	-62.8	0	0	0	0	110.5	F32 V47 E48 C50 C60	C30-F32 PolarHBondContact O-N 3.4Å; C30-V47 WeakPolarHBondContact O-CA 3.36Å; C30-E48 PolarHBondContact N-O 2.96Å; C30-E48 PolarHBondContact O-N 3.28Å; C30-C50 PolarHBondContact SG-SG 2.9Å; C30-C60 VanDerWaalsContact CA-SG 3.56Å; C30-C60 HydrophobicContact CB-CB 3.7Å; C30-C60 WeakPolarHBondContact CB-SG 3.31Å; C30-C60 WeakPolarHBondContact SG-CA 3.33Å; C30-C60 WeakPolarHBondContact SG-CB 3.24Å; C30-C60 CovalentContact SG-SG 2.01Å; C30-C60 PolarHBondContact SG-SG 2.83Å
31	L	93.6	Very high	73	Confident	41 Å²	41	94 Å²	94	22%	0.215	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	128.7	172.9	-157.4	134.8	0	0	0	108.6	Q76 G77 N111 E112	L31-Q76 VanDerWaalsContact CD2-OE1 3.29Å; L31-Q76 CarbonylContact O-C 3.59Å; L31-Q76 VanDerWaalsContact O-C 3.29Å; L31-Q76 WeakPolarHBondContact O-CB 3.5Å; L31-G77 WeakPolarHBondContact O-CA 3.04Å; L31-G77 PolarHBondContact O-N 2.99Å; L31-G77 VanDerWaalsContact O-N 3.17Å; L31-N111 PolarHBondContact N-OD1 3.17Å; L31-N111 PolarHBondContact O-ND2 3.23Å; L31-E112 HydrophobicContact CD1-CB 4.46Å; L31-E112 HydrophobicContact CD1-CG 4.36Å
32	F	93.5	Very high	75.5	Confident	28 Å²	28	89.2 Å²	89.2	12%	0.123	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.4	-179.8	177.5	-103.9	0	0	0	109.8	C30 N34 T42 N43 T45 G46 E48 Q76	C30-F32 PolarHBondContact O-N 3.4Å; F32-N34 HydrophobicContact CZ-CB 4.11Å; F32-T42 HydrophobicContact CZ-CG2 4.49Å; F32-N43 HydrophobicContact CE1-CB 4.35Å; F32-N43 WeakPolarHBondContact CE1-O 3.26Å; F32-T45 CarbonylContact O-C 3.6Å; F32-T45 VanDerWaalsContact O-CA 3.27Å; F32-T45 WeakPolarHBondContact O-CA 3.43Å; F32-G46 PolarHBondContact N-O 3.27Å; F32-G46 PolarHBondContact O-N 3.04Å; F32-E48 HydrophobicContact CB-CB 4.28Å; F32-E48 HydrophobicContact CB-CG 3.98Å; F32-E48 HydrophobicContact CD2-CG 4.44Å; F32-E48 WeakPolarHBondContact CD2-OE2 3.29Å; F32-Q76 WeakPolarHBondContact CA-O 3.09Å; F32-Q76 WeakPolarHBondContact CD2-O 3.28Å
33	F	93.6	Very high	78.1	Confident	39 Å²	39	87.3 Å²	87.3	17%	0.171	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	138	172.4	-177.5	-84.7	0	0	0	108.8	A35 Q44 T45 I73 K75 Q76	F33-A35 HydrophobicContact CE1-CB 4.09Å; F33-Q44 CarbonylContact C-O 3.55Å; F33-Q44 VanDerWaalsContact CA-O 3.3Å; F33-Q44 WeakPolarHBondContact CA-O 3.28Å; F33-Q44 HydrophobicContact CE2-CG 4.47Å; F33-T45 HydrophobicContact CD2-CG2 3.46Å; F33-T45 VanDerWaalsContact CD2-CG2 3.46Å; F33-T45 HydrophobicContact CE2-CG2 3.76Å; F33-I73 HydrophobicContact CB-CG2 4.28Å; F33-I73 HydrophobicContact CD1-CB 4.02Å; F33-I73 HydrophobicContact CD1-CG2 3.51Å; F33-I73 HydrophobicContact CE1-CB 4.03Å; F33-I73 HydrophobicContact CE1-CG2 4.03Å; F33-I73 WeakPolarHBondContact CE1-O 3.3Å; F33-I73 HydrophobicContact CG-CG2 3.94Å; F33-K75 CarbonylContact O-C 3.46Å; F33-K75 WeakPolarHBondContact O-CA 3.21Å; F33-K75 VanDerWaalsContact O-CG 3.3Å; F33-K75 WeakPolarHBondContact O-CG 3.38Å; F33-Q76 HydrophobicContact CB-CB 3.96Å; F33-Q76 HydrophobicContact CB-CG 4.21Å; F33-Q76 PolarHBondContact N-O 2.98Å; F33-Q76 PolarHBondContact O-N 2.77Å
34	N	92.1	Very high	80.9	Confident	6 Å²	6	88 Å²	88	3%	0.032	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	115.4	172.1	-172.7	4.5	0	0	0	111	F32 N36 W37 D40 T42 Q44	F32-N34 HydrophobicContact CZ-CB 4.11Å; N34-N36 VanDerWaalsContact C-N 3.26Å; N34-N36 PolarHBondContact O-N 2.89Å; N34-N36 PolarHBondContact OD1-N 3.24Å; N34-W37 HydrophobicContact CB-CB 4.26Å; N34-W37 WeakPolarHBondContact O-CB 3.4Å; N34-W37 PolarHBondContact O-N 3.44Å; N34-D40 PolarHBondContact ND2-OD2 3.28Å; N34-T42 PolarHBondContact ND2-OG1 3.47Å; N34-Q44 PolarHBondContact N-O 2.87Å
35	A	89.4	Confident	83.3	Confident	49 Å²	49	85.1 Å²	85.1	41%	0.405	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-31	176.4	0	0	0	0	0	112.8	F33 V74	F33-A35 HydrophobicContact CE1-CB 4.09Å; A35-V74 WeakPolarHBondContact CB-O 3.25Å; A35-V74 PolarHBondContact N-O 3.48Å
36	N	88.7	Confident	85.7	Confident	96 Å²	96	82.9 Å²	82.9	51%	0.513	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	24.8	-178.5	-70.5	-24.6	0	0	0	113.1	N34 E38 K39 D40	N34-N36 VanDerWaalsContact C-N 3.26Å; N34-N36 PolarHBondContact O-N 2.89Å; N34-N36 PolarHBondContact OD1-N 3.24Å; N36-E38 VanDerWaalsContact C-N 3.29Å; N36-E38 PolarHBondContact O-N 2.95Å; N36-E38 VanDerWaalsContact O-N 3.16Å; N36-K39 WeakPolarHBondContact O-CB 3.49Å; N36-K39 PolarHBondContact O-N 3.33Å; N36-D40 PolarHBondContact O-N 2.84Å
37	W	84.1	Confident	87.4	Confident	83 Å²	83	77.9 Å²	77.9	31%	0.314	40%	0.395	S	S	.	.	H	α-helix	trans	-55.8	-35.3	-171.1	68.7	-84.5	0	0	0	114.7	N34 D40 R41 T42 N43 Q44	N34-W37 HydrophobicContact CB-CB 4.26Å; N34-W37 WeakPolarHBondContact O-CB 3.4Å; N34-W37 PolarHBondContact O-N 3.44Å; W37-D40 PolarHBondContact O-N 3.09Å; W37-R41 CarbonylContact O-C 3.57Å; W37-R41 VanDerWaalsContact O-CA 3.25Å; W37-R41 WeakPolarHBondContact O-CA 3.38Å; W37-R41 PolarHBondContact O-N 2.83Å; W37-T42 WeakPolarHBondContact CA-OG1 3.36Å; W37-T42 PolarHBondContact O-N 3.48Å; W37-N43 WeakPolarHBondContact CB-O 3.46Å; W37-Q44 HydrophobicContact CB-CB 4.29Å; W37-Q44 VanDerWaalsContact CD1-CG 3.42Å; W37-Q44 HydrophobicContact CD2-CB 3.85Å; W37-Q44 HydrophobicContact CD2-CG 4.44Å; W37-Q44 HydrophobicContact CG-CB 3.65Å; W37-Q44 HydrophobicContact CG-CG 3.97Å
38	E	83.6	Confident	88.7	Confident	147 Å²	147	76.6 Å²	76.6	69%	0.687	38%	0.383	S	S	*	.	H	α-helix	trans	-64	-42.7	176.5	-68.4	-174.8	172.3	0	0	111.8	N36	N36-E38 VanDerWaalsContact C-N 3.29Å; N36-E38 PolarHBondContact O-N 2.95Å; N36-E38 VanDerWaalsContact O-N 3.16Å
39	K	85.3	Confident	89.1	Confident	176 Å²	176	77.9 Å²	77.9	77%	0.765	39%	0.394	S	S	*	.	H	α-helix	trans	-70.3	-42.7	179.2	-174.9	-178	177.3	-176.2	0	110.9	N36 R41	N36-K39 WeakPolarHBondContact O-CB 3.49Å; N36-K39 PolarHBondContact O-N 3.33Å; K39-R41 VanDerWaalsContact C-N 3.26Å; K39-R41 PolarHBondContact O-N 3.06Å
40	D	81.4	Confident	88.8	Confident	79 Å²	79	74 Å²	74	42%	0.422	38%	0.376	S	S	.	.	H	α-helix	trans	-82.9	-6.2	-177.4	-62.1	-15.8	0	0	0	112.5	N34 N36 W37 T42	N34-D40 PolarHBondContact ND2-OD2 3.28Å; N36-D40 PolarHBondContact O-N 2.84Å; W37-D40 PolarHBondContact O-N 3.09Å; D40-T42 HydrophobicContact CB-CG2 3.98Å; D40-T42 PolarHBondContact O-N 2.9Å
41	R	84.1	Confident	88.3	Confident	234 Å²	234	83.5 Å²	83.5	88%	0.883	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	38.7	-174.3	-57.6	-179.5	177.7	-179.4	-1	112.9	W37 K39	W37-R41 CarbonylContact O-C 3.57Å; W37-R41 VanDerWaalsContact O-CA 3.25Å; W37-R41 WeakPolarHBondContact O-CA 3.38Å; W37-R41 PolarHBondContact O-N 2.83Å; K39-R41 VanDerWaalsContact C-N 3.26Å; K39-R41 PolarHBondContact O-N 3.06Å
42	T	84.4	Confident	87.2	Confident	48 Å²	48	83.4 Å²	83.4	29%	0.294	42%	0.423	S	S	.	.			trans	-100.7	170.1	174.7	66.1	0	0	0	0	110.5	F32 N34 W37 D40	F32-T42 HydrophobicContact CZ-CG2 4.49Å; N34-T42 PolarHBondContact ND2-OG1 3.47Å; W37-T42 WeakPolarHBondContact CA-OG1 3.36Å; W37-T42 PolarHBondContact O-N 3.48Å; D40-T42 HydrophobicContact CB-CG2 3.98Å; D40-T42 PolarHBondContact O-N 2.9Å
43	N	85.9	Confident	86.4	Confident	125 Å²	125	86.6 Å²	86.6	67%	0.668	44%	0.441	S	S	*	.			trans	-62.8	153.3	161.9	-68.3	-31.2	0	0	0	109.5	F32 W37	F32-N43 HydrophobicContact CE1-CB 4.35Å; F32-N43 WeakPolarHBondContact CE1-O 3.26Å; W37-N43 WeakPolarHBondContact CB-O 3.46Å
44	Q	89.3	Confident	85.2	Confident	92 Å²	92	94.6 Å²	94.6	43%	0.43	48%	0.476	S	S	.	.	S	Bend	trans	-74.9	-46.9	175.9	-175.1	173.1	21.8	0	0	111.3	F33 N34 W37	F33-Q44 CarbonylContact C-O 3.55Å; F33-Q44 VanDerWaalsContact CA-O 3.3Å; F33-Q44 WeakPolarHBondContact CA-O 3.28Å; F33-Q44 HydrophobicContact CE2-CG 4.47Å; N34-Q44 PolarHBondContact N-O 2.87Å; W37-Q44 HydrophobicContact CB-CB 4.29Å; W37-Q44 VanDerWaalsContact CD1-CG 3.42Å; W37-Q44 HydrophobicContact CD2-CB 3.85Å; W37-Q44 HydrophobicContact CD2-CG 4.44Å; W37-Q44 HydrophobicContact CG-CB 3.65Å; W37-Q44 HydrophobicContact CG-CG 3.97Å
45	T	92.6	Very high	84.3	Confident	87 Å²	87	101.8 Å²	101.8	53%	0.534	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	150.3	-176.6	64	0	0	0	0	109.9	F32 F33	F32-T45 CarbonylContact O-C 3.6Å; F32-T45 VanDerWaalsContact O-CA 3.27Å; F32-T45 WeakPolarHBondContact O-CA 3.43Å; F33-T45 HydrophobicContact CD2-CG2 3.46Å; F33-T45 VanDerWaalsContact CD2-CG2 3.46Å; F33-T45 HydrophobicContact CE2-CG2 3.76Å
46	G	92.5	Very high	83.8	Confident	32 Å²	32	104.8 Å²	104.8	33%	0.33	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	179	-167.3	173.3	0	0	0	0	0	112.4	F32	F32-G46 PolarHBondContact N-O 3.27Å; F32-G46 PolarHBondContact O-N 3.04Å
47	V	92.5	Very high	83.5	Confident	79 Å²	79	103 Å²	103	48%	0.479	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.5	166.2	179.3	0	0	0	0	106.1	E29 C30 M109	E29-V47 HydrophobicContact CB-CG1 3.87Å; E29-V47 HydrophobicContact CG-CG1 4.47Å; C30-V47 WeakPolarHBondContact O-CA 3.36Å; V47-M109 HydrophobicContact CG1-SD 4.07Å; V47-M109 HydrophobicContact CG2-SD 3.84Å
48	E	90	Very high	83.6	Confident	57 Å²	57	102 Å²	102	27%	0.266	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134.4	177.5	68	178.6	178.3	0	0	111.1	E29 C30 F32 G77 C78	E29-E48 WeakPolarHBondContact CA-O 3.23Å; C30-E48 PolarHBondContact N-O 2.96Å; C30-E48 PolarHBondContact O-N 3.28Å; F32-E48 HydrophobicContact CB-CB 4.28Å; F32-E48 HydrophobicContact CB-CG 3.98Å; F32-E48 HydrophobicContact CD2-CG 4.44Å; F32-E48 WeakPolarHBondContact CD2-OE2 3.29Å; E48-G77 WeakPolarHBondContact OE1-CA 3.36Å; E48-C78 PolarHBondContact OE1-N 2.89Å
49	P	89.8	Confident	84	Confident	50 Å²	50	95 Å²	95	33%	0.325	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	129.5	170.3	28.8	-31.9	0	0	0	110.3	E29 Y51	E29-P49 HydrophobicContact CG-CB 4.48Å; P49-Y51 HydrophobicContact CB-CE2 4.24Å; P49-Y51 HydrophobicContact CG-CE2 3.68Å; P49-Y51 VanDerWaalsContact CG-OH 3.23Å; P49-Y51 WeakPolarHBondContact CG-OH 3.29Å; P49-Y51 VanDerWaalsContact O-CD2 3.31Å; P49-Y51 WeakPolarHBondContact O-CD2 3.22Å; P49-Y51 WeakPolarHBondContact O-CE2 3.21Å; P49-Y51 PolarHBondContact O-N 2.95Å
50	C	85.5	Confident	84.4	Confident	7 Å²	7	86.6 Å²	86.6	5%	0.047	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	117	177.7	-55.1	0	0	0	0	110.8	Q28 C30 R58 C78	Q28-C50 HydrophobicContact CB-CB 4.48Å; Q28-C50 HydrophobicContact CG-CB 4.41Å; Q28-C50 WeakPolarHBondContact O-CB 3.49Å; Q28-C50 PolarHBondContact O-N 3.45Å; C30-C50 PolarHBondContact SG-SG 2.9Å; C50-R58 HydrophobicContact CB-CB 4.37Å; C50-R58 WeakPolarHBondContact O-CD 3.42Å; C50-R58 PolarHBondContact O-NH1 2.87Å; C50-C78 WeakPolarHBondContact CA-SG 3.46Å; C50-C78 HydrophobicContact CB-CB 3.81Å; C50-C78 WeakPolarHBondContact CB-SG 3.36Å; C50-C78 PolarHBondContact N-SG 2.78Å; C50-C78 VanDerWaalsContact SG-CA 3.58Å; C50-C78 WeakPolarHBondContact SG-CB 3.15Å; C50-C78 CovalentContact SG-SG 2.03Å; C50-C78 PolarHBondContact SG-SG 3.07Å
51	Y	81.5	Confident	85	Confident	198 Å²	198	83.7 Å²	83.7	78%	0.776	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-96.1	143.6	174.4	-57.3	-74.9	0	0	0	111.1	P49 R58	P49-Y51 HydrophobicContact CB-CE2 4.24Å; P49-Y51 HydrophobicContact CG-CE2 3.68Å; P49-Y51 VanDerWaalsContact CG-OH 3.23Å; P49-Y51 WeakPolarHBondContact CG-OH 3.29Å; P49-Y51 VanDerWaalsContact O-CD2 3.31Å; P49-Y51 WeakPolarHBondContact O-CD2 3.22Å; P49-Y51 WeakPolarHBondContact O-CE2 3.21Å; P49-Y51 PolarHBondContact O-N 2.95Å; Y51-R58 VanDerWaalsContact CA-NH1 3.31Å
52	G	71.9	Confident	85.5	Confident	40 Å²	40	72.5 Å²	72.5	41%	0.412	37%	0.373	S	S	.	.			trans	-172.1	171.1	-178.2	0	0	0	0	0	111.9	R58	G52-R58 VanDerWaalsContact C-NH2 3.32Å; G52-R58 VanDerWaalsContact N-CZ 3.28Å; G52-R58 PolarHBondContact O-NH2 2.83Å
53	D	75.4	Confident	86	Confident	95 Å²	95	71.2 Å²	71.2	51%	0.508	37%	0.365	S	S	.	.			trans	-67.8	158.5	176.2	-58.9	-42.4	0	0	0	111.1	D55 K56	D53-D55 PolarHBondContact O-N 3.18Å; D53-K56 HydrophobicContact CB-CD 4.18Å; D53-K56 HydrophobicContact CB-CG 4.27Å; D53-K56 PolarHBondContact O-N 2.75Å; D53-K56 WeakPolarHBondContact OD2-CE 3.23Å; D53-K56 IonicContact OD2-NZ 2.68Å; D53-K56 PolarHBondContact OD2-NZ 3.37Å
54	K	68.8	Low	86.3	Confident	206 Å²	206	65.7 Å²	65.7	90%	0.896	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-27.3	-180	-72.6	-172.9	177	-176.9	0	113.6
55	D	74.6	Confident	86.4	Confident	158 Å²	158	65.6 Å²	65.6	85%	0.845	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-1.9	-175.3	-56.4	-30.5	0	0	0	113.3	D53	D53-D55 PolarHBondContact O-N 3.18Å
56	K	78.2	Confident	86.1	Confident	112 Å²	112	65.4 Å²	65.4	49%	0.487	33%	0.328	S	S	.	.	S	Bend	trans	-105.4	134.5	-176.8	-71.6	-179.5	-177.6	154.9	0	111.9	D53 D81	D53-K56 HydrophobicContact CB-CD 4.18Å; D53-K56 HydrophobicContact CB-CG 4.27Å; D53-K56 PolarHBondContact O-N 2.75Å; D53-K56 WeakPolarHBondContact OD2-CE 3.23Å; D53-K56 IonicContact OD2-NZ 2.68Å; D53-K56 PolarHBondContact OD2-NZ 3.37Å; K56-D81 WeakPolarHBondContact CA-OD2 3.33Å; K56-D81 HydrophobicContact CB-CB 4.09Å; K56-D81 WeakPolarHBondContact CB-OD2 3.48Å; K56-D81 HydrophobicContact CG-CB 4.39Å
57	R	82.6	Confident	85.7	Confident	59 Å²	59	67.5 Å²	67.5	22%	0.223	33%	0.331	C	S	.	.			trans	-75.2	148.7	173.9	-64.2	-178.4	75.8	165.9	10.9	110.1	D81 Y86 D87 E106	R57-D81 VanDerWaalsContact N-CG 3.32Å; R57-D81 PolarHBondContact N-OD2 2.9Å; R57-D81 VanDerWaalsContact N-OD2 3.08Å; R57-D81 WeakPolarHBondContact O-CA 3.28Å; R57-D81 WeakPolarHBondContact O-CB 3.38Å; R57-Y86 HydrophobicContact CB-CD1 4.45Å; R57-Y86 HydrophobicContact CB-CE1 3.85Å; R57-Y86 HydrophobicContact CG-CE1 4.15Å; R57-Y86 VanDerWaalsContact NH1-CD2 3.28Å; R57-Y86 VanDerWaalsContact NH1-CG 3.28Å; R57-D87 IonicContact CZ-OD1 2.87Å; R57-D87 IonicContact CZ-OD2 2.69Å; R57-D87 IonicContact NH1-OD1 3.47Å; R57-D87 IonicContact NH1-OD2 2.62Å; R57-D87 PolarHBondContact NH1-OD2 2.97Å; R57-D87 IonicContact NH2-OD1 3.83Å; R57-D87 PolarHBondContact NH2-OD1 3.21Å; R57-D87 IonicContact NH2-OD2 3.87Å; R57-E106 IonicContact CZ-OE1 3.57Å; R57-E106 VanDerWaalsContact CZ-OE1 3.27Å; R57-E106 IonicContact CZ-OE2 3.8Å; R57-E106 IonicContact NE-OE1 3.47Å; R57-E106 PolarHBondContact NE-OE1 2.83Å; R57-E106 IonicContact NE-OE2 2.77Å; R57-E106 PolarHBondContact NE-OE2 2.02Å; R57-E106 IonicContact NH2-OE1 3.26Å; R57-E106 PolarHBondContact NH2-OE1 3.37Å; R57-E106 IonicContact NH2-OE2 2.85Å; R57-E106 PolarHBondContact NH2-OE2 3.31Å
58	R	85.7	Confident	85.2	Confident	61 Å²	61	69.9 Å²	69.9	23%	0.23	35%	0.351	C	S	.	.			trans	-118.3	135.8	-175.2	-58.4	180	-157.5	-152.8	-0.9	109.4	Q28 C50 Y51 G52	Q28-R58 HydrophobicContact CB-CB 4.25Å; Q28-R58 HydrophobicContact CG-CB 4.13Å; C50-R58 HydrophobicContact CB-CB 4.37Å; C50-R58 WeakPolarHBondContact O-CD 3.42Å; C50-R58 PolarHBondContact O-NH1 2.87Å; Y51-R58 VanDerWaalsContact CA-NH1 3.31Å; G52-R58 VanDerWaalsContact C-NH2 3.32Å; G52-R58 VanDerWaalsContact N-CZ 3.28Å; G52-R58 PolarHBondContact O-NH2 2.83Å
59	H	91.3	Very high	84.7	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156	-173.7	-59.2	-65.7	0	0	0	110.5	W79 C85 Y86 C105 E106	H59-W79 HydrophobicContact CB-CB 4.03Å; H59-W79 PolarHBondContact O-N 3.01Å; H59-C85 HydrophobicContact CB-CB 4.14Å; H59-Y86 AromaticContact CE1-CD1 3.61Å; H59-Y86 AromaticContact NE2-CD1 3.45Å; H59-Y86 WeakPolarHBondContact NE2-CD1 3.25Å; H59-Y86 AromaticContact NE2-CE1 3.45Å; H59-Y86 WeakPolarHBondContact NE2-CE1 3.44Å; H59-C105 CarbonylContact C-O 3.6Å; H59-C105 VanDerWaalsContact CA-O 3.25Å; H59-C105 WeakPolarHBondContact CA-O 3.37Å; H59-C105 WeakPolarHBondContact CB-O 3.47Å; H59-E106 IonicContact CE1-OE2 2.78Å
60	C	93.5	Very high	84.4	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	154.4	163	-51.3	0	0	0	0	109.4	Q28 C30 G77 C104 C105 C110 N111	Q28-C60 PolarHBondContact NE2-SG 3.38Å; C30-C60 VanDerWaalsContact CA-SG 3.56Å; C30-C60 HydrophobicContact CB-CB 3.7Å; C30-C60 WeakPolarHBondContact CB-SG 3.31Å; C30-C60 WeakPolarHBondContact SG-CA 3.33Å; C30-C60 WeakPolarHBondContact SG-CB 3.24Å; C30-C60 CovalentContact SG-SG 2.01Å; C30-C60 PolarHBondContact SG-SG 2.83Å; C60-G77 CarbonylContact C-O 3.59Å; C60-G77 WeakPolarHBondContact CA-O 3.22Å; C60-C104 VanDerWaalsContact O-CA 3.26Å; C60-C104 WeakPolarHBondContact O-CA 3.33Å; C60-C105 PolarHBondContact N-O 3.43Å; C60-C105 PolarHBondContact O-N 2.85Å; C60-C110 VanDerWaalsContact CB-SG 3.59Å; C60-N111 HydrophobicContact CB-CB 3.59Å; C60-N111 VanDerWaalsContact CB-CG 3.44Å
61	F	95.7	Very high	84.6	Confident	17 Å²	17	76.3 Å²	76.3	8%	0.075	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	159.5	170.5	79.9	-78.6	0	0	0	112.3	T63 K75 Q76 G77 C78 W79 F102 C103 C104 N111	F61-T63 HydrophobicContact CD2-CG2 4.14Å; F61-T63 HydrophobicContact CE2-CG2 4.24Å; F61-K75 HydrophobicContact CE2-CB 4.19Å; F61-K75 HydrophobicContact CE2-CG 4.3Å; F61-K75 HydrophobicContact CZ-CB 4.41Å; F61-K75 HydrophobicContact CZ-CD 4.14Å; F61-K75 HydrophobicContact CZ-CG 4.01Å; F61-Q76 WeakPolarHBondContact O-CA 3.48Å; F61-G77 WeakPolarHBondContact CD1-O 3.41Å; F61-G77 PolarHBondContact N-O 3.42Å; F61-G77 PolarHBondContact O-N 2.9Å; F61-C78 WeakPolarHBondContact CE1-O 3.34Å; F61-W79 HydrophobicContact CB-CB 4.08Å; F61-W79 HydrophobicContact CB-CD2 4.45Å; F61-W79 HydrophobicContact CB-CE3 4.38Å; F61-W79 HydrophobicContact CB-CG 4.35Å; F61-W79 HydrophobicContact CD1-CB 3.91Å; F61-W79 HydrophobicContact CD1-CD2 4.35Å; F61-W79 AromaticContact CD1-CE3 3.69Å; F61-W79 HydrophobicContact CD1-CE3 3.69Å; F61-W79 HydrophobicContact CD1-CG 4.49Å; F61-W79 HydrophobicContact CD2-CE3 4.39Å; F61-W79 HydrophobicContact CE1-CE3 4.03Å; F61-W79 HydrophobicContact CG-CB 4.37Å; F61-W79 HydrophobicContact CG-CD2 4.43Å; F61-W79 AromaticContact CG-CE3 3.89Å; F61-W79 HydrophobicContact CG-CE3 3.89Å; F61-F102 HydrophobicContact CB-CE2 3.95Å; F61-F102 HydrophobicContact CB-CZ 4.22Å; F61-F102 HydrophobicContact CD2-CD2 4.42Å; F61-F102 AromaticContact CD2-CE2 3.94Å; F61-F102 HydrophobicContact CD2-CE2 3.94Å; F61-F102 HydrophobicContact CG-CE2 4.24Å; F61-C103 CarbonylContact C-O 3.5Å; F61-C103 WeakPolarHBondContact CA-O 3.25Å; F61-C103 WeakPolarHBondContact CB-O 3.04Å; F61-C104 HydrophobicContact CB-CB 4.43Å; F61-N111 PolarHBondContact O-ND2 2.85Å
62	A	94.3	Very high	85	Confident	0 Å²	0	72 Å²	72	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	140.9	167.9	0	0	0	0	0	110	W64 K75 Q76 C103 N111 F114	A62-W64 HydrophobicContact CB-CE3 4.33Å; A62-W64 HydrophobicContact CB-CZ3 4.28Å; A62-K75 CarbonylContact C-O 3.44Å; A62-Q76 HydrophobicContact CB-CG 3.85Å; A62-C103 PolarHBondContact N-O 3.2Å; A62-C103 PolarHBondContact O-N 2.77Å; A62-N111 HydrophobicContact CB-CB 4.4Å; A62-F114 HydrophobicContact CB-CB 4.2Å; A62-F114 HydrophobicContact CB-CD1 4.19Å; A62-F114 HydrophobicContact CB-CG 4.36Å
63	T	94.1	Very high	85.9	Confident	21 Å²	21	72.5 Å²	72.5	13%	0.129	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132.5	172.6	49.7	0	0	0	0	110.2	F61 V74 K75 Y101 F102	F61-T63 HydrophobicContact CD2-CG2 4.14Å; F61-T63 HydrophobicContact CE2-CG2 4.24Å; T63-V74 PolarHBondContact O-N 3.31Å; T63-K75 PolarHBondContact N-O 3.47Å; T63-K75 PolarHBondContact O-N 2.91Å; T63-K75 WeakPolarHBondContact OG1-CA 3.35Å; T63-K75 WeakPolarHBondContact OG1-CB 3.27Å; T63-K75 PolarHBondContact OG1-N 3.19Å; T63-K75 VanDerWaalsContact OG1-N 3.07Å; T63-K75 PolarHBondContact OG1-O 3.46Å; T63-Y101 VanDerWaalsContact CA-O 3.25Å; T63-Y101 WeakPolarHBondContact CA-O 3.49Å; T63-F102 HydrophobicContact CG2-CB 4.25Å; T63-F102 HydrophobicContact CG2-CD2 3.53Å; T63-F102 HydrophobicContact CG2-CE2 4.41Å; T63-F102 HydrophobicContact CG2-CG 4.36Å
64	W	93.3	Very high	86.6	Confident	8 Å²	8	70.1 Å²	70.1	3%	0.03	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	159	179.6	67	97.9	0	0	0	111.4	A62 I71 E72 E93 Y101 C103 F114	A62-W64 HydrophobicContact CB-CE3 4.33Å; A62-W64 HydrophobicContact CB-CZ3 4.28Å; W64-I71 HydrophobicContact CB-CG2 4.07Å; W64-I71 HydrophobicContact CG-CG2 4.13Å; W64-E72 CarbonylContact C-O 3.29Å; W64-E72 VanDerWaalsContact CA-O 3.23Å; W64-E72 WeakPolarHBondContact CA-O 3.4Å; W64-E72 WeakPolarHBondContact CB-O 3.48Å; W64-E93 HydrophobicContact CH2-CB 3.89Å; W64-E93 HydrophobicContact CZ2-CB 4.1Å; W64-Y101 HydrophobicContact CD2-CG 4.44Å; W64-Y101 AromaticContact CE2-CG 3.76Å; W64-Y101 VanDerWaalsContact CZ2-CB 3.48Å; W64-Y101 HydrophobicContact CZ2-CD1 4.12Å; W64-Y101 HydrophobicContact CZ2-CG 4.08Å; W64-Y101 PolarHBondContact N-O 2.9Å; W64-Y101 VanDerWaalsContact N-O 3.09Å; W64-Y101 AromaticContact NE1-CD1 3.96Å; W64-Y101 AromaticContact NE1-CD2 3.9Å; W64-Y101 AromaticContact NE1-CG 3.49Å; W64-Y101 WeakPolarHBondContact O-CB 3.4Å; W64-Y101 PolarHBondContact O-N 3.2Å; W64-C103 HydrophobicContact CH2-CB 4.25Å; W64-C103 HydrophobicContact CZ3-CB 4.24Å; W64-C103 WeakPolarHBondContact CZ3-SG 3.48Å; W64-F114 HydrophobicContact CB-CE2 4.08Å; W64-F114 HydrophobicContact CB-CZ 4.39Å; W64-F114 AromaticContact CD1-CE2 3.92Å; W64-F114 AromaticContact CD2-CD2 3.33Å; W64-F114 HydrophobicContact CD2-CD2 3.33Å; W64-F114 AromaticContact CD2-CE2 3.49Å; W64-F114 HydrophobicContact CD2-CE2 3.49Å; W64-F114 VanDerWaalsContact CD2-CE2 3.49Å; W64-F114 HydrophobicContact CD2-CG 4.19Å; W64-F114 HydrophobicContact CD2-CZ 4.46Å; W64-F114 AromaticContact CE2-CD2 3.48Å; W64-F114 VanDerWaalsContact CE2-CD2 3.48Å; W64-F114 AromaticContact CE2-CE2 3.83Å; W64-F114 HydrophobicContact CE3-CB 4.17Å; W64-F114 AromaticContact CE3-CD2 3.44Å; W64-F114 HydrophobicContact CE3-CD2 3.44Å; W64-F114 VanDerWaalsContact CE3-CD2 3.44Å; W64-F114 AromaticContact CE3-CE2 3.94Å; W64-F114 HydrophobicContact CE3-CE2 3.94Å; W64-F114 AromaticContact CE3-CG 3.84Å; W64-F114 HydrophobicContact CE3-CG 3.84Å; W64-F114 AromaticContact CG-CD2 3.95Å; W64-F114 HydrophobicContact CG-CD2 3.95Å; W64-F114 AromaticContact CG-CE2 3.56Å; W64-F114 HydrophobicContact CG-CE2 3.56Å; W64-F114 HydrophobicContact CG-CZ 4.34Å; W64-F114 HydrophobicContact CH2-CB 3.91Å; W64-F114 AromaticContact CH2-CD2 3.89Å; W64-F114 HydrophobicContact CH2-CD2 3.89Å; W64-F114 HydrophobicContact CH2-CG 4.28Å; W64-F114 AromaticContact CZ2-CD2 3.75Å; W64-F114 HydrophobicContact CZ2-CD2 3.75Å; W64-F114 HydrophobicContact CZ3-CB 3.72Å; W64-F114 AromaticContact CZ3-CD2 3.75Å; W64-F114 HydrophobicContact CZ3-CD2 3.75Å; W64-F114 AromaticContact CZ3-CG 3.92Å; W64-F114 HydrophobicContact CZ3-CG 3.92Å
65	K	91.3	Very high	87.8	Confident	90 Å²	90	64.3 Å²	64.3	39%	0.391	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	145.3	171.5	-71.2	178.4	178	-179.2	0	109	I67 E72 V74 V100	K65-I67 HydrophobicContact CB-CG1 4.14Å; K65-E72 PolarHBondContact N-O 2.89Å; K65-E72 PolarHBondContact O-N 2.85Å; K65-V74 HydrophobicContact CD-CG2 4.11Å; K65-V74 HydrophobicContact CG-CG2 3.87Å; K65-V100 HydrophobicContact CG-CG1 4.46Å; K65-V100 HydrophobicContact CG-CG2 4.18Å
66	N	85.5	Confident	88.8	Confident	84 Å²	84	57.1 Å²	57.1	45%	0.449	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	100	168.7	-174.8	-8.3	0	0	0	108.2	G69 Y101	N66-G69 WeakPolarHBondContact OD1-CA 3.36Å; N66-G69 PolarHBondContact OD1-N 2.88Å; N66-Y101 HydrophobicContact CB-CE2 3.84Å
67	I	84.9	Confident	89.5	Confident	76 Å²	76	51.8 Å²	51.8	39%	0.39	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	107.1	178.6	-52.8	-172.6	0	0	0	107.5	K65 G69 S70 E72	K65-I67 HydrophobicContact CB-CG1 4.14Å; I67-G69 PolarHBondContact O-N 2.93Å; I67-G69 VanDerWaalsContact O-N 3.11Å; I67-S70 PolarHBondContact N-O 3.16Å; I67-S70 PolarHBondContact O-N 3.01Å; I67-E72 HydrophobicContact CD1-CG 4.38Å; I67-E72 WeakPolarHBondContact CD1-OE2 3.21Å
68	S	82.4	Confident	90	Very high	128 Å²	128	50.8 Å²	50.8	90%	0.895	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	35.3	175.6	-56	0	0	0	0	114.3
69	G	78.6	Confident	90.2	Very high	63 Å²	63	52.3 Å²	52.3	65%	0.649	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.5	-4.9	-179.9	0	0	0	0	0	114.8	N66 I67	N66-G69 WeakPolarHBondContact OD1-CA 3.36Å; N66-G69 PolarHBondContact OD1-N 2.88Å; I67-G69 PolarHBondContact O-N 2.93Å; I67-G69 VanDerWaalsContact O-N 3.11Å
70	S	83.7	Confident	89.8	Confident	80 Å²	80	58.9 Å²	58.9	56%	0.559	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.1	172.9	-64.5	0	0	0	0	110.1	I67	I67-S70 PolarHBondContact N-O 3.16Å; I67-S70 PolarHBondContact O-N 3.01Å
71	I	88.7	Confident	89.3	Confident	106 Å²	106	61.8 Å²	61.8	54%	0.544	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	118.7	179.2	-63.4	174.7	0	0	0	108.3	W64 F114	W64-I71 HydrophobicContact CB-CG2 4.07Å; W64-I71 HydrophobicContact CG-CG2 4.13Å; I71-F114 HydrophobicContact CG2-CE2 3.7Å; I71-F114 HydrophobicContact CG2-CZ 3.8Å
72	E	89.9	Confident	88.6	Confident	108 Å²	108	63.5 Å²	63.5	51%	0.505	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	116.6	170.2	-70.2	-172.5	-177.2	0	0	109.6	W64 K65 I67 V74	W64-E72 CarbonylContact C-O 3.29Å; W64-E72 VanDerWaalsContact CA-O 3.23Å; W64-E72 WeakPolarHBondContact CA-O 3.4Å; W64-E72 WeakPolarHBondContact CB-O 3.48Å; K65-E72 PolarHBondContact N-O 2.89Å; K65-E72 PolarHBondContact O-N 2.85Å; I67-E72 HydrophobicContact CD1-CG 4.38Å; I67-E72 WeakPolarHBondContact CD1-OE2 3.21Å; E72-V74 PolarHBondContact O-N 3.05Å
73	I	91.1	Very high	88	Confident	50 Å²	50	69.5 Å²	69.5	26%	0.256	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	129.6	173.8	-57	176.3	0	0	0	108.1	F33 Q76 F114	F33-I73 HydrophobicContact CB-CG2 4.28Å; F33-I73 HydrophobicContact CD1-CB 4.02Å; F33-I73 HydrophobicContact CD1-CG2 3.51Å; F33-I73 HydrophobicContact CE1-CB 4.03Å; F33-I73 HydrophobicContact CE1-CG2 4.03Å; F33-I73 WeakPolarHBondContact CE1-O 3.3Å; F33-I73 HydrophobicContact CG-CG2 3.94Å; I73-Q76 HydrophobicContact CG2-CG 3.86Å; I73-F114 HydrophobicContact CD1-CE1 3.76Å; I73-F114 HydrophobicContact CD1-CZ 4Å; I73-F114 HydrophobicContact CG1-CE1 3.98Å; I73-F114 HydrophobicContact CG1-CZ 3.79Å
74	V	91.4	Very high	87.4	Confident	46 Å²	46	73.3 Å²	73.3	28%	0.279	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-50.9	176.9	-180	0	0	0	0	109.6	A35 T63 K65 E72	A35-V74 WeakPolarHBondContact CB-O 3.25Å; A35-V74 PolarHBondContact N-O 3.48Å; T63-V74 PolarHBondContact O-N 3.31Å; K65-V74 HydrophobicContact CD-CG2 4.11Å; K65-V74 HydrophobicContact CG-CG2 3.87Å; E72-V74 PolarHBondContact O-N 3.05Å
75	K	93.9	Very high	87	Confident	84 Å²	84	73 Å²	73	37%	0.365	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	143.2	-178.7	-157.1	170.3	-177.3	170.1	0	112.6	F33 F61 A62 T63	F33-K75 CarbonylContact O-C 3.46Å; F33-K75 WeakPolarHBondContact O-CA 3.21Å; F33-K75 VanDerWaalsContact O-CG 3.3Å; F33-K75 WeakPolarHBondContact O-CG 3.38Å; F61-K75 HydrophobicContact CE2-CB 4.19Å; F61-K75 HydrophobicContact CE2-CG 4.3Å; F61-K75 HydrophobicContact CZ-CB 4.41Å; F61-K75 HydrophobicContact CZ-CD 4.14Å; F61-K75 HydrophobicContact CZ-CG 4.01Å; A62-K75 CarbonylContact C-O 3.44Å; T63-K75 PolarHBondContact N-O 3.47Å; T63-K75 PolarHBondContact O-N 2.91Å; T63-K75 WeakPolarHBondContact OG1-CA 3.35Å; T63-K75 WeakPolarHBondContact OG1-CB 3.27Å; T63-K75 PolarHBondContact OG1-N 3.19Å; T63-K75 VanDerWaalsContact OG1-N 3.07Å; T63-K75 PolarHBondContact OG1-O 3.46Å
76	Q	94.8	Very high	86.7	Confident	6 Å²	6	72.1 Å²	72.1	3%	0.028	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149.3	168.8	-65.5	171.2	-74.7	0	0	109	L31 F32 F33 F61 A62 I73 N111	L31-Q76 VanDerWaalsContact CD2-OE1 3.29Å; L31-Q76 CarbonylContact O-C 3.59Å; L31-Q76 VanDerWaalsContact O-C 3.29Å; L31-Q76 WeakPolarHBondContact O-CB 3.5Å; F32-Q76 WeakPolarHBondContact CA-O 3.09Å; F32-Q76 WeakPolarHBondContact CD2-O 3.28Å; F33-Q76 HydrophobicContact CB-CB 3.96Å; F33-Q76 HydrophobicContact CB-CG 4.21Å; F33-Q76 PolarHBondContact N-O 2.98Å; F33-Q76 PolarHBondContact O-N 2.77Å; F61-Q76 WeakPolarHBondContact O-CA 3.48Å; A62-Q76 HydrophobicContact CB-CG 3.85Å; I73-Q76 HydrophobicContact CG2-CG 3.86Å; Q76-N111 PolarHBondContact NE2-O 3.41Å
77	G	93.9	Very high	86.7	Confident	1 Å²	1	73.7 Å²	73.7	1%	0.01	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.8	-161.1	174.7	0	0	0	0	0	113.9	L31 E48 C60 F61	L31-G77 WeakPolarHBondContact O-CA 3.04Å; L31-G77 PolarHBondContact O-N 2.99Å; L31-G77 VanDerWaalsContact O-N 3.17Å; E48-G77 WeakPolarHBondContact OE1-CA 3.36Å; C60-G77 CarbonylContact C-O 3.59Å; C60-G77 WeakPolarHBondContact CA-O 3.22Å; F61-G77 WeakPolarHBondContact CD1-O 3.41Å; F61-G77 PolarHBondContact N-O 3.42Å; F61-G77 PolarHBondContact O-N 2.9Å
78	C	92.7	Very high	86.7	Confident	38 Å²	38	74.9 Å²	74.9	26%	0.257	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	136.4	174.5	-65.9	0	0	0	0	111.6	E48 C50 F61	E48-C78 PolarHBondContact OE1-N 2.89Å; C50-C78 WeakPolarHBondContact CA-SG 3.46Å; C50-C78 HydrophobicContact CB-CB 3.81Å; C50-C78 WeakPolarHBondContact CB-SG 3.36Å; C50-C78 PolarHBondContact N-SG 2.78Å; C50-C78 VanDerWaalsContact SG-CA 3.58Å; C50-C78 WeakPolarHBondContact SG-CB 3.15Å; C50-C78 CovalentContact SG-SG 2.03Å; C50-C78 PolarHBondContact SG-SG 3.07Å; F61-C78 WeakPolarHBondContact CE1-O 3.34Å
79	W	88.5	Confident	87	Confident	92 Å²	92	73.5 Å²	73.5	35%	0.348	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	150.5	177.3	-166.7	-109.6	0	0	0	111.2	H59 F61 F102	H59-W79 HydrophobicContact CB-CB 4.03Å; H59-W79 PolarHBondContact O-N 3.01Å; F61-W79 HydrophobicContact CB-CB 4.08Å; F61-W79 HydrophobicContact CB-CD2 4.45Å; F61-W79 HydrophobicContact CB-CE3 4.38Å; F61-W79 HydrophobicContact CB-CG 4.35Å; F61-W79 HydrophobicContact CD1-CB 3.91Å; F61-W79 HydrophobicContact CD1-CD2 4.35Å; F61-W79 AromaticContact CD1-CE3 3.69Å; F61-W79 HydrophobicContact CD1-CE3 3.69Å; F61-W79 HydrophobicContact CD1-CG 4.49Å; F61-W79 HydrophobicContact CD2-CE3 4.39Å; F61-W79 HydrophobicContact CE1-CE3 4.03Å; F61-W79 HydrophobicContact CG-CB 4.37Å; F61-W79 HydrophobicContact CG-CD2 4.43Å; F61-W79 AromaticContact CG-CE3 3.89Å; F61-W79 HydrophobicContact CG-CE3 3.89Å; W79-F102 HydrophobicContact CD2-CZ 4.36Å; W79-F102 HydrophobicContact CH2-CE2 4.4Å; W79-F102 HydrophobicContact CZ2-CE2 4.46Å; W79-F102 HydrophobicContact CZ2-CZ 4.2Å; W79-F102 HydrophobicContact CZ3-CE2 4.44Å
80	L	83	Confident	87.5	Confident	139 Å²	139	75.8 Å²	75.8	73%	0.728	39%	0.389	S	S	*	.			trans	-65.9	163	176.4	-64.4	167.7	0	0	0	110.6	D82	L80-D82 PolarHBondContact O-N 3.37Å; L80-D82 VanDerWaalsContact O-N 3.12Å
81	D	83.9	Confident	87.9	Confident	60 Å²	60	72 Å²	72	32%	0.321	36%	0.362	S	S	.	.			trans	-61.3	110	175.3	-168.5	0.9	0	0	0	110.8	K56 R57 Y86	K56-D81 WeakPolarHBondContact CA-OD2 3.33Å; K56-D81 HydrophobicContact CB-CB 4.09Å; K56-D81 WeakPolarHBondContact CB-OD2 3.48Å; K56-D81 HydrophobicContact CG-CB 4.39Å; R57-D81 VanDerWaalsContact N-CG 3.32Å; R57-D81 PolarHBondContact N-OD2 2.9Å; R57-D81 VanDerWaalsContact N-OD2 3.08Å; R57-D81 WeakPolarHBondContact O-CA 3.28Å; R57-D81 WeakPolarHBondContact O-CB 3.38Å; D81-Y86 WeakPolarHBondContact OD1-CE1 3.29Å; D81-Y86 VanDerWaalsContact OD1-CZ 3.23Å; D81-Y86 PolarHBondContact OD1-OH 3.33Å
82	D	80.3	Confident	88	Confident	53 Å²	53	68.1 Å²	68.1	28%	0.283	34%	0.344	S	S	.	.			trans	-136.7	124.5	-178.8	-170.8	-44.4	0	0	0	110.1	L80 N84 C85 Y86	L80-D82 PolarHBondContact O-N 3.37Å; L80-D82 VanDerWaalsContact O-N 3.12Å; D82-N84 PolarHBondContact O-N 3.36Å; D82-N84 VanDerWaalsContact O-N 3.08Å; D82-N84 VanDerWaalsContact OD1-CB 3.27Å; D82-N84 WeakPolarHBondContact OD1-CB 3.24Å; D82-N84 PolarHBondContact OD1-N 3.05Å; D82-N84 PolarHBondContact OD1-ND2 3.03Å; D82-C85 WeakPolarHBondContact O-CB 3.42Å; D82-C85 PolarHBondContact O-N 3.46Å; D82-Y86 WeakPolarHBondContact O-CD1 3.35Å; D82-Y86 VanDerWaalsContact O-CE1 3.29Å; D82-Y86 WeakPolarHBondContact O-CE1 3.09Å
83	I	81.5	Confident	88	Confident	127 Å²	127	64.2 Å²	64.2	65%	0.651	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-57.3	-26.8	-177.8	-163.2	166.2	0	0	0	113.2	C85 Y86	I83-C85 PolarHBondContact O-N 2.02Å; I83-Y86 HydrophobicContact CB-CE2 4.46Å; I83-Y86 HydrophobicContact CG1-CD2 4.02Å; I83-Y86 HydrophobicContact CG1-CE2 4.15Å; I83-Y86 WeakPolarHBondContact O-CB 3.33Å; I83-Y86 PolarHBondContact O-N 3.06Å
84	N	82.4	Confident	87.7	Confident	101 Å²	101	67.1 Å²	67.1	54%	0.54	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-70.9	-20.7	178.4	-62	-62.3	0	0	0	112.7	D82 R88	D82-N84 PolarHBondContact O-N 3.36Å; D82-N84 VanDerWaalsContact O-N 3.08Å; D82-N84 VanDerWaalsContact OD1-CB 3.27Å; D82-N84 WeakPolarHBondContact OD1-CB 3.24Å; D82-N84 PolarHBondContact OD1-N 3.05Å; D82-N84 PolarHBondContact OD1-ND2 3.03Å; N84-R88 WeakPolarHBondContact O-CD 3.14Å; N84-R88 VanDerWaalsContact O-CZ 3.3Å; N84-R88 PolarHBondContact O-NE 2.87Å; N84-R88 PolarHBondContact O-NH2 3.35Å
85	C	85.2	Confident	87.2	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.007	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-93.4	-6.1	-179.1	-50.8	0	0	0	0	112.6	H59 D82 I83 D87 R88 C104	H59-C85 HydrophobicContact CB-CB 4.14Å; D82-C85 WeakPolarHBondContact O-CB 3.42Å; D82-C85 PolarHBondContact O-N 3.46Å; I83-C85 PolarHBondContact O-N 2.02Å; C85-D87 PolarHBondContact O-N 2.85Å; C85-R88 PolarHBondContact O-N 3.27Å; C85-C104 WeakPolarHBondContact CA-SG 3.35Å; C85-C104 HydrophobicContact CB-CB 3.82Å; C85-C104 WeakPolarHBondContact CB-SG 3.37Å; C85-C104 WeakPolarHBondContact SG-CB 3.24Å; C85-C104 CovalentContact SG-SG 2.02Å; C85-C104 PolarHBondContact SG-SG 3.13Å
86	Y	85.5	Confident	86.4	Confident	72 Å²	72	73.5 Å²	73.5	28%	0.282	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	131.8	-175.7	-75.3	14	0	0	0	110.8	R57 H59 D81 D82 I83 R88	R57-Y86 HydrophobicContact CB-CD1 4.45Å; R57-Y86 HydrophobicContact CB-CE1 3.85Å; R57-Y86 HydrophobicContact CG-CE1 4.15Å; R57-Y86 VanDerWaalsContact NH1-CD2 3.28Å; R57-Y86 VanDerWaalsContact NH1-CG 3.28Å; H59-Y86 AromaticContact CE1-CD1 3.61Å; H59-Y86 AromaticContact NE2-CD1 3.45Å; H59-Y86 WeakPolarHBondContact NE2-CD1 3.25Å; H59-Y86 AromaticContact NE2-CE1 3.45Å; H59-Y86 WeakPolarHBondContact NE2-CE1 3.44Å; D81-Y86 WeakPolarHBondContact OD1-CE1 3.29Å; D81-Y86 VanDerWaalsContact OD1-CZ 3.23Å; D81-Y86 PolarHBondContact OD1-OH 3.33Å; D82-Y86 WeakPolarHBondContact O-CD1 3.35Å; D82-Y86 VanDerWaalsContact O-CE1 3.29Å; D82-Y86 WeakPolarHBondContact O-CE1 3.09Å; I83-Y86 HydrophobicContact CB-CE2 4.46Å; I83-Y86 HydrophobicContact CG1-CD2 4.02Å; I83-Y86 HydrophobicContact CG1-CE2 4.15Å; I83-Y86 WeakPolarHBondContact O-CB 3.33Å; I83-Y86 PolarHBondContact O-N 3.06Å; Y86-R88 PolarHBondContact O-N 2.95Å
87	D	84.4	Confident	85.6	Confident	116 Å²	116	77.6 Å²	77.6	62%	0.62	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	16.7	173.1	-51.7	-55.9	0	0	0	113.5	R57 C85 E106	R57-D87 IonicContact CZ-OD1 2.87Å; R57-D87 IonicContact CZ-OD2 2.69Å; R57-D87 IonicContact NH1-OD1 3.47Å; R57-D87 IonicContact NH1-OD2 2.62Å; R57-D87 PolarHBondContact NH1-OD2 2.97Å; R57-D87 IonicContact NH2-OD1 3.83Å; R57-D87 PolarHBondContact NH2-OD1 3.21Å; R57-D87 IonicContact NH2-OD2 3.87Å; C85-D87 PolarHBondContact O-N 2.85Å; D87-E106 PolarHBondContact N-OE2 3.02Å
88	R	85.8	Confident	84.8	Confident	102 Å²	102	78.3 Å²	78.3	39%	0.385	40%	0.4	S	S	.	.			trans	-87.4	103.1	170.3	-67.7	-164.9	-177.3	-161.5	5	110	N84 C85 Y86 C105 E106	N84-R88 WeakPolarHBondContact O-CD 3.14Å; N84-R88 VanDerWaalsContact O-CZ 3.3Å; N84-R88 PolarHBondContact O-NE 2.87Å; N84-R88 PolarHBondContact O-NH2 3.35Å; C85-R88 PolarHBondContact O-N 3.27Å; Y86-R88 PolarHBondContact O-N 2.95Å; R88-C105 CarbonylContact O-C 3.45Å; R88-C105 WeakPolarHBondContact O-CA 3.15Å; R88-C105 WeakPolarHBondContact O-CB 3.04Å; R88-E106 PolarHBondContact O-N 2.96Å
89	T	88.1	Confident	84.3	Confident	98 Å²	98	85.5 Å²	85.5	60%	0.601	43%	0.43	S	S	*	.			trans	-73.7	-30.3	177.8	48.3	0	0	0	0	113.3
90	D	89.6	Confident	84.3	Confident	111 Å²	111	84 Å²	84	59%	0.594	43%	0.431	S	S	*	.	S	Bend	trans	-113.4	135.3	-173.2	-58.9	-76.6	0	0	0	111.3	V92	D90-V92 HydrophobicContact CB-CG2 3.88Å; D90-V92 PolarHBondContact O-N 2.89Å
91	C	91.4	Very high	84.7	Confident	1 Å²	1	78.9 Å²	78.9	1%	0.007	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	89.5	177.4	-152.2	0	0	0	0	110	C103 C105 F114 S115	C91-C103 VanDerWaalsContact CA-SG 3.54Å; C91-C103 HydrophobicContact CB-CB 4Å; C91-C103 WeakPolarHBondContact CB-SG 3.26Å; C91-C103 PolarHBondContact O-SG 2.81Å; C91-C103 WeakPolarHBondContact SG-CB 3.33Å; C91-C103 PolarHBondContact SG-O 3.19Å; C91-C103 VanDerWaalsContact SG-O 3.41Å; C91-C103 CovalentContact SG-SG 2.02Å; C91-C103 PolarHBondContact SG-SG 3.44Å; C91-C105 HydrophobicContact CB-CB 4.16Å; C91-F114 HydrophobicContact CB-CB 4.36Å; C91-F114 VanDerWaalsContact O-CA 3.28Å; C91-F114 WeakPolarHBondContact O-CA 3.39Å; C91-S115 PolarHBondContact O-N 2.85Å
92	V	91.9	Very high	85.2	Confident	25 Å²	25	79.3 Å²	79.3	15%	0.152	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126	-176.7	-174.8	0	0	0	0	111.6	D90 K94 S115 F117	D90-V92 HydrophobicContact CB-CG2 3.88Å; D90-V92 PolarHBondContact O-N 2.89Å; V92-K94 HydrophobicContact CG1-CG 4.22Å; V92-S115 WeakPolarHBondContact CA-O 3.2Å; V92-F117 HydrophobicContact CG1-CB 4.04Å; V92-F117 HydrophobicContact CG1-CD2 3.72Å; V92-F117 HydrophobicContact CG1-CG 4.38Å; V92-F117 HydrophobicContact CG2-CD2 4.49Å
93	E	89.6	Confident	85.9	Confident	26 Å²	26	76.9 Å²	76.9	12%	0.121	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	130.6	165.6	178.2	58.6	-84.7	0	0	109.4	W64 K95 P98 Y101 F102 S115 Y116 F117	W64-E93 HydrophobicContact CH2-CB 3.89Å; W64-E93 HydrophobicContact CZ2-CB 4.1Å; E93-K95 VanDerWaalsContact OE1-CB 3.23Å; E93-K95 WeakPolarHBondContact OE1-CB 2.96Å; E93-K95 PolarHBondContact OE1-N 2.83Å; E93-P98 HydrophobicContact CG-CG 4.12Å; E93-Y101 HydrophobicContact CB-CD1 4.33Å; E93-Y101 HydrophobicContact CG-CD1 3.88Å; E93-F102 VanDerWaalsContact CD-O 3.28Å; E93-F102 PolarHBondContact OE2-N 2.86Å; E93-S115 PolarHBondContact N-O 2.92Å; E93-Y116 HydrophobicContact CB-CD2 4.12Å; E93-Y116 HydrophobicContact CG-CD2 4.02Å; E93-Y116 HydrophobicContact CG-CE2 4.32Å; E93-Y116 WeakPolarHBondContact O-CD2 3.35Å; E93-F117 PolarHBondContact O-N 3.45Å
94	K	84.4	Confident	86.5	Confident	110 Å²	110	71.1 Å²	71.1	48%	0.478	36%	0.359	S	S	.	.			trans	-116	-14.5	-178.3	-66.1	-172.5	177	-173.2	0	113.2	V92	V92-K94 HydrophobicContact CG1-CG 4.22Å
95	K	80.5	Confident	86.9	Confident	142 Å²	142	66.3 Å²	66.3	62%	0.617	33%	0.333	S	S	*	.	S	Bend	trans	-65.4	137.9	-177.4	-170.1	173	179	-178.2	0	110.5	E93 S97 P98 Y116	E93-K95 VanDerWaalsContact OE1-CB 3.23Å; E93-K95 WeakPolarHBondContact OE1-CB 2.96Å; E93-K95 PolarHBondContact OE1-N 2.83Å; K95-S97 PolarHBondContact O-N 3.46Å; K95-P98 HydrophobicContact CD-CB 4.45Å; K95-P98 WeakPolarHBondContact O-CD 3.25Å; K95-Y116 WeakPolarHBondContact O-CE2 3.44Å; K95-Y116 PolarHBondContact O-OH 3.18Å
96	D	78.1	Confident	87.1	Confident	122 Å²	122	66.9 Å²	66.9	65%	0.652	34%	0.336	S	S	*	.	S	Bend	trans	-69.6	126.6	175	-170.1	10.3	0	0	0	110.5
97	S	76.7	Confident	87.2	Confident	92 Å²	92	64.6 Å²	64.6	64%	0.643	33%	0.334	S	S	*	.	S	Bend	trans	46.1	54.7	170.4	-56.1	0	0	0	0	116.8	K95 Y116	K95-S97 PolarHBondContact O-N 3.46Å; S97-Y116 PolarHBondContact N-OH 2.65Å
98	P	77.6	Confident	87.4	Confident	17 Å²	17	63 Å²	63	11%	0.11	33%	0.326	C	S	.	.			trans	-73.8	142.8	176	32.3	-35.2	0	0	0	111.7	E93 K95 V100 Y101	E93-P98 HydrophobicContact CG-CG 4.12Å; K95-P98 HydrophobicContact CD-CB 4.45Å; K95-P98 WeakPolarHBondContact O-CD 3.25Å; P98-V100 PolarHBondContact O-N 2.78Å; P98-Y101 HydrophobicContact CG-CD1 3.66Å; P98-Y101 HydrophobicContact CG-CD2 4.38Å; P98-Y101 HydrophobicContact CG-CE1 3.8Å; P98-Y101 HydrophobicContact CG-CG 3.95Å
99	E	83.1	Confident	87.6	Confident	188 Å²	188	61 Å²	61	88%	0.879	32%	0.322	S	S	*	.	S	Bend	trans	-62.9	-33.7	174	-65.5	-176.6	172.4	0	0	112.4
100	V	88.1	Confident	87.8	Confident	62 Å²	62	57.3 Å²	57.3	38%	0.376	30%	0.3	S	S	.	.	S	Bend	trans	-132.5	122.3	172.8	-176.1	0	0	0	0	107.3	K65 P98	K65-V100 HydrophobicContact CG-CG1 4.46Å; K65-V100 HydrophobicContact CG-CG2 4.18Å; P98-V100 PolarHBondContact O-N 2.78Å
101	Y	91.4	Very high	88	Confident	30 Å²	30	52 Å²	52	12%	0.118	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	136.5	179.4	-63.8	-102.8	0	0	0	109.1	T63 W64 N66 E93 P98 Y116	T63-Y101 VanDerWaalsContact CA-O 3.25Å; T63-Y101 WeakPolarHBondContact CA-O 3.49Å; W64-Y101 HydrophobicContact CD2-CG 4.44Å; W64-Y101 AromaticContact CE2-CG 3.76Å; W64-Y101 VanDerWaalsContact CZ2-CB 3.48Å; W64-Y101 HydrophobicContact CZ2-CD1 4.12Å; W64-Y101 HydrophobicContact CZ2-CG 4.08Å; W64-Y101 PolarHBondContact N-O 2.9Å; W64-Y101 VanDerWaalsContact N-O 3.09Å; W64-Y101 AromaticContact NE1-CD1 3.96Å; W64-Y101 AromaticContact NE1-CD2 3.9Å; W64-Y101 AromaticContact NE1-CG 3.49Å; W64-Y101 WeakPolarHBondContact O-CB 3.4Å; W64-Y101 PolarHBondContact O-N 3.2Å; N66-Y101 HydrophobicContact CB-CE2 3.84Å; E93-Y101 HydrophobicContact CB-CD1 4.33Å; E93-Y101 HydrophobicContact CG-CD1 3.88Å; P98-Y101 HydrophobicContact CG-CD1 3.66Å; P98-Y101 HydrophobicContact CG-CD2 4.38Å; P98-Y101 HydrophobicContact CG-CE1 3.8Å; P98-Y101 HydrophobicContact CG-CG 3.95Å; Y101-Y116 AromaticContact CD1-CD2 3.89Å; Y101-Y116 HydrophobicContact CD1-CD2 3.89Å; Y101-Y116 HydrophobicContact CD1-CE2 4.34Å; Y101-Y116 HydrophobicContact CD1-CG 4.06Å; Y101-Y116 AromaticContact CE1-CD1 3.84Å; Y101-Y116 HydrophobicContact CE1-CD1 3.84Å; Y101-Y116 AromaticContact CE1-CD2 3.68Å; Y101-Y116 HydrophobicContact CE1-CD2 3.68Å; Y101-Y116 AromaticContact CE1-CE1 3.99Å; Y101-Y116 HydrophobicContact CE1-CE1 3.99Å; Y101-Y116 AromaticContact CE1-CE2 3.87Å; Y101-Y116 HydrophobicContact CE1-CE2 3.87Å; Y101-Y116 AromaticContact CE1-CG 3.67Å; Y101-Y116 HydrophobicContact CE1-CG 3.67Å; Y101-Y116 AromaticContact CE1-CZ 4Å
102	F	94.1	Very high	88	Confident	69 Å²	69	57.4 Å²	57.4	30%	0.303	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	137.7	178.4	172.4	-88.8	0	0	0	110.1	F61 T63 W79 E93 C104	F61-F102 HydrophobicContact CB-CE2 3.95Å; F61-F102 HydrophobicContact CB-CZ 4.22Å; F61-F102 HydrophobicContact CD2-CD2 4.42Å; F61-F102 AromaticContact CD2-CE2 3.94Å; F61-F102 HydrophobicContact CD2-CE2 3.94Å; F61-F102 HydrophobicContact CG-CE2 4.24Å; T63-F102 HydrophobicContact CG2-CB 4.25Å; T63-F102 HydrophobicContact CG2-CD2 3.53Å; T63-F102 HydrophobicContact CG2-CE2 4.41Å; T63-F102 HydrophobicContact CG2-CG 4.36Å; W79-F102 HydrophobicContact CD2-CZ 4.36Å; W79-F102 HydrophobicContact CH2-CE2 4.4Å; W79-F102 HydrophobicContact CZ2-CE2 4.46Å; W79-F102 HydrophobicContact CZ2-CZ 4.2Å; W79-F102 HydrophobicContact CZ3-CE2 4.44Å; E93-F102 VanDerWaalsContact CD-O 3.28Å; E93-F102 PolarHBondContact OE2-N 2.86Å; F102-C104 HydrophobicContact CE1-CB 4.05Å; F102-C104 HydrophobicContact CZ-CB 4.02Å
103	C	94	Very high	88	Confident	2 Å²	2	64 Å²	64	1%	0.014	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	151.4	165.4	62.5	0	0	0	0	110.6	F61 A62 W64 C91	F61-C103 CarbonylContact C-O 3.5Å; F61-C103 WeakPolarHBondContact CA-O 3.25Å; F61-C103 WeakPolarHBondContact CB-O 3.04Å; A62-C103 PolarHBondContact N-O 3.2Å; A62-C103 PolarHBondContact O-N 2.77Å; W64-C103 HydrophobicContact CH2-CB 4.25Å; W64-C103 HydrophobicContact CZ3-CB 4.24Å; W64-C103 WeakPolarHBondContact CZ3-SG 3.48Å; C91-C103 VanDerWaalsContact CA-SG 3.54Å; C91-C103 HydrophobicContact CB-CB 4Å; C91-C103 WeakPolarHBondContact CB-SG 3.26Å; C91-C103 PolarHBondContact O-SG 2.81Å; C91-C103 WeakPolarHBondContact SG-CB 3.33Å; C91-C103 PolarHBondContact SG-O 3.19Å; C91-C103 VanDerWaalsContact SG-O 3.41Å; C91-C103 CovalentContact SG-SG 2.02Å; C91-C103 PolarHBondContact SG-SG 3.44Å
104	C	94.1	Very high	88.1	Confident	6 Å²	6	65 Å²	65	4%	0.041	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146.4	168.2	64	0	0	0	0	110.3	C60 F61 C85 F102	C60-C104 VanDerWaalsContact O-CA 3.26Å; C60-C104 WeakPolarHBondContact O-CA 3.33Å; F61-C104 HydrophobicContact CB-CB 4.43Å; C85-C104 WeakPolarHBondContact CA-SG 3.35Å; C85-C104 HydrophobicContact CB-CB 3.82Å; C85-C104 WeakPolarHBondContact CB-SG 3.37Å; C85-C104 WeakPolarHBondContact SG-CB 3.24Å; C85-C104 CovalentContact SG-SG 2.02Å; C85-C104 PolarHBondContact SG-SG 3.13Å; F102-C104 HydrophobicContact CE1-CB 4.05Å; F102-C104 HydrophobicContact CZ-CB 4.02Å
105	C	91.6	Very high	88.3	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	168.6	-175.5	58.7	0	0	0	0	110.5	H59 C60 R88 C91 C110 N111	H59-C105 CarbonylContact C-O 3.6Å; H59-C105 VanDerWaalsContact CA-O 3.25Å; H59-C105 WeakPolarHBondContact CA-O 3.37Å; H59-C105 WeakPolarHBondContact CB-O 3.47Å; C60-C105 PolarHBondContact N-O 3.43Å; C60-C105 PolarHBondContact O-N 2.85Å; R88-C105 CarbonylContact O-C 3.45Å; R88-C105 WeakPolarHBondContact O-CA 3.15Å; R88-C105 WeakPolarHBondContact O-CB 3.04Å; C91-C105 HydrophobicContact CB-CB 4.16Å; C105-C110 HydrophobicContact CB-CB 3.82Å; C105-C110 WeakPolarHBondContact CB-SG 3.42Å; C105-C110 PolarHBondContact O-SG 2.79Å; C105-C110 WeakPolarHBondContact SG-CB 3.42Å; C105-C110 PolarHBondContact SG-O 3.45Å; C105-C110 CovalentContact SG-SG 2.04Å; C105-C110 PolarHBondContact SG-SG 2.84Å; C105-N111 PolarHBondContact SG-N 3.36Å
106	E	89.1	Confident	88.7	Confident	13 Å²	13	58.4 Å²	58.4	6%	0.061	30%	0.302	C	S	.	.			trans	-128.6	120.6	-177.9	-168.4	175.6	176.1	0	0	110.4	R24 R57 H59 D87 R88	R24-E106 IonicContact CZ-OE1 3.17Å; R24-E106 IonicContact NE-OE1 2.8Å; R24-E106 IonicContact NH1-OE1 2.73Å; R24-E106 PolarHBondContact NH1-OE1 2.93Å; R24-E106 IonicContact NH2-OE1 3.11Å; R24-E106 PolarHBondContact NH2-OE1 3.08Å; R24-E106 IonicContact NH2-OE2 3.88Å; R57-E106 IonicContact CZ-OE1 3.57Å; R57-E106 VanDerWaalsContact CZ-OE1 3.27Å; R57-E106 IonicContact CZ-OE2 3.8Å; R57-E106 IonicContact NE-OE1 3.47Å; R57-E106 PolarHBondContact NE-OE1 2.83Å; R57-E106 IonicContact NE-OE2 2.77Å; R57-E106 PolarHBondContact NE-OE2 2.02Å; R57-E106 IonicContact NH2-OE1 3.26Å; R57-E106 PolarHBondContact NH2-OE1 3.37Å; R57-E106 IonicContact NH2-OE2 2.85Å; R57-E106 PolarHBondContact NH2-OE2 3.31Å; H59-E106 IonicContact CE1-OE2 2.78Å; D87-E106 PolarHBondContact N-OE2 3.02Å; R88-E106 PolarHBondContact O-N 2.96Å
107	G	87.3	Confident	88.9	Confident	24 Å²	24	59 Å²	59	25%	0.247	30%	0.299	C	S	.	.	S	Bend	trans	135.6	149.1	-177.4	0	0	0	0	0	112.1	Q28 M109 C110	Q28-G107 VanDerWaalsContact CD-C 3.42Å; Q28-G107 PolarHBondContact NE2-O 2.81Å; G107-M109 PolarHBondContact O-N 3.01Å; G107-C110 WeakPolarHBondContact O-CB 3.03Å; G107-C110 PolarHBondContact O-N 2.89Å; G107-C110 PolarHBondContact O-SG 2.94Å
108	N	89.4	Confident	88.8	Confident	83 Å²	83	57.1 Å²	57.1	44%	0.444	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	126.2	-175.2	-84.9	-31.4	0	0	0	111.9	T27 Q28 E29 C110	T27-N108 PolarHBondContact O-ND2 2.94Å; T27-N108 PolarHBondContact O-OD1 3.43Å; Q28-N108 WeakPolarHBondContact CA-OD1 3.38Å; Q28-N108 VanDerWaalsContact NE2-CA 3.3Å; Q28-N108 VanDerWaalsContact OE1-N 3.16Å; E29-N108 PolarHBondContact N-OD1 3.45Å; N108-C110 PolarHBondContact O-N 3.47Å
109	M	90.5	Very high	88.5	Confident	61 Å²	61	64 Å²	64	30%	0.3	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	25.9	-179.9	-57.3	-118.8	-67	0	0	113.7	E29 V47 G107 N111 E112	E29-M109 PolarHBondContact O-N 2.88Å; V47-M109 HydrophobicContact CG1-SD 4.07Å; V47-M109 HydrophobicContact CG2-SD 3.84Å; G107-M109 PolarHBondContact O-N 3.01Å; M109-N111 PolarHBondContact O-N 2.89Å; M109-E112 WeakPolarHBondContact O-CB 3.22Å; M109-E112 PolarHBondContact O-N 3.01Å
110	C	91.5	Very high	87.2	Confident	20 Å²	20	62.6 Å²	62.6	14%	0.135	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-19.8	-177.1	68.1	0	0	0	0	113	C60 C105 G107 N108 E112	C60-C110 VanDerWaalsContact CB-SG 3.59Å; C105-C110 HydrophobicContact CB-CB 3.82Å; C105-C110 WeakPolarHBondContact CB-SG 3.42Å; C105-C110 PolarHBondContact O-SG 2.79Å; C105-C110 WeakPolarHBondContact SG-CB 3.42Å; C105-C110 PolarHBondContact SG-O 3.45Å; C105-C110 CovalentContact SG-SG 2.04Å; C105-C110 PolarHBondContact SG-SG 2.84Å; G107-C110 WeakPolarHBondContact O-CB 3.03Å; G107-C110 PolarHBondContact O-N 2.89Å; G107-C110 PolarHBondContact O-SG 2.94Å; N108-C110 PolarHBondContact O-N 3.47Å; C110-E112 VanDerWaalsContact C-N 3.32Å
111	N	93.5	Very high	85.6	Confident	0 Å²	0	68 Å²	68	0%	0	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	4.6	176.3	68.6	-26.3	0	0	0	114	L31 C60 F61 A62 Q76 C105 M109 K113	L31-N111 PolarHBondContact N-OD1 3.17Å; L31-N111 PolarHBondContact O-ND2 3.23Å; C60-N111 HydrophobicContact CB-CB 3.59Å; C60-N111 VanDerWaalsContact CB-CG 3.44Å; F61-N111 PolarHBondContact O-ND2 2.85Å; A62-N111 HydrophobicContact CB-CB 4.4Å; Q76-N111 PolarHBondContact NE2-O 3.41Å; C105-N111 PolarHBondContact SG-N 3.36Å; M109-N111 PolarHBondContact O-N 2.89Å; N111-K113 VanDerWaalsContact C-N 3.31Å
112	E	91.6	Very high	83.6	Confident	113 Å²	113	73.1 Å²	73.1	53%	0.528	37%	0.366	S	S	.	.	S	Bend	trans	-60.7	-42.9	173	-178.4	-174.6	-161.4	0	0	111	L31 M109 C110	L31-E112 HydrophobicContact CD1-CB 4.46Å; L31-E112 HydrophobicContact CD1-CG 4.36Å; M109-E112 WeakPolarHBondContact O-CB 3.22Å; M109-E112 PolarHBondContact O-N 3.01Å; C110-E112 VanDerWaalsContact C-N 3.32Å
113	K	91.7	Very high	81.2	Confident	165 Å²	165	75.5 Å²	75.5	72%	0.717	39%	0.386	S	S	*	.	S	Bend	trans	-111.8	123.5	176.2	-66.2	178.7	-175.3	172.9	0	109.2	N111	N111-K113 VanDerWaalsContact C-N 3.31Å
114	F	91	Very high	78.3	Confident	47 Å²	47	83.4 Å²	83.4	21%	0.206	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	148.4	172.2	57.2	-91.4	0	0	0	110	A62 W64 I71 I73 C91	A62-F114 HydrophobicContact CB-CB 4.2Å; A62-F114 HydrophobicContact CB-CD1 4.19Å; A62-F114 HydrophobicContact CB-CG 4.36Å; W64-F114 HydrophobicContact CB-CE2 4.08Å; W64-F114 HydrophobicContact CB-CZ 4.39Å; W64-F114 AromaticContact CD1-CE2 3.92Å; W64-F114 AromaticContact CD2-CD2 3.33Å; W64-F114 HydrophobicContact CD2-CD2 3.33Å; W64-F114 AromaticContact CD2-CE2 3.49Å; W64-F114 HydrophobicContact CD2-CE2 3.49Å; W64-F114 VanDerWaalsContact CD2-CE2 3.49Å; W64-F114 HydrophobicContact CD2-CG 4.19Å; W64-F114 HydrophobicContact CD2-CZ 4.46Å; W64-F114 AromaticContact CE2-CD2 3.48Å; W64-F114 VanDerWaalsContact CE2-CD2 3.48Å; W64-F114 AromaticContact CE2-CE2 3.83Å; W64-F114 HydrophobicContact CE3-CB 4.17Å; W64-F114 AromaticContact CE3-CD2 3.44Å; W64-F114 HydrophobicContact CE3-CD2 3.44Å; W64-F114 VanDerWaalsContact CE3-CD2 3.44Å; W64-F114 AromaticContact CE3-CE2 3.94Å; W64-F114 HydrophobicContact CE3-CE2 3.94Å; W64-F114 AromaticContact CE3-CG 3.84Å; W64-F114 HydrophobicContact CE3-CG 3.84Å; W64-F114 AromaticContact CG-CD2 3.95Å; W64-F114 HydrophobicContact CG-CD2 3.95Å; W64-F114 AromaticContact CG-CE2 3.56Å; W64-F114 HydrophobicContact CG-CE2 3.56Å; W64-F114 HydrophobicContact CG-CZ 4.34Å; W64-F114 HydrophobicContact CH2-CB 3.91Å; W64-F114 AromaticContact CH2-CD2 3.89Å; W64-F114 HydrophobicContact CH2-CD2 3.89Å; W64-F114 HydrophobicContact CH2-CG 4.28Å; W64-F114 AromaticContact CZ2-CD2 3.75Å; W64-F114 HydrophobicContact CZ2-CD2 3.75Å; W64-F114 HydrophobicContact CZ3-CB 3.72Å; W64-F114 AromaticContact CZ3-CD2 3.75Å; W64-F114 HydrophobicContact CZ3-CD2 3.75Å; W64-F114 AromaticContact CZ3-CG 3.92Å; W64-F114 HydrophobicContact CZ3-CG 3.92Å; I71-F114 HydrophobicContact CG2-CE2 3.7Å; I71-F114 HydrophobicContact CG2-CZ 3.8Å; I73-F114 HydrophobicContact CD1-CE1 3.76Å; I73-F114 HydrophobicContact CD1-CZ 4Å; I73-F114 HydrophobicContact CG1-CE1 3.98Å; I73-F114 HydrophobicContact CG1-CZ 3.79Å; C91-F114 HydrophobicContact CB-CB 4.36Å; C91-F114 VanDerWaalsContact O-CA 3.28Å; C91-F114 WeakPolarHBondContact O-CA 3.39Å
115	S	89.8	Confident	76.1	Confident	40 Å²	40	89 Å²	89	28%	0.28	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	159	-177.3	57.5	0	0	0	0	111.9	C91 V92 E93 F117	C91-S115 PolarHBondContact O-N 2.85Å; V92-S115 WeakPolarHBondContact CA-O 3.2Å; E93-S115 PolarHBondContact N-O 2.92Å; S115-F117 VanDerWaalsContact OG-CE2 3.29Å; S115-F117 WeakPolarHBondContact OG-CE2 3.05Å
116	Y	87.6	Confident	73.5	Confident	72 Å²	72	95.2 Å²	95.2	28%	0.282	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	114.5	178.1	176.5	-127.6	0	0	0	109.4	E93 K95 S97 Y101 P118	E93-Y116 HydrophobicContact CB-CD2 4.12Å; E93-Y116 HydrophobicContact CG-CD2 4.02Å; E93-Y116 HydrophobicContact CG-CE2 4.32Å; E93-Y116 WeakPolarHBondContact O-CD2 3.35Å; K95-Y116 WeakPolarHBondContact O-CE2 3.44Å; K95-Y116 PolarHBondContact O-OH 3.18Å; S97-Y116 PolarHBondContact N-OH 2.65Å; Y101-Y116 AromaticContact CD1-CD2 3.89Å; Y101-Y116 HydrophobicContact CD1-CD2 3.89Å; Y101-Y116 HydrophobicContact CD1-CE2 4.34Å; Y101-Y116 HydrophobicContact CD1-CG 4.06Å; Y101-Y116 AromaticContact CE1-CD1 3.84Å; Y101-Y116 HydrophobicContact CE1-CD1 3.84Å; Y101-Y116 AromaticContact CE1-CD2 3.68Å; Y101-Y116 HydrophobicContact CE1-CD2 3.68Å; Y101-Y116 AromaticContact CE1-CE1 3.99Å; Y101-Y116 HydrophobicContact CE1-CE1 3.99Å; Y101-Y116 AromaticContact CE1-CE2 3.87Å; Y101-Y116 HydrophobicContact CE1-CE2 3.87Å; Y101-Y116 AromaticContact CE1-CG 3.67Å; Y101-Y116 HydrophobicContact CE1-CG 3.67Å; Y101-Y116 AromaticContact CE1-CZ 4Å; Y116-P118 HydrophobicContact CE1-CG 4.01Å; Y116-P118 HydrophobicContact CE2-CB 4.16Å; Y116-P118 HydrophobicContact CE2-CG 4.39Å
117	F	82.5	Confident	71	Confident	134 Å²	134	99.8 Å²	99.8	59%	0.588	53%	0.531	S	S	*	.			trans	-130.1	89.7	175.9	-68.3	-76.5	0	0	0	108.3	V92 E93 S115 E119	V92-F117 HydrophobicContact CG1-CB 4.04Å; V92-F117 HydrophobicContact CG1-CD2 3.72Å; V92-F117 HydrophobicContact CG1-CG 4.38Å; V92-F117 HydrophobicContact CG2-CD2 4.49Å; E93-F117 PolarHBondContact O-N 3.45Å; S115-F117 VanDerWaalsContact OG-CE2 3.29Å; S115-F117 WeakPolarHBondContact OG-CE2 3.05Å; F117-E119 PolarHBondContact O-N 3.47Å
118	P	76.2	Confident	68.3	Low	54 Å²	54	106.1 Å²	106.1	35%	0.351	56%	0.559	S	S	.	*			trans	-61.8	137.7	175.7	24.2	-30.2	0	0	0	109.6	Y116 M120	Y116-P118 HydrophobicContact CE1-CG 4.01Å; Y116-P118 HydrophobicContact CE2-CB 4.16Å; Y116-P118 HydrophobicContact CE2-CG 4.39Å; P118-M120 PolarHBondContact O-N 2.04Å
119	E	69.5	Low	66.1	Low	160 Å²	160	107.3 Å²	107.3	75%	0.748	57%	0.571	S	S	*	*			trans	-68.4	98.4	175.7	-161.1	157	-151.4	0	0	108.4	F117 E121	F117-E119 PolarHBondContact O-N 3.47Å; E119-E121 PolarHBondContact O-N 2.76Å
120	M	56.6	Low	63.4	Low	160 Å²	160	111.5 Å²	111.5	79%	0.788	60%	0.6	S	S	*	*			trans	-70.3	113.1	177.1	-69.4	-177.2	66.7	0	0	108.9	P118 V122	P118-M120 PolarHBondContact O-N 2.04Å; M120-V122 PolarHBondContact O-N 3.05Å
121	E	55.2	Low	61.1	Low	176 Å²	176	115.9 Å²	115.9	82%	0.822	63%	0.626	S	S	*	*			trans	-60.2	109.2	163.5	-75.1	-172.9	165.4	0	0	108.5	E119 T123	E119-E121 PolarHBondContact O-N 2.76Å; E121-T123 VanDerWaalsContact C-N 3.28Å; E121-T123 PolarHBondContact O-N 2.95Å
122	V	49.5	Very low	59	Low	136 Å²	136	121.2 Å²	121.2	82%	0.824	66%	0.661	S	S	*	*			trans	-70.4	88	173	-178.9	0	0	0	0	108.3	M120 Q124	M120-V122 PolarHBondContact O-N 3.05Å; V122-Q124 PolarHBondContact O-N 3.25Å
123	T	42.6	Very low	56.7	Low	120 Å²	120	125 Å²	125	74%	0.736	68%	0.675	S	S	*	*			trans	-82	106.1	160.2	40.4	0	0	0	0	109.2	E121	E121-T123 VanDerWaalsContact C-N 3.28Å; E121-T123 PolarHBondContact O-N 2.95Å
124	Q	34.6	Very low	55.2	Low	167 Å²	167	121.6 Å²	121.6	78%	0.78	67%	0.67	S	S	*	*			trans	-64.5	138	157.1	-85.6	-176.6	-15.2	0	0	109.2	V122	V122-Q124 PolarHBondContact O-N 3.25Å
125	P	47.8	Very low	53.7	Low	125 Å²	125	123.2 Å²	123.2	81%	0.812	69%	0.686	S	S	*	*			trans	-84	123.4	178.1	31.8	-29.3	0	0	0	109.7
126	T	36.6	Very low	52.9	Low	130 Å²	130	130.6 Å²	130.6	80%	0.798	71%	0.709	S	S	*	*			trans	-144.6	116.7	162.3	-15.9	0	0	0	0	110.2
127	S	35.7	Very low	52.3	Low	109 Å²	109	134.6 Å²	134.6	76%	0.762	72%	0.724	S	S	*	*			trans	-65.6	151.2	175	40.3	0	0	0	0	112.5
128	N	31.6	Very low	52	Low	156 Å²	156	131.7 Å²	131.7	83%	0.834	72%	0.715	S	S	*	*			trans	-49.3	145.5	175.6	-65	-44.3	0	0	0	114.1
129	P	42	Very low	52	Low	109 Å²	109	135 Å²	135	71%	0.708	73%	0.728	S	S	*	*				-121.9	134	117.6	32.1	-24.2	0	0	0	111.7	T131	P129-T131 PolarHBondContact O-N 2.87Å; P129-T131 VanDerWaalsContact O-N 3.11Å; P129-T131 PolarHBondContact O-OG1 2.85Å
130	V	35	Very low	52.4	Low	149 Å²	149	132 Å²	132	90%	0.903	72%	0.717	S	S	*	*			trans	-60.9	107.8	177.2	176	0	0	0	0	110
131	T	41.9	Very low	53.6	Low	112 Å²	112	127.5 Å²	127.5	69%	0.687	70%	0.696	S	S	*	*			trans	-148.1	143.8	174.2	-18.5	0	0	0	0	107.4	P129	P129-T131 PolarHBondContact O-N 2.87Å; P129-T131 VanDerWaalsContact O-N 3.11Å; P129-T131 PolarHBondContact O-OG1 2.85Å
132	P	49.4	Very low	55	Low	112 Å²	112	127.2 Å²	127.2	73%	0.727	69%	0.689	S	S	*	*			trans	-71.4	146.5	-133.6	29.7	-34.9	0	0	0	113.4	P134	P132-P134 VanDerWaalsContact O-CD 3.23Å; P132-P134 WeakPolarHBondContact O-CD 3.2Å
133	K	45.1	Very low	56.7	Low	191 Å²	191	123.4 Å²	123.4	83%	0.83	67%	0.668	S	S	*	*			trans	-47.3	110.2	172.2	-65.5	179.9	-179.1	178.1	0	108.9
134	P	59.3	Low	58.8	Low	94 Å²	94	121.6 Å²	121.6	61%	0.61	65%	0.653	S	S	*	*			trans	-63.7	146.2	173.7	26.7	-30.6	0	0	0	107.4	P132 Y136	P132-P134 VanDerWaalsContact O-CD 3.23Å; P132-P134 WeakPolarHBondContact O-CD 3.2Å; P134-Y136 PolarHBondContact O-N 2.79Å
135	P	59.9	Low	61.4	Low	81 Å²	81	117.1 Å²	117.1	53%	0.526	64%	0.637	S	S	.	*			trans	-61.5	117.8	-170.5	25.2	-32	0	0	0	108.3	Y137 N138	P135-Y137 PolarHBondContact O-N 3.43Å; P135-N138 PolarHBondContact O-N 3.42Å
136	Y	71.5	Confident	63.4	Low	195 Å²	195	114.2 Å²	114.2	77%	0.765	62%	0.618	S	S	*	*	H	α-helix	trans	-43.1	-28.9	175.1	-107.1	-94.8	0	0	0	112.5	P134 N138 I139 L140	P134-Y136 PolarHBondContact O-N 2.79Å; Y136-N138 PolarHBondContact O-N 3.5Å; Y136-I139 PolarHBondContact O-N 2.95Å; Y136-L140 PolarHBondContact O-N 2.7Å
137	Y	75.3	Confident	66.1	Low	156 Å²	156	113.2 Å²	113.2	61%	0.612	61%	0.607	S	S	*	*	H	α-helix	trans	-51.5	-42.9	177	-169.5	-100.5	0	0	0	114.6	P135 L140 L141	P135-Y137 PolarHBondContact O-N 3.43Å; Y137-L140 PolarHBondContact O-N 3.06Å; Y137-L141 HydrophobicContact CE1-CD2 4.32Å; Y137-L141 VanDerWaalsContact O-CB 3.29Å; Y137-L141 WeakPolarHBondContact O-CB 3.3Å; Y137-L141 PolarHBondContact O-N 2.79Å
138	N	76.5	Confident	68.8	Low	73 Å²	73	114.5 Å²	114.5	39%	0.39	60%	0.603	S	S	.	*	H	α-helix	trans	-70.6	-41.4	-173.7	-71.5	-14.5	0	0	0	112.3	P135 Y136 L140 L141 Y142	P135-N138 PolarHBondContact O-N 3.42Å; Y136-N138 PolarHBondContact O-N 3.5Å; N138-L140 VanDerWaalsContact C-N 3.34Å; N138-L141 PolarHBondContact O-N 3.16Å; N138-Y142 HydrophobicContact CB-CE2 4.24Å; N138-Y142 WeakPolarHBondContact O-CD2 3.27Å; N138-Y142 PolarHBondContact O-N 3.23Å
139	I	76.9	Confident	71.7	Confident	123 Å²	123	112.1 Å²	112.1	63%	0.631	59%	0.59	S	S	*	*	H	α-helix	trans	-67.2	-40.6	178.3	-62	170.7	0	0	0	110.1	Y136 L141 S143	Y136-I139 PolarHBondContact O-N 2.95Å; I139-L141 VanDerWaalsContact C-N 3.33Å; I139-L141 PolarHBondContact O-N 3.4Å; I139-S143 PolarHBondContact O-N 3.47Å; I139-S143 PolarHBondContact O-OG 3.42Å
140	L	78.2	Confident	74.2	Confident	97 Å²	97	111.8 Å²	111.8	51%	0.508	58%	0.581	S	S	.	*	H	α-helix	trans	-63.5	-40.5	175.7	-152.4	98.6	0	0	0	111.1	Y136 Y137 N138 S143 L144	Y136-L140 PolarHBondContact O-N 2.7Å; Y137-L140 PolarHBondContact O-N 3.06Å; N138-L140 VanDerWaalsContact C-N 3.34Å; L140-S143 PolarHBondContact O-OG 2.81Å; L140-L144 HydrophobicContact CD1-CD1 4.39Å; L140-L144 HydrophobicContact CD2-CD1 3.53Å; L140-L144 HydrophobicContact CG-CD1 3.53Å; L140-L144 HydrophobicContact CG-CG 4.18Å; L140-L144 WeakPolarHBondContact O-CB 3.22Å; L140-L144 WeakPolarHBondContact O-CG 3.36Å; L140-L144 PolarHBondContact O-N 2.94Å
141	L	80.9	Confident	77.1	Confident	66 Å²	66	106.6 Å²	106.6	35%	0.346	55%	0.554	S	S	.	*	H	α-helix	trans	-64.8	-48.5	179.3	-174.3	71.1	0	0	0	111.8	Y137 N138 I139 S143 V145	Y137-L141 HydrophobicContact CE1-CD2 4.32Å; Y137-L141 VanDerWaalsContact O-CB 3.29Å; Y137-L141 WeakPolarHBondContact O-CB 3.3Å; Y137-L141 PolarHBondContact O-N 2.79Å; N138-L141 PolarHBondContact O-N 3.16Å; I139-L141 VanDerWaalsContact C-N 3.33Å; I139-L141 PolarHBondContact O-N 3.4Å; L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 3.44Å; L141-V145 HydrophobicContact CD1-CG2 3.63Å; L141-V145 HydrophobicContact CG-CG2 4.14Å; L141-V145 VanDerWaalsContact O-CB 3.28Å; L141-V145 WeakPolarHBondContact O-CB 3.35Å; L141-V145 WeakPolarHBondContact O-CG2 3.38Å; L141-V145 PolarHBondContact O-N 3.28Å
142	Y	84	Confident	79.6	Confident	171 Å²	171	102.9 Å²	102.9	67%	0.671	54%	0.538	S	S	*	.	H	α-helix	trans	-70.3	-24.9	-177.9	-65.5	-54.4	0	0	0	114	N138 P146	N138-Y142 HydrophobicContact CB-CE2 4.24Å; N138-Y142 WeakPolarHBondContact O-CD2 3.27Å; N138-Y142 PolarHBondContact O-N 3.23Å; Y142-P146 WeakPolarHBondContact O-CD 3.17Å; Y142-P146 VanDerWaalsContact O-CG 3.26Å; Y142-P146 WeakPolarHBondContact O-CG 3.33Å
143	S	85.5	Confident	81.8	Confident	56 Å²	56	102.6 Å²	102.6	39%	0.392	53%	0.529	S	S	.	.	H	α-helix	trans	-86.1	-43.3	175.7	52.1	0	0	0	0	112.3	I139 L140 L141 L147	I139-S143 PolarHBondContact O-N 3.47Å; I139-S143 PolarHBondContact O-OG 3.42Å; L140-S143 PolarHBondContact O-OG 2.81Å; L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 3.44Å; S143-L147 WeakPolarHBondContact O-CD1 3.28Å; S143-L147 VanDerWaalsContact O-CG 3.3Å; S143-L147 WeakPolarHBondContact O-CG 3.22Å
144	L	87.6	Confident	84.1	Confident	82 Å²	82	97.9 Å²	97.9	43%	0.429	52%	0.516	S	S	.	.	H	α-helix	trans	-76.7	-36	-175.8	-66.1	180	0	0	0	113.2	L140 L147 M148	L140-L144 HydrophobicContact CD1-CD1 4.39Å; L140-L144 HydrophobicContact CD2-CD1 3.53Å; L140-L144 HydrophobicContact CG-CD1 3.53Å; L140-L144 HydrophobicContact CG-CG 4.18Å; L140-L144 WeakPolarHBondContact O-CB 3.22Å; L140-L144 WeakPolarHBondContact O-CG 3.36Å; L140-L144 PolarHBondContact O-N 2.94Å; L144-L147 PolarHBondContact O-N 2.61Å; L144-M148 WeakPolarHBondContact O-CB 3.42Å; L144-M148 WeakPolarHBondContact O-CG 3.4Å; L144-M148 PolarHBondContact O-N 2.72Å
145	V	89.7	Confident	85.8	Confident	73 Å²	73	98.8 Å²	98.8	44%	0.442	52%	0.515	S	S	.	.	H	α-helix	trans	-61.9	-49.1	-176.5	171	0	0	0	0	112.2	L141 L147 M148 L149	L141-V145 HydrophobicContact CD1-CG2 3.63Å; L141-V145 HydrophobicContact CG-CG2 4.14Å; L141-V145 VanDerWaalsContact O-CB 3.28Å; L141-V145 WeakPolarHBondContact O-CB 3.35Å; L141-V145 WeakPolarHBondContact O-CG2 3.38Å; L141-V145 PolarHBondContact O-N 3.28Å; V145-L147 VanDerWaalsContact C-N 3.34Å; V145-L147 PolarHBondContact O-N 3.36Å; V145-M148 PolarHBondContact O-N 2.84Å; V145-L149 WeakPolarHBondContact O-CB 3.43Å; V145-L149 PolarHBondContact O-N 3.1Å
146	P	89.8	Confident	87.3	Confident	64 Å²	64	98.7 Å²	98.7	42%	0.416	52%	0.515	S	S	.	.	H	α-helix	trans	-62.5	-39.4	175.9	-22.8	34.6	0	0	0	112.8	Y142 L149 I150	Y142-P146 WeakPolarHBondContact O-CD 3.17Å; Y142-P146 VanDerWaalsContact O-CG 3.26Å; Y142-P146 WeakPolarHBondContact O-CG 3.33Å; P146-L149 PolarHBondContact O-N 2.76Å; P146-I150 VanDerWaalsContact O-CG1 3.28Å; P146-I150 WeakPolarHBondContact O-CG1 3.25Å; P146-I150 PolarHBondContact O-N 2.83Å
147	L	91.7	Very high	88.2	Confident	108 Å²	108	92.2 Å²	92.2	57%	0.565	50%	0.502	S	S	*	.	H	α-helix	trans	-63.1	-42.6	177.1	-73	174.2	0	0	0	111.8	S143 L144 V145 L149 I150 A151	S143-L147 WeakPolarHBondContact O-CD1 3.28Å; S143-L147 VanDerWaalsContact O-CG 3.3Å; S143-L147 WeakPolarHBondContact O-CG 3.22Å; L144-L147 PolarHBondContact O-N 2.61Å; V145-L147 VanDerWaalsContact C-N 3.34Å; V145-L147 PolarHBondContact O-N 3.36Å; L147-L149 VanDerWaalsContact C-N 3.33Å; L147-I150 PolarHBondContact O-N 3.37Å; L147-A151 VanDerWaalsContact O-CB 3.29Å; L147-A151 WeakPolarHBondContact O-CB 3Å; L147-A151 PolarHBondContact O-N 2.92Å
148	M	92.4	Very high	88.7	Confident	136 Å²	136	90.7 Å²	90.7	67%	0.67	50%	0.498	S	S	*	.	H	α-helix	trans	-67.1	-34	175.3	-70	-62.9	-68.9	0	0	112.1	L144 V145 G152	L144-M148 WeakPolarHBondContact O-CB 3.42Å; L144-M148 WeakPolarHBondContact O-CG 3.4Å; L144-M148 PolarHBondContact O-N 2.72Å; V145-M148 PolarHBondContact O-N 2.84Å; M148-G152 PolarHBondContact O-N 2.66Å
149	L	93.7	Very high	89.2	Confident	107 Å²	107	94.4 Å²	94.4	56%	0.56	51%	0.507	S	S	*	.	H	α-helix	trans	-69.3	-44.7	176.4	-135	159.8	0	0	0	111.1	V145 P146 L147 G152 I153	V145-L149 WeakPolarHBondContact O-CB 3.43Å; V145-L149 PolarHBondContact O-N 3.1Å; P146-L149 PolarHBondContact O-N 2.76Å; L147-L149 VanDerWaalsContact C-N 3.33Å; L149-G152 PolarHBondContact O-N 3.29Å; L149-I153 HydrophobicContact CD2-CD1 3.94Å; L149-I153 HydrophobicContact CD2-CG1 4.37Å; L149-I153 VanDerWaalsContact O-CG1 3.31Å; L149-I153 WeakPolarHBondContact O-CG1 3.34Å; L149-I153 PolarHBondContact O-N 2.92Å
150	I	94.7	Very high	89.4	Confident	102 Å²	102	91.9 Å²	91.9	52%	0.523	50%	0.497	S	S	.	.	H	α-helix	trans	-61.8	-46.9	173.6	-67.6	166	0	0	0	110.1	P146 L147 G152 I153 V154	P146-I150 VanDerWaalsContact O-CG1 3.28Å; P146-I150 WeakPolarHBondContact O-CG1 3.25Å; P146-I150 PolarHBondContact O-N 2.83Å; L147-I150 PolarHBondContact O-N 3.37Å; I150-G152 VanDerWaalsContact C-N 3.3Å; I150-G152 PolarHBondContact O-N 3.27Å; I150-I153 PolarHBondContact O-N 3.45Å; I150-V154 HydrophobicContact CG2-CG2 4.49Å; I150-V154 WeakPolarHBondContact O-CG2 3.27Å; I150-V154 PolarHBondContact O-N 3.34Å
151	A	94.6	Very high	89.3	Confident	40 Å²	40	93.4 Å²	93.4	33%	0.331	50%	0.497	S	S	.	.	H	α-helix	trans	-59.5	-41.8	175.7	0	0	0	0	0	111.6	L147 V154 I155	L147-A151 VanDerWaalsContact O-CB 3.29Å; L147-A151 WeakPolarHBondContact O-CB 3Å; L147-A151 PolarHBondContact O-N 2.92Å; A151-V154 PolarHBondContact O-N 3.18Å; A151-I155 WeakPolarHBondContact O-CB 3.44Å; A151-I155 VanDerWaalsContact O-CG1 3.22Å; A151-I155 WeakPolarHBondContact O-CG1 3.31Å; A151-I155 PolarHBondContact O-N 3.16Å
152	G	94.9	Very high	89.1	Confident	34 Å²	34	96.1 Å²	96.1	35%	0.351	50%	0.503	S	S	.	.	H	α-helix	trans	-61.1	-42.8	174.3	0	0	0	0	0	112.9	M148 L149 I150 I155 C156	M148-G152 PolarHBondContact O-N 2.66Å; L149-G152 PolarHBondContact O-N 3.29Å; I150-G152 VanDerWaalsContact C-N 3.3Å; I150-G152 PolarHBondContact O-N 3.27Å; G152-I155 PolarHBondContact O-N 2.9Å; G152-C156 WeakPolarHBondContact O-CB 3.21Å; G152-C156 PolarHBondContact O-N 3.3Å
153	I	95	Very high	88.4	Confident	106 Å²	106	92.7 Å²	92.7	54%	0.544	49%	0.493	S	S	.	.	H	α-helix	trans	-63.4	-44.2	174.9	-68.6	164.1	0	0	0	110.7	L149 I150 C156 A157	L149-I153 HydrophobicContact CD2-CD1 3.94Å; L149-I153 HydrophobicContact CD2-CG1 4.37Å; L149-I153 VanDerWaalsContact O-CG1 3.31Å; L149-I153 WeakPolarHBondContact O-CG1 3.34Å; L149-I153 PolarHBondContact O-N 2.92Å; I150-I153 PolarHBondContact O-N 3.45Å; I153-C156 PolarHBondContact O-N 3.46Å; I153-A157 VanDerWaalsContact O-CB 3.25Å; I153-A157 WeakPolarHBondContact O-CB 3.47Å; I153-A157 PolarHBondContact O-N 2.87Å
154	V	94.6	Very high	87.4	Confident	91 Å²	91	96.3 Å²	96.3	55%	0.552	50%	0.503	S	S	*	.	H	α-helix	trans	-64.3	-43	177.9	172.8	0	0	0	0	111	I150 A151 A157 F158	I150-V154 HydrophobicContact CG2-CG2 4.49Å; I150-V154 WeakPolarHBondContact O-CG2 3.27Å; I150-V154 PolarHBondContact O-N 3.34Å; A151-V154 PolarHBondContact O-N 3.18Å; V154-A157 PolarHBondContact O-N 2.67Å; V154-F158 VanDerWaalsContact O-CB 3.24Å; V154-F158 WeakPolarHBondContact O-CB 3.37Å; V154-F158 PolarHBondContact O-N 3.46Å
155	I	93.7	Very high	85.7	Confident	114 Å²	114	98.2 Å²	98.2	59%	0.585	51%	0.508	S	S	*	.	H	α-helix	trans	-65.6	-43.5	176.3	-68.6	165.7	0	0	0	110.7	A151 G152 F158 W159	A151-I155 WeakPolarHBondContact O-CB 3.44Å; A151-I155 VanDerWaalsContact O-CG1 3.22Å; A151-I155 WeakPolarHBondContact O-CG1 3.31Å; A151-I155 PolarHBondContact O-N 3.16Å; G152-I155 PolarHBondContact O-N 2.9Å; I155-F158 PolarHBondContact O-N 2.96Å; I155-W159 VanDerWaalsContact O-CB 3.23Å; I155-W159 WeakPolarHBondContact O-CB 3.44Å; I155-W159 PolarHBondContact O-N 3.41Å
156	C	92.6	Very high	83.6	Confident	79 Å²	79	101.3 Å²	101.3	53%	0.534	52%	0.519	S	S	.	.	H	α-helix	trans	-63.2	-45.7	175.3	-106.4	0	0	0	0	111.6	G152 I153 F158 W159 V160	G152-C156 WeakPolarHBondContact O-CB 3.21Å; G152-C156 PolarHBondContact O-N 3.3Å; I153-C156 PolarHBondContact O-N 3.46Å; C156-F158 VanDerWaalsContact C-N 3.31Å; C156-F158 PolarHBondContact O-N 3.3Å; C156-W159 PolarHBondContact O-N 3.43Å; C156-V160 WeakPolarHBondContact O-CB 3.31Å; C156-V160 VanDerWaalsContact O-CG2 3.24Å; C156-V160 WeakPolarHBondContact O-CG2 3.33Å; C156-V160 PolarHBondContact O-N 3.17Å
157	A	88.9	Confident	81.1	Confident	59 Å²	59	101.5 Å²	101.5	49%	0.488	53%	0.526	S	S	.	.	H	α-helix	trans	-60.9	-42.4	176.4	0	0	0	0	0	111	I153 V154 Y161	I153-A157 VanDerWaalsContact O-CB 3.25Å; I153-A157 WeakPolarHBondContact O-CB 3.47Å; I153-A157 PolarHBondContact O-N 2.87Å; V154-A157 PolarHBondContact O-N 2.67Å; A157-Y161 WeakPolarHBondContact O-CB 3.37Å; A157-Y161 PolarHBondContact O-N 3.42Å
158	F	87.8	Confident	78.4	Confident	123 Å²	123	102.6 Å²	102.6	54%	0.539	52%	0.524	S	S	.	.	H	α-helix	trans	-64.7	-41.4	174.1	-176.7	-102.4	0	0	0	112	V154 I155 C156 Y161 R162	V154-F158 VanDerWaalsContact O-CB 3.24Å; V154-F158 WeakPolarHBondContact O-CB 3.37Å; V154-F158 PolarHBondContact O-N 3.46Å; I155-F158 PolarHBondContact O-N 2.96Å; C156-F158 VanDerWaalsContact C-N 3.31Å; C156-F158 PolarHBondContact O-N 3.3Å; F158-Y161 PolarHBondContact O-N 3.3Å; F158-R162 HydrophobicContact CD1-CG 4.09Å; F158-R162 HydrophobicContact CE1-CG 3.79Å; F158-R162 HydrophobicContact CE2-CG 4.24Å; F158-R162 HydrophobicContact CG-CG 4.46Å; F158-R162 HydrophobicContact CZ-CG 3.87Å; F158-R162 WeakPolarHBondContact O-CB 3.29Å; F158-R162 WeakPolarHBondContact O-CG 3.37Å; F158-R162 PolarHBondContact O-N 2.91Å
159	W	85.3	Confident	75.8	Confident	152 Å²	152	101 Å²	101	58%	0.576	52%	0.523	S	S	*	.	H	α-helix	trans	-67	-45.6	178.6	-169	82.2	0	0	0	111.5	I155 C156 R162 H163	I155-W159 VanDerWaalsContact O-CB 3.23Å; I155-W159 WeakPolarHBondContact O-CB 3.44Å; I155-W159 PolarHBondContact O-N 3.41Å; C156-W159 PolarHBondContact O-N 3.43Å; W159-R162 CarbonylContact O-C 3.54Å; W159-R162 PolarHBondContact O-N 3.19Å; W159-H163 AromaticContact CD2-CD2 3.98Å; W159-H163 AromaticContact CE2-CD2 3.42Å; W159-H163 VanDerWaalsContact CE2-CD2 3.42Å; W159-H163 AromaticContact CE2-NE2 3.87Å; W159-H163 AromaticContact CH2-CD2 3.83Å; W159-H163 AromaticContact CZ2-CD2 3.35Å; W159-H163 WeakPolarHBondContact CZ2-CD2 3.49Å; W159-H163 AromaticContact CZ2-NE2 3.42Å; W159-H163 WeakPolarHBondContact CZ2-NE2 2.96Å; W159-H163 AromaticContact NE1-CD2 3.81Å; W159-H163 WeakPolarHBondContact O-CB 3.44Å; W159-H163 PolarHBondContact O-N 2.88Å
160	V	80.9	Confident	73	Confident	70 Å²	70	101.4 Å²	101.4	42%	0.424	53%	0.532	S	S	.	.	H	α-helix	trans	-60.6	-45.6	172.9	170.7	0	0	0	0	110.4	C156 R162 H163 H164	C156-V160 WeakPolarHBondContact O-CB 3.31Å; C156-V160 VanDerWaalsContact O-CG2 3.24Å; C156-V160 WeakPolarHBondContact O-CG2 3.33Å; C156-V160 PolarHBondContact O-N 3.17Å; V160-R162 VanDerWaalsContact C-N 3.31Å; V160-R162 PolarHBondContact O-N 3.12Å; V160-H163 PolarHBondContact O-N 3.17Å; V160-H164 WeakPolarHBondContact O-CB 3.41Å; V160-H164 PolarHBondContact O-N 3Å
161	Y	77.5	Confident	70.1	Confident	129 Å²	129	100.4 Å²	100.4	51%	0.506	53%	0.531	S	S	.	.	H	α-helix	trans	-58.1	-42.7	174.3	174.2	-98.9	0	0	0	111.8	A157 F158 K165	A157-Y161 WeakPolarHBondContact O-CB 3.37Å; A157-Y161 PolarHBondContact O-N 3.42Å; F158-Y161 PolarHBondContact O-N 3.3Å; Y161-K165 HydrophobicContact CE1-CD 4.11Å; Y161-K165 HydrophobicContact CE2-CD 4.35Å; Y161-K165 WeakPolarHBondContact O-CB 3.48Å; Y161-K165 PolarHBondContact O-N 3.16Å; Y161-K165 VanDerWaalsContact O-N 3.17Å; Y161-K165 WeakPolarHBondContact OH-CE 3.48Å; Y161-K165 PolarHBondContact OH-NZ 2.96Å
162	R	76.9	Confident	67.1	Low	123 Å²	123	106.2 Å²	106.2	46%	0.464	56%	0.556	S	S	.	*	H	α-helix	trans	-70.2	-39.9	178.1	-70.6	-80	-80.9	144.2	-4.9	112.2	F158 W159 V160 M166	F158-R162 HydrophobicContact CD1-CG 4.09Å; F158-R162 HydrophobicContact CE1-CG 3.79Å; F158-R162 HydrophobicContact CE2-CG 4.24Å; F158-R162 HydrophobicContact CG-CG 4.46Å; F158-R162 HydrophobicContact CZ-CG 3.87Å; F158-R162 WeakPolarHBondContact O-CB 3.29Å; F158-R162 WeakPolarHBondContact O-CG 3.37Å; F158-R162 PolarHBondContact O-N 2.91Å; W159-R162 CarbonylContact O-C 3.54Å; W159-R162 PolarHBondContact O-N 3.19Å; V160-R162 VanDerWaalsContact C-N 3.31Å; V160-R162 PolarHBondContact O-N 3.12Å; R162-M166 WeakPolarHBondContact O-CG 3.11Å; R162-M166 PolarHBondContact O-N 2.81Å
163	H	69.6	Low	64.2	Low	99 Å²	99	109.4 Å²	109.4	46%	0.458	57%	0.568	S	S	.	*	H	α-helix	trans	-74.4	-43	-179.6	-112.9	-85.2	0	0	0	112.6	W159 V160 K165 M166 A167	W159-H163 AromaticContact CD2-CD2 3.98Å; W159-H163 AromaticContact CE2-CD2 3.42Å; W159-H163 VanDerWaalsContact CE2-CD2 3.42Å; W159-H163 AromaticContact CE2-NE2 3.87Å; W159-H163 AromaticContact CH2-CD2 3.83Å; W159-H163 AromaticContact CZ2-CD2 3.35Å; W159-H163 WeakPolarHBondContact CZ2-CD2 3.49Å; W159-H163 AromaticContact CZ2-NE2 3.42Å; W159-H163 WeakPolarHBondContact CZ2-NE2 2.96Å; W159-H163 AromaticContact NE1-CD2 3.81Å; W159-H163 WeakPolarHBondContact O-CB 3.44Å; W159-H163 PolarHBondContact O-N 2.88Å; V160-H163 PolarHBondContact O-N 3.17Å; H163-K165 VanDerWaalsContact C-N 3.26Å; H163-K165 PolarHBondContact O-N 3.46Å; H163-M166 PolarHBondContact O-N 2.91Å; H163-M166 VanDerWaalsContact O-N 3.08Å; H163-A167 PolarHBondContact O-N 2.68Å
164	H	64	Low	61.1	Low	131 Å²	131	110.1 Å²	110.1	61%	0.606	58%	0.58	S	S	*	*	H	α-helix	trans	-64.4	-32	174.4	-89.4	-90.8	0	0	0	111.9	V160 M166 Y168	V160-H164 WeakPolarHBondContact O-CB 3.41Å; V160-H164 PolarHBondContact O-N 3Å; H164-M166 VanDerWaalsContact C-N 3.29Å; H164-M166 PolarHBondContact O-N 3.27Å; H164-Y168 VanDerWaalsContact O-CE2 3.27Å; H164-Y168 WeakPolarHBondContact O-CE2 3.38Å
165	K	52.4	Low	58.5	Low	122 Å²	122	111.2 Å²	111.2	53%	0.53	59%	0.587	S	S	.	*	H	α-helix	trans	-68.6	-21.9	172.1	-93.7	-168.1	166.9	-174.1	0	114.7	Y161 H163	Y161-K165 HydrophobicContact CE1-CD 4.11Å; Y161-K165 HydrophobicContact CE2-CD 4.35Å; Y161-K165 WeakPolarHBondContact O-CB 3.48Å; Y161-K165 PolarHBondContact O-N 3.16Å; Y161-K165 VanDerWaalsContact O-N 3.17Å; Y161-K165 WeakPolarHBondContact OH-CE 3.48Å; Y161-K165 PolarHBondContact OH-NZ 2.96Å; H163-K165 VanDerWaalsContact C-N 3.26Å; H163-K165 PolarHBondContact O-N 3.46Å
166	M	44.3	Very low	55.4	Low	138 Å²	138	114.9 Å²	114.9	68%	0.68	60%	0.601	S	S	*	*	H	α-helix	trans	-96.6	-15.2	-175.9	-77	-176.3	173.5	0	0	114.3	R162 H163 H164	R162-M166 WeakPolarHBondContact O-CG 3.11Å; R162-M166 PolarHBondContact O-N 2.81Å; H163-M166 PolarHBondContact O-N 2.91Å; H163-M166 VanDerWaalsContact O-N 3.08Å; H164-M166 VanDerWaalsContact C-N 3.29Å; H164-M166 PolarHBondContact O-N 3.27Å
167	A	38.4	Very low	52.6	Low	68 Å²	68	117.9 Å²	117.9	56%	0.562	61%	0.612	S	S	*	*			trans	-121.1	72.4	-173.5	0	0	0	0	0	111.9	H163 P169	H163-A167 PolarHBondContact O-N 2.68Å; A167-P169 WeakPolarHBondContact O-CD 3.18Å
168	Y	35	Very low	50.2	Low	131 Å²	131	121.7 Å²	121.7	51%	0.514	63%	0.632	S	S	.	*			trans	-104.5	108.6	165.7	-65.6	-76.9	0	0	0	109.8	H164	H164-Y168 VanDerWaalsContact O-CE2 3.27Å; H164-Y168 WeakPolarHBondContact O-CE2 3.38Å
169	P	36.2	Very low	47.7	Very low	102 Å²	102	118.3 Å²	118.3	66%	0.662	63%	0.632	S	S	*	*			trans	-68.3	148.8	160.7	-3.1	18	0	0	0	109.7	A167 V171	A167-P169 WeakPolarHBondContact O-CD 3.18Å; P169-V171 PolarHBondContact O-N 2.78Å
170	P	36.3	Very low	45.3	Very low	116 Å²	116	117 Å²	117	75%	0.753	64%	0.643	S	S	*	*			trans	-68.3	107.3	179.9	27.3	-31.9	0	0	0	110.1
171	V	32.7	Very low	43.1	Very low	82 Å²	82	119 Å²	119	50%	0.497	66%	0.657	S	S	.	*			trans	-91.6	110.7	169.6	179.9	0	0	0	0	108.1	P169 V173	P169-V171 PolarHBondContact O-N 2.78Å; V171-V173 HydrophobicContact CG1-CG2 3.86Å
172	L	32.9	Very low	41.2	Very low	162 Å²	162	117 Å²	117	85%	0.848	66%	0.66	S	S	*	*			trans	-80.6	109.8	166.3	-67.2	166.7	0	0	0	108.1
173	V	33	Very low	39.7	Very low	101 Å²	101	116.7 Å²	116.7	61%	0.612	67%	0.674	S	S	*	*			trans	-98.8	124.7	166.4	-175.4	0	0	0	0	108.5	V171 T175	V171-V173 HydrophobicContact CG1-CG2 3.86Å; V173-T175 PolarHBondContact O-N 3.08Å
174	P	30.2	Very low	38.1	Very low	121 Å²	121	115.1 Å²	115.1	79%	0.786	67%	0.674	S	S	*	*			trans	-71.5	110.7	175.7	-9.8	25	0	0	0	109.8	Q176	P174-Q176 PolarHBondContact O-N 3.41Å
175	T	39.1	Very low	37.1	Very low	114 Å²	114	114.6 Å²	114.6	70%	0.699	68%	0.683	S	S	*	*			trans	-84.3	109.2	165.5	50.5	0	0	0	0	108.6	V173 D177	V173-T175 PolarHBondContact O-N 3.08Å; T175-D177 VanDerWaalsContact C-N 3.35Å; T175-D177 PolarHBondContact O-N 3.38Å
176	Q	28.6	Very low	36.5	Very low	190 Å²	190	114.9 Å²	114.9	89%	0.888	69%	0.689	S	S	*	*			trans	-56.6	98.9	158.2	-80.3	170.3	-23.1	0	0	108.6	P174	P174-Q176 PolarHBondContact O-N 3.41Å
177	D	34.9	Very low	36.8	Very low	143 Å²	143	109.3 Å²	109.3	77%	0.765	66%	0.662	S	S	*	*			trans	-155.8	124.9	146	-94.6	-34.9	0	0	0	105.6	T175 G179	T175-D177 VanDerWaalsContact C-N 3.35Å; T175-D177 PolarHBondContact O-N 3.38Å; D177-G179 PolarHBondContact O-N 3.39Å
178	P	38.8	Very low	37.2	Very low	138 Å²	138	109.3 Å²	109.3	90%	0.896	67%	0.668	S	S	*	*			trans	-79.8	69.1	-175.7	33.4	-32.2	0	0	0	109.7
179	G	34.4	Very low	37.9	Very low	52 Å²	52	110.9 Å²	110.9	54%	0.536	69%	0.685	S	S	.	*	P	Polyproline II helix	trans	-83.5	150.1	155.6	0	0	0	0	0	109.5	D177	D177-G179 PolarHBondContact O-N 3.39Å
180	P	35.5	Very low	39.2	Very low	124 Å²	124	109.8 Å²	109.8	81%	0.805	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-56.2	142.6	175.7	23.1	-31	0	0	0	110
181	P	34	Very low	41.1	Very low	112 Å²	112	109.2 Å²	109.2	73%	0.727	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-58.5	144.3	-175.2	24.9	-33.2	0	0	0	110.1
182	P	37.7	Very low	43.5	Very low	88 Å²	88	106.2 Å²	106.2	57%	0.571	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-59.9	135.3	-177.4	24.3	-32.5	0	0	0	109.7	S184	P182-S184 PolarHBondContact O-N 3.17Å
183	P	44.9	Very low	46.2	Very low	116 Å²	116	104.2 Å²	104.2	75%	0.753	63%	0.633	S	S	*	*	S	Bend	trans	-75.3	76.2	173.4	30.5	-31.5	0	0	0	109
184	S	37.9	Very low	48.9	Very low	66 Å²	66	101.9 Å²	101.9	46%	0.462	62%	0.617	S	S	.	*			trans	-175.8	89.5	155.6	-81	0	0	0	0	111.3	P182 L186	P182-S184 PolarHBondContact O-N 3.17Å; S184-L186 PolarHBondContact O-N 2.82Å
185	P	41.4	Very low	51.8	Low	121 Å²	121	99.3 Å²	99.3	79%	0.786	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	3.2	171.4	-13.4	29.6	0	0	0	114.2
186	L	40.4	Very low	54.3	Low	128 Å²	128	97.6 Å²	97.6	67%	0.67	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-9.3	-167.2	-67.3	179.8	0	0	0	115.8	S184 K190	S184-L186 PolarHBondContact O-N 2.82Å; L186-K190 VanDerWaalsContact O-CD 3.3Å; L186-K190 WeakPolarHBondContact O-CD 3.35Å; L186-K190 WeakPolarHBondContact O-CE 3.15Å
187	L	50.1	Low	57.3	Low	21 Å²	21	91.2 Å²	91.2	11%	0.11	55%	0.554	C	S	.	*	S	Bend	trans	-90	-33.1	-179.3	-96.6	143.8	0	0	0	113.6	L189 K190 L211 I250 I266	L187-L189 PolarHBondContact O-N 3.3Å; L187-K190 PolarHBondContact O-N 2.78Å; L187-K190 VanDerWaalsContact O-N 3.07Å; L187-L211 HydrophobicContact CD2-CD1 4.4Å; L187-L211 HydrophobicContact CD2-CD2 4.11Å; L187-I250 HydrophobicContact CD1-CG2 4.3Å; L187-I250 WeakPolarHBondContact CD1-O 3.5Å; L187-I266 HydrophobicContact CD2-CD1 3.75Å
188	G	48.1	Very low	59.8	Low	67 Å²	67	89.1 Å²	89.1	69%	0.691	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-5.4	-171.4	0	0	0	0	0	116.9
189	L	49.2	Very low	62	Low	165 Å²	165	84.2 Å²	84.2	86%	0.864	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	-3.1	179.7	-67.3	171.2	0	0	0	114	L187	L187-L189 PolarHBondContact O-N 3.3Å
190	K	62.6	Low	64.4	Low	79 Å²	79	91.3 Å²	91.3	34%	0.343	52%	0.52	S	S	.	.	S	Bend	trans	-105.1	122.4	-169.3	-64.1	178.3	179.4	-177.7	0	110.6	L186 L187 L192 L211 L212	L186-K190 VanDerWaalsContact O-CD 3.3Å; L186-K190 WeakPolarHBondContact O-CD 3.35Å; L186-K190 WeakPolarHBondContact O-CE 3.15Å; L187-K190 PolarHBondContact O-N 2.78Å; L187-K190 VanDerWaalsContact O-N 3.07Å; K190-L192 PolarHBondContact O-N 2.83Å; K190-L211 HydrophobicContact CB-CD1 3.64Å; K190-L211 HydrophobicContact CD-CD1 4.4Å; K190-L212 HydrophobicContact CB-CD2 4.47Å; K190-L212 HydrophobicContact CB-CG 4.45Å; K190-L212 HydrophobicContact CD-CD1 3.68Å; K190-L212 HydrophobicContact CD-CG 4.21Å; K190-L212 HydrophobicContact CG-CD1 4.15Å; K190-L212 HydrophobicContact CG-CD2 4.41Å; K190-L212 HydrophobicContact CG-CG 4.35Å
191	P	76	Confident	66	Low	103 Å²	103	87.8 Å²	87.8	67%	0.669	51%	0.507	S	S	*	.			trans	-65.5	123.7	177.1	27.2	-32.5	0	0	0	109.3
192	L	84.6	Confident	67.8	Low	19 Å²	19	90.5 Å²	90.5	10%	0.099	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	116.4	176.1	-176.5	163.3	0	0	0	108.4	K190 L194 A209 Q210 L211 V216 V218 W264 I266	K190-L192 PolarHBondContact O-N 2.83Å; L192-L194 HydrophobicContact CD2-CD2 4.16Å; L192-A209 HydrophobicContact CD2-CB 3.91Å; L192-A209 HydrophobicContact CG-CB 4.43Å; L192-Q210 WeakPolarHBondContact CA-O 3.46Å; L192-L211 HydrophobicContact CB-CD1 4.06Å; L192-L211 HydrophobicContact CD1-CD1 4.46Å; L192-L211 HydrophobicContact CG-CD1 4.48Å; L192-V216 HydrophobicContact CD1-CG2 4.41Å; L192-V218 HydrophobicContact CD1-CG2 4.17Å; L192-V218 HydrophobicContact CD2-CG2 4.05Å; L192-W264 HydrophobicContact CD2-CE3 4.29Å; L192-W264 HydrophobicContact CD2-CZ3 3.55Å; L192-I266 HydrophobicContact CD1-CD1 3.59Å; L192-I266 HydrophobicContact CD1-CG1 4.1Å; L192-I266 HydrophobicContact CD1-CG2 4.3Å
193	Q	89	Confident	69.3	Low	120 Å²	120	87.1 Å²	87.1	56%	0.561	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.4	-176.5	-177.4	179.5	11.7	0	0	110.7	L195 A209 Q210	Q193-L195 HydrophobicContact CG-CD2 4.2Å; Q193-A209 CarbonylContact O-C 3.5Å; Q193-A209 WeakPolarHBondContact O-CA 3.02Å; Q193-A209 VanDerWaalsContact O-CB 3.28Å; Q193-A209 WeakPolarHBondContact O-CB 3.06Å; Q193-Q210 PolarHBondContact N-O 2.03Å; Q193-Q210 PolarHBondContact O-N 3.17Å
194	L	90.2	Very high	70.8	Confident	52 Å²	52	82.8 Å²	82.8	27%	0.272	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	130.8	171.1	-60.5	-177.3	0	0	0	110	L192 W207 A209 V218 I220 W264	L192-L194 HydrophobicContact CD2-CD2 4.16Å; L194-W207 HydrophobicContact CB-CD2 4.18Å; L194-W207 HydrophobicContact CB-CE3 3.73Å; L194-W207 HydrophobicContact CB-CZ3 4.14Å; L194-W207 HydrophobicContact CD1-CD2 4.07Å; L194-W207 HydrophobicContact CD1-CE3 4.36Å; L194-W207 HydrophobicContact CD1-CG 4.35Å; L194-W207 HydrophobicContact CD2-CB 3.85Å; L194-W207 HydrophobicContact CD2-CD2 4.43Å; L194-W207 HydrophobicContact CD2-CG 4.08Å; L194-W207 HydrophobicContact CG-CD2 4.47Å; L194-W207 HydrophobicContact CG-CE3 4.5Å; L194-A209 HydrophobicContact CD2-CB 3.99Å; L194-V218 HydrophobicContact CD2-CB 4.07Å; L194-V218 HydrophobicContact CD2-CG1 4.18Å; L194-V218 HydrophobicContact CD2-CG2 4.17Å; L194-I220 HydrophobicContact CD1-CD1 3.81Å; L194-I220 HydrophobicContact CD2-CD1 4.49Å; L194-W264 HydrophobicContact CD1-CH2 3.64Å; L194-W264 HydrophobicContact CD1-CZ2 4.17Å; L194-W264 HydrophobicContact CD1-CZ3 4.42Å; L194-W264 HydrophobicContact CD2-CH2 3.81Å; L194-W264 HydrophobicContact CD2-CZ3 3.73Å; L194-W264 HydrophobicContact CG-CH2 3.75Å; L194-W264 HydrophobicContact CG-CZ3 4.16Å
195	L	90.7	Very high	73.2	Confident	68 Å²	68	81.2 Å²	81.2	36%	0.356	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-66.1	-177.9	-58.1	177.3	0	0	0	111.6	Q193 K208 Q210 Y215	Q193-L195 HydrophobicContact CG-CD2 4.2Å; L195-K208 WeakPolarHBondContact CA-O 3.38Å; L195-K208 WeakPolarHBondContact CB-O 3.14Å; L195-K208 HydrophobicContact CD1-CG 4.49Å; L195-K208 PolarHBondContact N-O 3.42Å; L195-Q210 HydrophobicContact CD1-CB 4.11Å; L195-Q210 HydrophobicContact CD2-CB 4.43Å; L195-Q210 HydrophobicContact CG-CB 4.38Å; L195-Y215 HydrophobicContact CD1-CD1 3.84Å; L195-Y215 HydrophobicContact CD1-CE1 3.52Å
196	E	91.6	Very high	75.6	Confident	78 Å²	78	77.7 Å²	77.7	36%	0.364	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	145.9	-173.9	57.7	174.6	159.5	0	0	111.6	K198 W207 K208	E196-K198 HydrophobicContact CG-CD 4.28Å; E196-K198 PolarHBondContact O-N 3.4Å; E196-K198 WeakPolarHBondContact OE1-CE 3.45Å; E196-K198 IonicContact OE1-NZ 2.7Å; E196-K198 PolarHBondContact OE1-NZ 2.87Å; E196-K198 IonicContact OE2-NZ 3.2Å; E196-K198 PolarHBondContact OE2-NZ 2.88Å; E196-W207 CarbonylContact O-C 3.59Å; E196-W207 VanDerWaalsContact O-CA 3.29Å; E196-W207 WeakPolarHBondContact O-CA 3.07Å; E196-K208 HydrophobicContact CG-CB 3.72Å; E196-K208 HydrophobicContact CG-CD 4.22Å; E196-K208 PolarHBondContact N-O 2.84Å; E196-K208 PolarHBondContact O-N 2.81Å; E196-K208 WeakPolarHBondContact OE1-CD 3.03Å
197	V	91.3	Very high	78.1	Confident	56 Å²	56	74.6 Å²	74.6	34%	0.339	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	120.1	172.8	-179	0	0	0	0	108.3	R200 C205 W207	V197-R200 HydrophobicContact CG1-CG 4.11Å; V197-C205 HydrophobicContact CG1-CB 4.5Å; V197-W207 HydrophobicContact CG2-CD2 3.78Å; V197-W207 VanDerWaalsContact CG2-CE2 3.48Å; V197-W207 HydrophobicContact CG2-CE3 3.91Å; V197-W207 HydrophobicContact CG2-CH2 3.54Å; V197-W207 HydrophobicContact CG2-CZ2 3.37Å; V197-W207 HydrophobicContact CG2-CZ3 3.81Å
198	K	87.9	Confident	80.2	Confident	98 Å²	98	74.4 Å²	74.4	43%	0.426	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-34.1	176.8	-71.4	-57.6	-162.9	-168	0	113.3	E196 V206 K208 F269	E196-K198 HydrophobicContact CG-CD 4.28Å; E196-K198 PolarHBondContact O-N 3.4Å; E196-K198 WeakPolarHBondContact OE1-CE 3.45Å; E196-K198 IonicContact OE1-NZ 2.7Å; E196-K198 PolarHBondContact OE1-NZ 2.87Å; E196-K198 IonicContact OE2-NZ 3.2Å; E196-K198 PolarHBondContact OE2-NZ 2.88Å; K198-V206 PolarHBondContact N-O 3.48Å; K198-K208 HydrophobicContact CG-CB 4.02Å; K198-F269 HydrophobicContact CG-CE2 4.06Å; K198-F269 HydrophobicContact CG-CZ 4.44Å
199	A	85.4	Confident	82.4	Confident	35 Å²	35	71.2 Å²	71.2	29%	0.289	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	151.4	177.7	0	0	0	0	0	112.1	C205 V206	A199-C205 CarbonylContact O-C 3.54Å; A199-C205 WeakPolarHBondContact O-CA 3.36Å; A199-V206 HydrophobicContact CB-CB 4.22Å; A199-V206 HydrophobicContact CB-CG2 4.46Å; A199-V206 PolarHBondContact N-O 2.65Å; A199-V206 PolarHBondContact O-N 2.99Å
200	R	83.3	Confident	84.5	Confident	201 Å²	201	66.3 Å²	66.3	76%	0.758	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.3	164.6	-62.4	-178.1	-177.3	178.1	2	107.4	V197 C205	V197-R200 HydrophobicContact CG1-CG 4.11Å; R200-C205 HydrophobicContact CG-CB 4.36Å
201	G	69.4	Low	85.7	Confident	51 Å²	51	63.2 Å²	63.2	53%	0.526	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	-178.5	179.4	0	0	0	0	0	111.1	F203 G204	G201-F203 PolarHBondContact O-N 3.34Å; G201-G204 PolarHBondContact N-O 3.12Å; G201-G204 PolarHBondContact O-N 2.57Å; G201-G204 VanDerWaalsContact O-O 3.1Å
202	R	72.8	Confident	86.1	Confident	169 Å²	169	62.5 Å²	62.5	64%	0.638	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-32.2	-177.9	84.2	-179.5	-175.7	105.4	-15.9	113.4
203	F	68	Low	86.2	Confident	17 Å²	17	69.3 Å²	69.3	8%	0.075	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	5.9	-175	-57.4	-67.5	0	0	0	113.7	G201 F221 S228 L343	G201-F203 PolarHBondContact O-N 3.34Å; F203-F221 HydrophobicContact CB-CD1 3.89Å; F203-F221 HydrophobicContact CB-CE1 3.81Å; F203-F221 HydrophobicContact CG-CE1 4.49Å; F203-F221 VanDerWaalsContact O-CD1 3.26Å; F203-F221 WeakPolarHBondContact O-CD1 3.45Å; F203-S228 VanDerWaalsContact CE1-OG 3.26Å; F203-S228 WeakPolarHBondContact CE1-OG 3.48Å; F203-S228 WeakPolarHBondContact CZ-OG 3.21Å; F203-L343 HydrophobicContact CZ-CD2 4.44Å; F203-L343 HydrophobicContact CZ-CG 4.32Å
204	G	76.7	Confident	86.3	Confident	25 Å²	25	70.3 Å²	70.3	26%	0.258	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	129.2	-152.9	-177.9	0	0	0	0	0	114.1	G201 I220	G201-G204 PolarHBondContact N-O 3.12Å; G201-G204 PolarHBondContact O-N 2.57Å; G201-G204 VanDerWaalsContact O-O 3.1Å; G204-I220 WeakPolarHBondContact CA-O 3.47Å
205	C	88.2	Confident	86.5	Confident	33 Å²	33	73.8 Å²	73.8	22%	0.223	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	143	-174.6	59.5	0	0	0	0	112.2	V197 A199 R200 W207 K219 I220	V197-C205 HydrophobicContact CG1-CB 4.5Å; A199-C205 CarbonylContact O-C 3.54Å; A199-C205 WeakPolarHBondContact O-CA 3.36Å; R200-C205 HydrophobicContact CG-CB 4.36Å; C205-W207 PolarHBondContact SG-NE1 2.87Å; C205-K219 WeakPolarHBondContact O-CA 3.43Å; C205-I220 PolarHBondContact N-O 2.79Å; C205-I220 PolarHBondContact O-N 3.2Å
206	V	91.8	Very high	86.8	Confident	46 Å²	46	70.6 Å²	70.6	28%	0.279	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.9	176	-176.3	0	0	0	0	108.3	K198 A199 A217 V218 K219	K198-V206 PolarHBondContact N-O 3.48Å; A199-V206 HydrophobicContact CB-CB 4.22Å; A199-V206 HydrophobicContact CB-CG2 4.46Å; A199-V206 PolarHBondContact N-O 2.65Å; A199-V206 PolarHBondContact O-N 2.99Å; V206-A217 HydrophobicContact CG1-CB 4.38Å; V206-V218 CarbonylContact C-O 3.5Å; V206-V218 WeakPolarHBondContact CA-O 2.97Å; V206-K219 HydrophobicContact CG2-CB 4.22Å; V206-K219 HydrophobicContact CG2-CG 4.02Å
207	W	93.5	Very high	87	Confident	64 Å²	64	67.3 Å²	67.3	24%	0.242	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	142.7	177.4	-69.7	75.3	0	0	0	110.7	L194 E196 V197 C205 A217 V218 I220	L194-W207 HydrophobicContact CB-CD2 4.18Å; L194-W207 HydrophobicContact CB-CE3 3.73Å; L194-W207 HydrophobicContact CB-CZ3 4.14Å; L194-W207 HydrophobicContact CD1-CD2 4.07Å; L194-W207 HydrophobicContact CD1-CE3 4.36Å; L194-W207 HydrophobicContact CD1-CG 4.35Å; L194-W207 HydrophobicContact CD2-CB 3.85Å; L194-W207 HydrophobicContact CD2-CD2 4.43Å; L194-W207 HydrophobicContact CD2-CG 4.08Å; L194-W207 HydrophobicContact CG-CD2 4.47Å; L194-W207 HydrophobicContact CG-CE3 4.5Å; E196-W207 CarbonylContact O-C 3.59Å; E196-W207 VanDerWaalsContact O-CA 3.29Å; E196-W207 WeakPolarHBondContact O-CA 3.07Å; V197-W207 HydrophobicContact CG2-CD2 3.78Å; V197-W207 VanDerWaalsContact CG2-CE2 3.48Å; V197-W207 HydrophobicContact CG2-CE3 3.91Å; V197-W207 HydrophobicContact CG2-CH2 3.54Å; V197-W207 HydrophobicContact CG2-CZ2 3.37Å; V197-W207 HydrophobicContact CG2-CZ3 3.81Å; C205-W207 PolarHBondContact SG-NE1 2.87Å; W207-A217 CarbonylContact O-C 3.59Å; W207-A217 WeakPolarHBondContact O-CA 3.18Å; W207-V218 HydrophobicContact CB-CB 4.41Å; W207-V218 PolarHBondContact N-O 3.38Å; W207-V218 PolarHBondContact O-N 2.84Å; W207-I220 HydrophobicContact CG-CD1 4.48Å
208	K	94.9	Very high	87.2	Confident	16 Å²	16	64.7 Å²	64.7	7%	0.07	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	129.2	153.6	-173.8	-179.1	-171.7	164.7	0	107.1	L195 E196 K198 Y215 F269 E271	L195-K208 WeakPolarHBondContact CA-O 3.38Å; L195-K208 WeakPolarHBondContact CB-O 3.14Å; L195-K208 HydrophobicContact CD1-CG 4.49Å; L195-K208 PolarHBondContact N-O 3.42Å; E196-K208 HydrophobicContact CG-CB 3.72Å; E196-K208 HydrophobicContact CG-CD 4.22Å; E196-K208 PolarHBondContact N-O 2.84Å; E196-K208 PolarHBondContact O-N 2.81Å; E196-K208 WeakPolarHBondContact OE1-CD 3.03Å; K198-K208 HydrophobicContact CG-CB 4.02Å; K208-Y215 HydrophobicContact CD-CD1 4.47Å; K208-Y215 VanDerWaalsContact CE-CG 3.49Å; K208-Y215 HydrophobicContact CG-CD1 4.38Å; K208-F269 HydrophobicContact CB-CD2 4.42Å; K208-F269 HydrophobicContact CB-CE2 4.06Å; K208-F269 HydrophobicContact CB-CZ 4.19Å; K208-F269 HydrophobicContact CD-CD1 4.22Å; K208-F269 HydrophobicContact CD-CE1 3.59Å; K208-F269 HydrophobicContact CD-CE2 4.38Å; K208-F269 HydrophobicContact CD-CZ 3.7Å; K208-F269 HydrophobicContact CG-CD1 4.1Å; K208-F269 HydrophobicContact CG-CD2 4.26Å; K208-F269 HydrophobicContact CG-CE1 3.87Å; K208-F269 HydrophobicContact CG-CE2 4.08Å; K208-F269 HydrophobicContact CG-CG 4.3Å; K208-F269 HydrophobicContact CG-CZ 3.89Å; K208-E271 VanDerWaalsContact NZ-CD 3.33Å; K208-E271 IonicContact NZ-OE1 3.18Å; K208-E271 PolarHBondContact NZ-OE1 2.91Å; K208-E271 IonicContact NZ-OE2 2.83Å; K208-E271 PolarHBondContact NZ-OE2 2.73Å
209	A	94.3	Very high	87.5	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	159.8	178.8	0	0	0	0	0	110.3	L192 Q193 L194 Y215 V216 V218	L192-A209 HydrophobicContact CD2-CB 3.91Å; L192-A209 HydrophobicContact CG-CB 4.43Å; Q193-A209 CarbonylContact O-C 3.5Å; Q193-A209 WeakPolarHBondContact O-CA 3.02Å; Q193-A209 VanDerWaalsContact O-CB 3.28Å; Q193-A209 WeakPolarHBondContact O-CB 3.06Å; L194-A209 HydrophobicContact CD2-CB 3.99Å; A209-Y215 CarbonylContact O-C 3.54Å; A209-Y215 WeakPolarHBondContact O-CA 3.47Å; A209-V216 HydrophobicContact CB-CG2 3.93Å; A209-V216 PolarHBondContact N-O 2.72Å; A209-V216 PolarHBondContact O-N 2.01Å; A209-V218 HydrophobicContact CB-CB 4.49Å; A209-V218 HydrophobicContact CB-CG2 3.49Å; A209-V218 VanDerWaalsContact CB-CG2 3.49Å
210	Q	91.8	Very high	87.8	Confident	63 Å²	63	60.1 Å²	60.1	29%	0.294	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.5	173.5	-174.8	167.5	9	0	0	109.2	L192 Q193 L195 L212	L192-Q210 WeakPolarHBondContact CA-O 3.46Å; Q193-Q210 PolarHBondContact N-O 2.03Å; Q193-Q210 PolarHBondContact O-N 3.17Å; L195-Q210 HydrophobicContact CD1-CB 4.11Å; L195-Q210 HydrophobicContact CD2-CB 4.43Å; L195-Q210 HydrophobicContact CG-CB 4.38Å; Q210-L212 VanDerWaalsContact CG-O 3.25Å; Q210-L212 WeakPolarHBondContact CG-O 3.36Å; Q210-L212 PolarHBondContact NE2-O 3.45Å; Q210-L212 VanDerWaalsContact NE2-O 3.1Å
211	L	88.2	Confident	88.2	Confident	14 Å²	14	50.6 Å²	50.6	7%	0.073	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	104.3	171	-179.4	66.1	0	0	0	107.3	L187 K190 L192 N213 E214 V216 I250	L187-L211 HydrophobicContact CD2-CD1 4.4Å; L187-L211 HydrophobicContact CD2-CD2 4.11Å; K190-L211 HydrophobicContact CB-CD1 3.64Å; K190-L211 HydrophobicContact CD-CD1 4.4Å; L192-L211 HydrophobicContact CB-CD1 4.06Å; L192-L211 HydrophobicContact CD1-CD1 4.46Å; L192-L211 HydrophobicContact CG-CD1 4.48Å; L211-N213 PolarHBondContact O-N 2.75Å; L211-E214 PolarHBondContact N-O 3.05Å; L211-E214 PolarHBondContact O-N 3.05Å; L211-E214 VanDerWaalsContact O-N 3.1Å; L211-V216 HydrophobicContact CB-CG1 3.91Å; L211-V216 HydrophobicContact CB-CG2 3.95Å; L211-V216 HydrophobicContact CD2-CG1 4.25Å; L211-I250 HydrophobicContact CD2-CG2 4.32Å
212	L	84.4	Confident	89.1	Confident	88 Å²	88	50.2 Å²	50.2	46%	0.461	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	-116.5	-169.7	-54.3	173.2	0	0	0	111.5	K190 Q210	K190-L212 HydrophobicContact CB-CD2 4.47Å; K190-L212 HydrophobicContact CB-CG 4.45Å; K190-L212 HydrophobicContact CD-CD1 3.68Å; K190-L212 HydrophobicContact CD-CG 4.21Å; K190-L212 HydrophobicContact CG-CD1 4.15Å; K190-L212 HydrophobicContact CG-CD2 4.41Å; K190-L212 HydrophobicContact CG-CG 4.35Å; Q210-L212 VanDerWaalsContact CG-O 3.25Å; Q210-L212 WeakPolarHBondContact CG-O 3.36Å; Q210-L212 PolarHBondContact NE2-O 3.45Å; Q210-L212 VanDerWaalsContact NE2-O 3.1Å
213	N	86.2	Confident	89.8	Confident	161 Å²	161	45.4 Å²	45.4	86%	0.861	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	6.5	-179.5	-67.7	-11.4	0	0	0	113	L211	L211-N213 PolarHBondContact O-N 2.75Å
214	E	91.6	Very high	90.7	Very high	142 Å²	142	52 Å²	52	66%	0.664	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	142	-177.8	-64.3	-175.8	162.9	0	0	110.8	L211	L211-E214 PolarHBondContact N-O 3.05Å; L211-E214 PolarHBondContact O-N 3.05Å; L211-E214 VanDerWaalsContact O-N 3.1Å
215	Y	95.1	Very high	91.3	Very high	124 Å²	124	52.9 Å²	52.9	49%	0.486	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	132.5	168.6	-66.3	-57.3	0	0	0	109.9	L195 K208 A209 F269	L195-Y215 HydrophobicContact CD1-CD1 3.84Å; L195-Y215 HydrophobicContact CD1-CE1 3.52Å; K208-Y215 HydrophobicContact CD-CD1 4.47Å; K208-Y215 VanDerWaalsContact CE-CG 3.49Å; K208-Y215 HydrophobicContact CG-CD1 4.38Å; A209-Y215 CarbonylContact O-C 3.54Å; A209-Y215 WeakPolarHBondContact O-CA 3.47Å; Y215-F269 WeakPolarHBondContact O-CB 3.31Å
216	V	96.2	Very high	91.4	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.012	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	156.2	178.1	-58.1	0	0	0	0	110.3	L192 A209 L211 V218 I250 I266	L192-V216 HydrophobicContact CD1-CG2 4.41Å; A209-V216 HydrophobicContact CB-CG2 3.93Å; A209-V216 PolarHBondContact N-O 2.72Å; A209-V216 PolarHBondContact O-N 2.01Å; L211-V216 HydrophobicContact CB-CG1 3.91Å; L211-V216 HydrophobicContact CB-CG2 3.95Å; L211-V216 HydrophobicContact CD2-CG1 4.25Å; V216-V218 HydrophobicContact CG2-CG2 4.23Å; V216-I250 HydrophobicContact CB-CD1 4.12Å; V216-I250 HydrophobicContact CG1-CD1 3.52Å; V216-I266 HydrophobicContact CB-CG2 4.02Å; V216-I266 HydrophobicContact CG2-CG2 3.91Å
217	A	96.1	Very high	91.4	Very high	9 Å²	9	61 Å²	61	7%	0.074	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	135.1	173.5	0	0	0	0	0	108.8	V206 W207 I266 T267 F269	V206-A217 HydrophobicContact CG1-CB 4.38Å; W207-A217 CarbonylContact O-C 3.59Å; W207-A217 WeakPolarHBondContact O-CA 3.18Å; A217-I266 WeakPolarHBondContact O-CA 3.48Å; A217-T267 PolarHBondContact N-O 3.14Å; A217-T267 PolarHBondContact O-N 3.31Å; A217-F269 HydrophobicContact CB-CB 4.38Å; A217-F269 HydrophobicContact CB-CD2 4.15Å
218	V	94.9	Very high	91.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	108.3	179.4	-176.8	0	0	0	0	108.7	L192 L194 V206 W207 A209 V216 I220 W264 L265 I266	L192-V218 HydrophobicContact CD1-CG2 4.17Å; L192-V218 HydrophobicContact CD2-CG2 4.05Å; L194-V218 HydrophobicContact CD2-CB 4.07Å; L194-V218 HydrophobicContact CD2-CG1 4.18Å; L194-V218 HydrophobicContact CD2-CG2 4.17Å; V206-V218 CarbonylContact C-O 3.5Å; V206-V218 WeakPolarHBondContact CA-O 2.97Å; W207-V218 HydrophobicContact CB-CB 4.41Å; W207-V218 PolarHBondContact N-O 3.38Å; W207-V218 PolarHBondContact O-N 2.84Å; A209-V218 HydrophobicContact CB-CB 4.49Å; A209-V218 HydrophobicContact CB-CG2 3.49Å; A209-V218 VanDerWaalsContact CB-CG2 3.49Å; V216-V218 HydrophobicContact CG2-CG2 4.23Å; V218-I220 HydrophobicContact CG1-CD1 4.44Å; V218-I220 HydrophobicContact CG1-CG1 3.83Å; V218-W264 HydrophobicContact CG1-CB 4.42Å; V218-W264 HydrophobicContact CG1-CD2 3.87Å; V218-W264 HydrophobicContact CG1-CE3 3.32Å; V218-W264 HydrophobicContact CG1-CG 4.36Å; V218-W264 HydrophobicContact CG1-CZ3 3.79Å; V218-L265 WeakPolarHBondContact CA-O 3.08Å; V218-I266 HydrophobicContact CG2-CG1 4.47Å
219	K	94.8	Very high	91.3	Very high	22 Å²	22	58.1 Å²	58.1	10%	0.096	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	115.7	171.7	-169.6	176.6	176.6	-172.8	0	108	C205 V206 F221 E232 L265 D340	C205-K219 WeakPolarHBondContact O-CA 3.43Å; V206-K219 HydrophobicContact CG2-CB 4.22Å; V206-K219 HydrophobicContact CG2-CG 4.02Å; K219-F221 HydrophobicContact CB-CE2 3.91Å; K219-F221 HydrophobicContact CD-CE1 4.25Å; K219-F221 HydrophobicContact CD-CE2 3.58Å; K219-F221 HydrophobicContact CD-CZ 3.37Å; K219-F221 HydrophobicContact CG-CD2 4.11Å; K219-F221 HydrophobicContact CG-CE2 3.45Å; K219-F221 VanDerWaalsContact CG-CE2 3.45Å; K219-F221 HydrophobicContact CG-CZ 3.74Å; K219-E232 IonicContact NZ-OE1 3.48Å; K219-E232 IonicContact NZ-OE2 3.52Å; K219-E232 PolarHBondContact NZ-OE2 2.92Å; K219-L265 HydrophobicContact CB-CB 4.38Å; K219-L265 PolarHBondContact N-O 2.92Å; K219-L265 PolarHBondContact O-N 3.26Å; K219-D340 IonicContact NZ-OD1 3.62Å; K219-D340 PolarHBondContact NZ-OD1 3.25Å; K219-D340 IonicContact NZ-OD2 2.69Å; K219-D340 PolarHBondContact NZ-OD2 3.26Å
220	I	92.3	Very high	91.3	Very high	16 Å²	16	60.5 Å²	60.5	8%	0.082	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.1	-178.4	-52.6	176.7	0	0	0	108.3	L194 G204 C205 W207 V218 D262 W264	L194-I220 HydrophobicContact CD1-CD1 3.81Å; L194-I220 HydrophobicContact CD2-CD1 4.49Å; G204-I220 WeakPolarHBondContact CA-O 3.47Å; C205-I220 PolarHBondContact N-O 2.79Å; C205-I220 PolarHBondContact O-N 3.2Å; W207-I220 HydrophobicContact CG-CD1 4.48Å; V218-I220 HydrophobicContact CG1-CD1 4.44Å; V218-I220 HydrophobicContact CG1-CG1 3.83Å; I220-D262 HydrophobicContact CG2-CB 3.86Å; I220-W264 HydrophobicContact CD1-CH2 4.35Å; I220-W264 HydrophobicContact CD1-CZ2 3.92Å; I220-W264 HydrophobicContact CG1-CD2 4.28Å; I220-W264 HydrophobicContact CG1-CG 4.47Å
221	F	91.6	Very high	91.5	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.7	179.4	-60.1	-110.1	0	0	0	109.8	F203 K219 D225 W229 E232 L263 L265	F203-F221 HydrophobicContact CB-CD1 3.89Å; F203-F221 HydrophobicContact CB-CE1 3.81Å; F203-F221 HydrophobicContact CG-CE1 4.49Å; F203-F221 VanDerWaalsContact O-CD1 3.26Å; F203-F221 WeakPolarHBondContact O-CD1 3.45Å; K219-F221 HydrophobicContact CB-CE2 3.91Å; K219-F221 HydrophobicContact CD-CE1 4.25Å; K219-F221 HydrophobicContact CD-CE2 3.58Å; K219-F221 HydrophobicContact CD-CZ 3.37Å; K219-F221 HydrophobicContact CG-CD2 4.11Å; K219-F221 HydrophobicContact CG-CE2 3.45Å; K219-F221 VanDerWaalsContact CG-CE2 3.45Å; K219-F221 HydrophobicContact CG-CZ 3.74Å; F221-D225 HydrophobicContact CB-CB 4.47Å; F221-D225 HydrophobicContact CD1-CB 4.27Å; F221-W229 HydrophobicContact CB-CB 4.18Å; F221-W229 HydrophobicContact CD1-CB 4.04Å; F221-W229 HydrophobicContact CD2-CB 3.98Å; F221-W229 AromaticContact CD2-CD1 3.53Å; F221-W229 HydrophobicContact CD2-CG 4.15Å; F221-W229 HydrophobicContact CE1-CB 4.31Å; F221-W229 HydrophobicContact CE2-CB 4.25Å; F221-W229 AromaticContact CE2-CD1 3.75Å; F221-W229 HydrophobicContact CE2-CG 4.42Å; F221-W229 HydrophobicContact CG-CB 3.84Å; F221-W229 HydrophobicContact CG-CG 4.43Å; F221-W229 HydrophobicContact CZ-CB 4.38Å; F221-E232 WeakPolarHBondContact CZ-OE2 3.37Å; F221-L263 HydrophobicContact CB-CB 4.2Å; F221-L263 PolarHBondContact N-O 2.78Å; F221-L263 PolarHBondContact O-N 3.27Å; F221-L265 HydrophobicContact CE2-CB 3.95Å
222	P	88	Confident	91.8	Very high	44 Å²	44	59 Å²	59	29%	0.286	29%	0.287	S	S	.	.			trans	-71.1	157.3	169.3	36.7	-38.4	0	0	0	109.9	Q224 D225	P222-Q224 PolarHBondContact O-N 2.69Å; P222-Q224 VanDerWaalsContact O-N 3.08Å; P222-D225 WeakPolarHBondContact CD-OD2 3.39Å; P222-D225 HydrophobicContact CG-CB 4.22Å; P222-D225 VanDerWaalsContact CG-OD2 3.27Å; P222-D225 WeakPolarHBondContact CG-OD2 3.47Å; P222-D225 PolarHBondContact O-N 3.21Å
223	I	87	Confident	92.4	Very high	68 Å²	68	57.3 Å²	57.3	35%	0.349	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-59	-26.1	-175.9	-166.2	59.5	0	0	0	113.6	D225 K226 V261 L263	I223-D225 PolarHBondContact O-N 2.89Å; I223-K226 HydrophobicContact CD1-CB 4.44Å; I223-K226 HydrophobicContact CD1-CD 4.26Å; I223-K226 WeakPolarHBondContact O-CB 3.39Å; I223-K226 PolarHBondContact O-N 2.89Å; I223-V261 HydrophobicContact CD1-CB 4.42Å; I223-L263 HydrophobicContact CD1-CD1 4.22Å; I223-L263 HydrophobicContact CD1-CD2 4.46Å; I223-L263 HydrophobicContact CD1-CG 4.45Å
224	Q	87.3	Confident	92.9	Very high	155 Å²	155	53.2 Å²	53.2	72%	0.724	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-64.5	-29.3	175.7	-60.8	81.6	1.5	0	0	112.2	P222 K226	P222-Q224 PolarHBondContact O-N 2.69Å; P222-Q224 VanDerWaalsContact O-N 3.08Å; Q224-K226 VanDerWaalsContact C-N 3.31Å
225	D	88.7	Confident	93.1	Very high	43 Å²	43	46.5 Å²	46.5	23%	0.23	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-94.3	18.2	178.5	-67.8	-42.9	0	0	0	112.7	F221 P222 I223 Q227 S228 W229	F221-D225 HydrophobicContact CB-CB 4.47Å; F221-D225 HydrophobicContact CD1-CB 4.27Å; P222-D225 WeakPolarHBondContact CD-OD2 3.39Å; P222-D225 HydrophobicContact CG-CB 4.22Å; P222-D225 VanDerWaalsContact CG-OD2 3.27Å; P222-D225 WeakPolarHBondContact CG-OD2 3.47Å; P222-D225 PolarHBondContact O-N 3.21Å; I223-D225 PolarHBondContact O-N 2.89Å; D225-Q227 PolarHBondContact O-N 2.89Å; D225-Q227 VanDerWaalsContact O-N 3.09Å; D225-S228 PolarHBondContact O-N 3.06Å; D225-W229 PolarHBondContact O-N 3.33Å
226	K	91.2	Very high	93.2	Very high	104 Å²	104	41.2 Å²	41.2	45%	0.452	20%	0.199	S	C	.	.	H	α-helix	trans	-50.7	-37.4	-179.1	178.2	-178.5	175.7	-169.6	0	113.4	I223 Q224 S228 W229 Q230 L263	I223-K226 HydrophobicContact CD1-CB 4.44Å; I223-K226 HydrophobicContact CD1-CD 4.26Å; I223-K226 WeakPolarHBondContact O-CB 3.39Å; I223-K226 PolarHBondContact O-N 2.89Å; Q224-K226 VanDerWaalsContact C-N 3.31Å; K226-S228 VanDerWaalsContact C-N 3.33Å; K226-S228 PolarHBondContact O-N 3.14Å; K226-W229 PolarHBondContact O-N 3.26Å; K226-Q230 VanDerWaalsContact O-CB 3.26Å; K226-Q230 WeakPolarHBondContact O-CB 3.25Å; K226-Q230 PolarHBondContact O-N 3.43Å; K226-L263 HydrophobicContact CB-CD1 3.69Å; K226-L263 HydrophobicContact CG-CD1 3.83Å
227	Q	91.2	Very high	93.2	Very high	147 Å²	147	43.8 Å²	43.8	69%	0.687	22%	0.217	S	C	*	.	H	α-helix	trans	-64.1	-39.2	-179.8	-172	59.4	36.3	0	0	112	D225 N231	D225-Q227 PolarHBondContact O-N 2.89Å; D225-Q227 VanDerWaalsContact O-N 3.09Å; Q227-N231 WeakPolarHBondContact O-CB 3.46Å; Q227-N231 PolarHBondContact O-N 3.14Å
228	S	92	Very high	93.1	Very high	10 Å²	10	44.6 Å²	44.6	7%	0.07	22%	0.22	C	C	.	.	H	α-helix	trans	-70	-43.9	178.3	-172.7	0	0	0	0	111.3	F203 D225 K226 Q230 N231 E232 G342	F203-S228 VanDerWaalsContact CE1-OG 3.26Å; F203-S228 WeakPolarHBondContact CE1-OG 3.48Å; F203-S228 WeakPolarHBondContact CZ-OG 3.21Å; D225-S228 PolarHBondContact O-N 3.06Å; K226-S228 VanDerWaalsContact C-N 3.33Å; K226-S228 PolarHBondContact O-N 3.14Å; S228-Q230 VanDerWaalsContact C-N 3.35Å; S228-Q230 PolarHBondContact O-N 3.07Å; S228-N231 PolarHBondContact O-N 3.46Å; S228-E232 WeakPolarHBondContact O-CB 3.49Å; S228-E232 PolarHBondContact O-N 3.2Å; S228-G342 WeakPolarHBondContact OG-CA 3.35Å; S228-G342 PolarHBondContact OG-O 3.49Å
229	W	94	Very high	93.1	Very high	9 Å²	9	46.4 Å²	46.4	3%	0.034	23%	0.232	C	C	.	.	H	α-helix	trans	-59.1	-45.1	173.7	174.9	87	0	0	0	111.9	F221 D225 K226 E232 Y233 A252 K254 L263 W264	F221-W229 HydrophobicContact CB-CB 4.18Å; F221-W229 HydrophobicContact CD1-CB 4.04Å; F221-W229 HydrophobicContact CD2-CB 3.98Å; F221-W229 AromaticContact CD2-CD1 3.53Å; F221-W229 HydrophobicContact CD2-CG 4.15Å; F221-W229 HydrophobicContact CE1-CB 4.31Å; F221-W229 HydrophobicContact CE2-CB 4.25Å; F221-W229 AromaticContact CE2-CD1 3.75Å; F221-W229 HydrophobicContact CE2-CG 4.42Å; F221-W229 HydrophobicContact CG-CB 3.84Å; F221-W229 HydrophobicContact CG-CG 4.43Å; F221-W229 HydrophobicContact CZ-CB 4.38Å; D225-W229 PolarHBondContact O-N 3.33Å; K226-W229 PolarHBondContact O-N 3.26Å; W229-E232 PolarHBondContact O-N 3.06Å; W229-Y233 VanDerWaalsContact O-CB 3.27Å; W229-Y233 WeakPolarHBondContact O-CB 3.48Å; W229-Y233 PolarHBondContact O-N 2.92Å; W229-A252 HydrophobicContact CZ2-CB 3.72Å; W229-K254 HydrophobicContact CH2-CG 4.3Å; W229-K254 HydrophobicContact CZ2-CG 4.48Å; W229-L263 HydrophobicContact CB-CB 4.26Å; W229-L263 HydrophobicContact CB-CD1 4.11Å; W229-L263 HydrophobicContact CD2-CB 3.8Å; W229-L263 HydrophobicContact CD2-CD1 4.12Å; W229-L263 HydrophobicContact CD2-CG 4.39Å; W229-L263 HydrophobicContact CE3-CB 4.49Å; W229-L263 HydrophobicContact CE3-CD1 4.13Å; W229-L263 HydrophobicContact CE3-CD2 4.49Å; W229-L263 HydrophobicContact CG-CB 3.65Å; W229-L263 HydrophobicContact CG-CD1 4.13Å; W229-L263 HydrophobicContact CG-CG 4.5Å; W229-W264 PolarHBondContact NE1-O 3.27Å
230	Q	95.2	Very high	93.1	Very high	50 Å²	50	46.2 Å²	46.2	23%	0.234	24%	0.236	C	C	.	.	H	α-helix	trans	-63.5	-44.4	179.8	-176.6	67.2	37.9	0	0	111.1	K226 S228 Y233 E234	K226-Q230 VanDerWaalsContact O-CB 3.26Å; K226-Q230 WeakPolarHBondContact O-CB 3.25Å; K226-Q230 PolarHBondContact O-N 3.43Å; S228-Q230 VanDerWaalsContact C-N 3.35Å; S228-Q230 PolarHBondContact O-N 3.07Å; Q230-Y233 PolarHBondContact O-N 3.36Å; Q230-E234 WeakPolarHBondContact CG-OE1 3.38Å; Q230-E234 PolarHBondContact NE2-OE1 3.34Å; Q230-E234 WeakPolarHBondContact O-CB 3.46Å; Q230-E234 WeakPolarHBondContact O-CG 3.22Å; Q230-E234 PolarHBondContact O-N 2.99Å
231	N	95	Very high	93.2	Very high	39 Å²	39	45.9 Å²	45.9	21%	0.209	23%	0.234	C	C	.	.	H	α-helix	trans	-61.4	-47.9	177.8	-166.9	71.4	0	0	0	111.7	Q227 S228 Y233 E234 V235 F341 A344	Q227-N231 WeakPolarHBondContact O-CB 3.46Å; Q227-N231 PolarHBondContact O-N 3.14Å; S228-N231 PolarHBondContact O-N 3.46Å; N231-Y233 PolarHBondContact O-N 3.3Å; N231-E234 PolarHBondContact O-N 3.23Å; N231-V235 WeakPolarHBondContact O-CB 3.48Å; N231-V235 WeakPolarHBondContact O-CG2 3.38Å; N231-V235 PolarHBondContact O-N 3.1Å; N231-F341 PolarHBondContact ND2-O 3.1Å; N231-A344 PolarHBondContact ND2-N 3.26Å; N231-A344 PolarHBondContact ND2-O 2.78Å; N231-A344 PolarHBondContact OD1-O 3.1Å
232	E	95.9	Very high	93.4	Very high	5 Å²	5	55.6 Å²	55.6	2%	0.023	28%	0.276	C	S	.	.	H	α-helix	trans	-63.6	-43.3	179.4	-171	165.6	-173.6	0	0	111.3	K219 F221 S228 W229 V235 Y236 L265 D340 F341	K219-E232 IonicContact NZ-OE1 3.48Å; K219-E232 IonicContact NZ-OE2 3.52Å; K219-E232 PolarHBondContact NZ-OE2 2.92Å; F221-E232 WeakPolarHBondContact CZ-OE2 3.37Å; S228-E232 WeakPolarHBondContact O-CB 3.49Å; S228-E232 PolarHBondContact O-N 3.2Å; W229-E232 PolarHBondContact O-N 3.06Å; E232-V235 PolarHBondContact O-N 3.13Å; E232-Y236 HydrophobicContact CG-CD2 3.76Å; E232-Y236 HydrophobicContact CG-CE2 3.48Å; E232-Y236 VanDerWaalsContact CG-CE2 3.48Å; E232-Y236 WeakPolarHBondContact O-CD2 3.28Å; E232-Y236 PolarHBondContact O-N 3.44Å; E232-Y236 WeakPolarHBondContact OE1-CE2 3.14Å; E232-L265 HydrophobicContact CB-CD2 4.33Å; E232-L265 HydrophobicContact CG-CD2 3.52Å; E232-L265 WeakPolarHBondContact OE1-CD2 3.32Å; E232-D340 WeakPolarHBondContact OE1-CA 3.43Å; E232-F341 HydrophobicContact CB-CB 4.49Å; E232-F341 HydrophobicContact CG-CB 4.05Å; E232-F341 PolarHBondContact OE1-N 2.88Å
233	Y	96.4	Very high	93.8	Very high	54 Å²	54	55.8 Å²	55.8	21%	0.212	27%	0.274	C	S	.	.	H	α-helix	trans	-60	-46.9	174.3	171.6	-109.7	0	0	0	112.6	W229 Q230 N231 Y236 S237 F249 A252	W229-Y233 VanDerWaalsContact O-CB 3.27Å; W229-Y233 WeakPolarHBondContact O-CB 3.48Å; W229-Y233 PolarHBondContact O-N 2.92Å; Q230-Y233 PolarHBondContact O-N 3.36Å; N231-Y233 PolarHBondContact O-N 3.3Å; Y233-Y236 PolarHBondContact O-N 2.92Å; Y233-S237 WeakPolarHBondContact CE2-OG 3.41Å; Y233-S237 VanDerWaalsContact O-CB 3.25Å; Y233-S237 WeakPolarHBondContact O-CB 3.36Å; Y233-S237 PolarHBondContact O-N 3.46Å; Y233-S237 PolarHBondContact O-OG 3.24Å; Y233-F249 HydrophobicContact CD2-CE1 4.31Å; Y233-F249 HydrophobicContact CD2-CE2 4.41Å; Y233-F249 AromaticContact CD2-CZ 3.65Å; Y233-F249 HydrophobicContact CD2-CZ 3.65Å; Y233-F249 HydrophobicContact CE2-CE1 4.25Å; Y233-F249 AromaticContact CE2-CZ 3.85Å; Y233-F249 HydrophobicContact CE2-CZ 3.85Å; Y233-A252 HydrophobicContact CD2-CB 3.51Å; Y233-A252 HydrophobicContact CE2-CB 3.87Å; Y233-A252 HydrophobicContact CG-CB 4.34Å
234	E	96	Very high	94.3	Very high	74 Å²	74	57.6 Å²	57.6	35%	0.346	28%	0.281	S	S	.	.	H	α-helix	trans	-63	-44.9	179.2	-79.4	-178.3	-157.9	0	0	111.7	Q230 N231 S237 L238 K346	Q230-E234 WeakPolarHBondContact CG-OE1 3.38Å; Q230-E234 PolarHBondContact NE2-OE1 3.34Å; Q230-E234 WeakPolarHBondContact O-CB 3.46Å; Q230-E234 WeakPolarHBondContact O-CG 3.22Å; Q230-E234 PolarHBondContact O-N 2.99Å; N231-E234 PolarHBondContact O-N 3.23Å; E234-S237 PolarHBondContact O-N 2.94Å; E234-L238 PolarHBondContact O-N 2.89Å; E234-K346 IonicContact OE2-NZ 3.61Å
235	V	97.1	Very high	94.9	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.012	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-50.3	178.2	168.9	0	0	0	0	110.4	N231 E232 S237 L238 M241 I318 F341 A344	N231-V235 WeakPolarHBondContact O-CB 3.48Å; N231-V235 WeakPolarHBondContact O-CG2 3.38Å; N231-V235 PolarHBondContact O-N 3.1Å; E232-V235 PolarHBondContact O-N 3.13Å; V235-S237 PolarHBondContact O-N 3.02Å; V235-L238 WeakPolarHBondContact O-CB 3.36Å; V235-L238 PolarHBondContact O-N 3.36Å; V235-M241 HydrophobicContact CG1-CE 3.75Å; V235-M241 VanDerWaalsContact O-CG 3.3Å; V235-M241 WeakPolarHBondContact O-CG 3.27Å; V235-I318 HydrophobicContact CG1-CD1 4.27Å; V235-I318 HydrophobicContact CG1-CG2 4.48Å; V235-F341 HydrophobicContact CB-CB 4Å; V235-F341 HydrophobicContact CB-CG 4.47Å; V235-F341 HydrophobicContact CG1-CB 3.74Å; V235-F341 HydrophobicContact CG1-CD1 3.74Å; V235-F341 HydrophobicContact CG1-CD2 4.44Å; V235-F341 HydrophobicContact CG1-CE1 4.5Å; V235-F341 HydrophobicContact CG1-CG 3.7Å; V235-A344 HydrophobicContact CG2-CB 4.14Å
236	Y	97.1	Very high	95.4	Very high	13 Å²	13	48.4 Å²	48.4	5%	0.051	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-27.1	176.7	-80.1	-57.1	0	0	0	114	E232 Y233 L238 I246 L247 F249 L265 T267 F341	E232-Y236 HydrophobicContact CG-CD2 3.76Å; E232-Y236 HydrophobicContact CG-CE2 3.48Å; E232-Y236 VanDerWaalsContact CG-CE2 3.48Å; E232-Y236 WeakPolarHBondContact O-CD2 3.28Å; E232-Y236 PolarHBondContact O-N 3.44Å; E232-Y236 WeakPolarHBondContact OE1-CE2 3.14Å; Y233-Y236 PolarHBondContact O-N 2.92Å; Y236-L238 VanDerWaalsContact C-N 3.34Å; Y236-I246 HydrophobicContact CE1-CG2 4.29Å; Y236-L247 VanDerWaalsContact CE1-O 3.23Å; Y236-L247 WeakPolarHBondContact CE1-O 3.38Å; Y236-F249 HydrophobicContact CD1-CB 3.67Å; Y236-F249 HydrophobicContact CD1-CG 4.4Å; Y236-F249 HydrophobicContact CD2-CB 4.35Å; Y236-F249 AromaticContact CD2-CD2 3.99Å; Y236-F249 HydrophobicContact CD2-CD2 3.99Å; Y236-F249 HydrophobicContact CD2-CG 4.33Å; Y236-F249 HydrophobicContact CE1-CB 4.34Å; Y236-F249 HydrophobicContact CG-CB 3.68Å; Y236-F249 HydrophobicContact CG-CD2 4.04Å; Y236-F249 AromaticContact CG-CG 3.9Å; Y236-F249 HydrophobicContact CG-CG 3.9Å; Y236-L265 HydrophobicContact CD2-CD2 4.3Å; Y236-L265 HydrophobicContact CE2-CD2 3.97Å; Y236-T267 HydrophobicContact CE2-CG2 4.37Å; Y236-F341 HydrophobicContact CD1-CD2 4.16Å; Y236-F341 HydrophobicContact CD1-CE2 4.18Å; Y236-F341 HydrophobicContact CD2-CD2 4.37Å; Y236-F341 AromaticContact CE1-CD2 3.55Å; Y236-F341 HydrophobicContact CE1-CD2 3.55Å; Y236-F341 AromaticContact CE1-CE2 3.37Å; Y236-F341 HydrophobicContact CE1-CE2 3.37Å; Y236-F341 AromaticContact CE2-CD2 3.77Å; Y236-F341 HydrophobicContact CE2-CD2 3.77Å; Y236-F341 HydrophobicContact CE2-CE2 4.39Å; Y236-F341 AromaticContact CZ-CD2 3.32Å; Y236-F341 AromaticContact CZ-CE2 3.51Å; Y236-F341 WeakPolarHBondContact OH-CD2 3.37Å; Y236-F341 WeakPolarHBondContact OH-CE2 3.35Å
237	S	95.5	Very high	95.7	Very high	55 Å²	55	43.9 Å²	43.9	39%	0.385	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-3.8	-178.9	-58.6	0	0	0	0	113.8	Y233 E234 V235	Y233-S237 WeakPolarHBondContact CE2-OG 3.41Å; Y233-S237 VanDerWaalsContact O-CB 3.25Å; Y233-S237 WeakPolarHBondContact O-CB 3.36Å; Y233-S237 PolarHBondContact O-N 3.46Å; Y233-S237 PolarHBondContact O-OG 3.24Å; E234-S237 PolarHBondContact O-N 2.94Å; V235-S237 PolarHBondContact O-N 3.02Å
238	L	95.1	Very high	96	Very high	26 Å²	26	43.1 Å²	43.1	14%	0.136	21%	0.213	C	C	.	.	S	Bend	trans	-65.8	147.9	176.9	-69.9	168.3	0	0	0	111.6	E234 V235 Y236 M241 P316 I318 K346	E234-L238 PolarHBondContact O-N 2.89Å; V235-L238 WeakPolarHBondContact O-CB 3.36Å; V235-L238 PolarHBondContact O-N 3.36Å; Y236-L238 VanDerWaalsContact C-N 3.34Å; L238-M241 HydrophobicContact CB-CG 3.71Å; L238-M241 WeakPolarHBondContact O-CB 3.47Å; L238-M241 PolarHBondContact O-N 3.15Å; L238-P316 HydrophobicContact CD1-CG 4.06Å; L238-I318 HydrophobicContact CD1-CD1 3.76Å; L238-I318 HydrophobicContact CD1-CG1 4.37Å; L238-K346 HydrophobicContact CD1-CB 4.35Å; L238-K346 HydrophobicContact CD1-CD 4.38Å; L238-K346 HydrophobicContact CD2-CD 4.44Å
239	P	94.2	Very high	96.2	Very high	38 Å²	38	45 Å²	45	25%	0.247	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	141.9	169.1	-26.1	35.7	0	0	0	111.7	M241 D312 K315	P239-M241 VanDerWaalsContact C-N 3.26Å; P239-M241 PolarHBondContact O-N 2.92Å; P239-D312 WeakPolarHBondContact CB-O 3.26Å; P239-D312 VanDerWaalsContact CG-O 3.31Å; P239-D312 WeakPolarHBondContact CG-O 3.21Å; P239-K315 VanDerWaalsContact O-CB 3.22Å; P239-K315 WeakPolarHBondContact O-CB 3.41Å; P239-K315 WeakPolarHBondContact O-CG 3.24Å
240	G	93.9	Very high	96.3	Very high	18 Å²	18	46.6 Å²	46.6	19%	0.186	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	-5.8	178.8	0	0	0	0	0	115.8	K242 Y302	G240-K242 PolarHBondContact O-N 3.21Å; G240-Y302 VanDerWaalsContact O-CE1 3.23Å; G240-Y302 WeakPolarHBondContact O-CE1 3.48Å; G240-Y302 PolarHBondContact O-OH 2.86Å
241	M	95.3	Very high	96.2	Very high	10 Å²	10	44.5 Å²	44.5	5%	0.049	22%	0.221	C	C	.	.			trans	-71.3	-3	-175.4	-74.5	-66.7	-64.2	0	0	116	V235 L238 P239 H243 I246 L303 I318 F341	V235-M241 HydrophobicContact CG1-CE 3.75Å; V235-M241 VanDerWaalsContact O-CG 3.3Å; V235-M241 WeakPolarHBondContact O-CG 3.27Å; L238-M241 HydrophobicContact CB-CG 3.71Å; L238-M241 WeakPolarHBondContact O-CB 3.47Å; L238-M241 PolarHBondContact O-N 3.15Å; P239-M241 VanDerWaalsContact C-N 3.26Å; P239-M241 PolarHBondContact O-N 2.92Å; M241-H243 PolarHBondContact O-N 2.93Å; M241-I246 HydrophobicContact CE-CD1 4.08Å; M241-I246 HydrophobicContact CE-CG2 4.31Å; M241-I246 HydrophobicContact SD-CD1 4.36Å; M241-L303 HydrophobicContact CE-CD2 3.78Å; M241-L303 HydrophobicContact SD-CD2 4.2Å; M241-I318 HydrophobicContact CE-CD1 4.11Å; M241-I318 HydrophobicContact SD-CD1 3.46Å; M241-I318 WeakPolarHBondContact SD-CD1 3.46Å; M241-F341 HydrophobicContact CE-CZ 4.45Å
242	K	95.1	Very high	96.1	Very high	203 Å²	203	44 Å²	44	88%	0.883	22%	0.222	S	C	*	.			trans	-80.3	103.9	170.7	-67.2	179.9	-178.1	173.1	0	109.8	G240	G240-K242 PolarHBondContact O-N 3.21Å
243	H	97.2	Very high	95.8	Very high	49 Å²	49	45.6 Å²	45.6	23%	0.227	23%	0.23	C	C	.	.			trans	-141.1	150.9	178.9	-176.7	-101.6	0	0	0	110.7	M241 N245 I246 Y302	M241-H243 PolarHBondContact O-N 2.93Å; H243-N245 PolarHBondContact CE1-OD1 3.2Å; H243-N245 PolarHBondContact ND1-N 2.85Å; H243-N245 VanDerWaalsContact ND1-N 3.11Å; H243-N245 PolarHBondContact O-N 2.81Å; H243-I246 HydrophobicContact CB-CB 4.21Å; H243-I246 HydrophobicContact CB-CD1 4.06Å; H243-I246 HydrophobicContact CB-CG1 4.14Å; H243-I246 PolarHBondContact O-N 2.92Å; H243-I246 VanDerWaalsContact O-O 3.07Å; H243-Y302 HydrophobicContact CB-CD1 3.69Å; H243-Y302 HydrophobicContact CB-CE1 3.72Å; H243-Y302 HydrophobicContact CB-CG 4.27Å; H243-Y302 AromaticContact CD2-CD1 4Å; H243-Y302 AromaticContact CD2-CD2 3.67Å; H243-Y302 AromaticContact CD2-CE2 3.96Å; H243-Y302 AromaticContact CD2-CG 3.68Å; H243-Y302 AromaticContact CG-CD1 3.72Å; H243-Y302 AromaticContact CG-CG 3.78Å
244	E	98	Very high	95.4	Very high	106 Å²	106	48.1 Å²	48.1	50%	0.495	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-36	-176.9	-172.7	-178.9	174.8	0	0	112.4	K331 T335	E244-K331 VanDerWaalsContact CG-NZ 3.3Å; E244-K331 WeakPolarHBondContact O-CE 3.48Å; E244-K331 PolarHBondContact O-NZ 3.07Å; E244-T335 HydrophobicContact CG-CG2 4.3Å
245	N	98.8	Very high	94.7	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	18.5	-177	-53.4	117.3	0	0	0	113.6	H243 T295 R298 G299 T335 A336 C337 I338	H243-N245 PolarHBondContact CE1-OD1 3.2Å; H243-N245 PolarHBondContact ND1-N 2.85Å; H243-N245 VanDerWaalsContact ND1-N 3.11Å; H243-N245 PolarHBondContact O-N 2.81Å; N245-T295 WeakPolarHBondContact CB-O 3.5Å; N245-T295 WeakPolarHBondContact ND2-CB 3.48Å; N245-T295 PolarHBondContact ND2-O 3.05Å; N245-R298 PolarHBondContact OD1-NH1 3.41Å; N245-R298 VanDerWaalsContact OD1-NH1 3.13Å; N245-G299 VanDerWaalsContact CB-CA 3.44Å; N245-T335 VanDerWaalsContact ND2-CG2 3.29Å; N245-T335 WeakPolarHBondContact ND2-CG2 3.35Å; N245-A336 WeakPolarHBondContact CA-O 3.4Å; N245-A336 PolarHBondContact ND2-O 2.97Å; N245-C337 VanDerWaalsContact O-CA 3.31Å; N245-C337 WeakPolarHBondContact O-CA 3.45Å; N245-I338 PolarHBondContact O-N 2.69Å
246	I	98.6	Very high	93.6	Very high	5 Å²	5	48 Å²	48	3%	0.026	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-117.9	138.3	166.6	-67.3	177.5	0	0	0	107.2	Y236 M241 H243 Q248 Y302 L303 F341	Y236-I246 HydrophobicContact CE1-CG2 4.29Å; M241-I246 HydrophobicContact CE-CD1 4.08Å; M241-I246 HydrophobicContact CE-CG2 4.31Å; M241-I246 HydrophobicContact SD-CD1 4.36Å; H243-I246 HydrophobicContact CB-CB 4.21Å; H243-I246 HydrophobicContact CB-CD1 4.06Å; H243-I246 HydrophobicContact CB-CG1 4.14Å; H243-I246 PolarHBondContact O-N 2.92Å; H243-I246 VanDerWaalsContact O-O 3.07Å; I246-Q248 PolarHBondContact O-N 3.15Å; I246-Y302 HydrophobicContact CD1-CD1 3.63Å; I246-Y302 HydrophobicContact CD1-CE1 4.21Å; I246-L303 HydrophobicContact CD1-CD2 3.5Å; I246-L303 VanDerWaalsContact CD1-CD2 3.5Å; I246-L303 HydrophobicContact CD1-CG 3.87Å; I246-L303 HydrophobicContact CG1-CD2 4.3Å; I246-L303 HydrophobicContact CG1-CG 4.36Å; I246-F341 HydrophobicContact CG2-CE2 4.03Å; I246-F341 HydrophobicContact CG2-CZ 3.89Å
247	L	98.4	Very high	92.2	Very high	9 Å²	9	51.6 Å²	51.6	5%	0.047	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-58	128.5	-179.7	-179.1	60.9	0	0	0	110.4	Y236 F249 T267 A268 L329 I338 A339	Y236-L247 VanDerWaalsContact CE1-O 3.23Å; Y236-L247 WeakPolarHBondContact CE1-O 3.38Å; L247-F249 PolarHBondContact O-N 3.26Å; L247-F249 VanDerWaalsContact O-N 3.15Å; L247-T267 HydrophobicContact CD2-CG2 4Å; L247-T267 HydrophobicContact CG-CG2 4.35Å; L247-A268 HydrophobicContact CD1-CB 4.39Å; L247-L329 HydrophobicContact CD1-CD1 3.91Å; L247-L329 HydrophobicContact CD2-CD1 3.8Å; L247-L329 HydrophobicContact CG-CD1 4.41Å; L247-I338 WeakPolarHBondContact CB-O 3.44Å; L247-I338 PolarHBondContact N-O 3.4Å; L247-A339 HydrophobicContact CB-CB 3.94Å; L247-A339 HydrophobicContact CD2-CB 3.59Å; L247-A339 HydrophobicContact CG-CB 4.38Å
248	Q	97.8	Very high	90.8	Very high	131 Å²	131	54.5 Å²	54.5	61%	0.612	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-68.5	116.1	-177.1	180	-177.9	10.8	0	0	110.8	I246 T267 A268	I246-Q248 PolarHBondContact O-N 3.15Å; Q248-T267 CarbonylContact O-C 3.33Å; Q248-T267 VanDerWaalsContact O-CA 3.23Å; Q248-T267 WeakPolarHBondContact O-CA 3.42Å; Q248-T267 WeakPolarHBondContact O-CB 3.38Å; Q248-A268 HydrophobicContact CB-CB 3.86Å; Q248-A268 PolarHBondContact O-N 2.83Å
249	F	96.8	Very high	89.5	Confident	50 Å²	50	58.8 Å²	58.8	22%	0.219	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	133.5	169.2	179.7	-119.5	0	0	0	111.4	Y233 Y236 L247 G251 A252 L265 T267	Y233-F249 HydrophobicContact CD2-CE1 4.31Å; Y233-F249 HydrophobicContact CD2-CE2 4.41Å; Y233-F249 AromaticContact CD2-CZ 3.65Å; Y233-F249 HydrophobicContact CD2-CZ 3.65Å; Y233-F249 HydrophobicContact CE2-CE1 4.25Å; Y233-F249 AromaticContact CE2-CZ 3.85Å; Y233-F249 HydrophobicContact CE2-CZ 3.85Å; Y236-F249 HydrophobicContact CD1-CB 3.67Å; Y236-F249 HydrophobicContact CD1-CG 4.4Å; Y236-F249 HydrophobicContact CD2-CB 4.35Å; Y236-F249 AromaticContact CD2-CD2 3.99Å; Y236-F249 HydrophobicContact CD2-CD2 3.99Å; Y236-F249 HydrophobicContact CD2-CG 4.33Å; Y236-F249 HydrophobicContact CE1-CB 4.34Å; Y236-F249 HydrophobicContact CG-CB 3.68Å; Y236-F249 HydrophobicContact CG-CD2 4.04Å; Y236-F249 AromaticContact CG-CG 3.9Å; Y236-F249 HydrophobicContact CG-CG 3.9Å; L247-F249 PolarHBondContact O-N 3.26Å; L247-F249 VanDerWaalsContact O-N 3.15Å; F249-G251 WeakPolarHBondContact CE2-O 3.27Å; F249-A252 HydrophobicContact CE2-CB 4.27Å; F249-A252 HydrophobicContact CZ-CB 4.04Å; F249-L265 HydrophobicContact CD2-CD1 4.24Å; F249-L265 HydrophobicContact CE2-CD1 3.59Å; F249-L265 HydrophobicContact CE2-CG 4.2Å; F249-L265 HydrophobicContact CZ-CD1 4.48Å; F249-T267 HydrophobicContact CD2-CG2 4.45Å
250	I	94.7	Very high	88.4	Confident	42 Å²	42	62 Å²	62	22%	0.215	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-43.1	180	-61.2	177.7	0	0	0	110.3	L187 L211 V216 I266 T267	L187-I250 HydrophobicContact CD1-CG2 4.3Å; L187-I250 WeakPolarHBondContact CD1-O 3.5Å; L211-I250 HydrophobicContact CD2-CG2 4.32Å; V216-I250 HydrophobicContact CB-CD1 4.12Å; V216-I250 HydrophobicContact CG1-CD1 3.52Å; I250-I266 WeakPolarHBondContact CA-O 3.17Å; I250-I266 HydrophobicContact CB-CB 4.38Å; I250-I266 HydrophobicContact CB-CG2 4.03Å; I250-I266 WeakPolarHBondContact CB-O 3.21Å; I250-I266 HydrophobicContact CD1-CG2 4.42Å; I250-I266 HydrophobicContact CG2-CG2 4.15Å; I250-I266 PolarHBondContact N-O 2.82Å; I250-T267 VanDerWaalsContact CD1-C 3.48Å; I250-T267 WeakPolarHBondContact CD1-O 3.21Å
251	G	92.9	Very high	87.9	Confident	5 Å²	5	62.6 Å²	62.6	5%	0.052	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.2	178.4	176.3	0	0	0	0	0	113.4	F249 I266	F249-G251 WeakPolarHBondContact CE2-O 3.27Å; G251-I266 PolarHBondContact N-O 2.84Å; G251-I266 VanDerWaalsContact N-O 3.15Å; G251-I266 WeakPolarHBondContact O-CA 3.32Å; G251-I266 WeakPolarHBondContact O-CB 3.39Å; G251-I266 PolarHBondContact O-N 2.85Å
252	A	93.3	Very high	87.6	Confident	30 Å²	30	64.9 Å²	64.9	25%	0.248	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	145.5	178.1	0	0	0	0	0	110	W229 Y233 F249 W264 L265	W229-A252 HydrophobicContact CZ2-CB 3.72Å; Y233-A252 HydrophobicContact CD2-CB 3.51Å; Y233-A252 HydrophobicContact CE2-CB 3.87Å; Y233-A252 HydrophobicContact CG-CB 4.34Å; F249-A252 HydrophobicContact CE2-CB 4.27Å; F249-A252 HydrophobicContact CZ-CB 4.04Å; A252-W264 CarbonylContact C-O 3.58Å; A252-W264 VanDerWaalsContact CA-O 3.23Å; A252-W264 WeakPolarHBondContact CA-O 3.08Å; A252-W264 WeakPolarHBondContact CB-O 3.36Å; A252-L265 HydrophobicContact CB-CD1 4.18Å
253	E	89.3	Confident	87.5	Confident	38 Å²	38	55.3 Å²	55.3	18%	0.178	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	152.6	-176.9	-65.3	-178.5	-171.9	0	0	110.4	R255 W264 I266	E253-R255 IonicContact OE1-NH2 3.95Å; E253-R255 IonicContact OE2-CZ 2.78Å; E253-R255 IonicContact OE2-NE 2.76Å; E253-R255 PolarHBondContact OE2-NE 3.1Å; E253-R255 IonicContact OE2-NH2 3.88Å; E253-R255 PolarHBondContact OE2-NH2 3.36Å; E253-W264 HydrophobicContact CB-CB 4.25Å; E253-W264 PolarHBondContact N-O 3.09Å; E253-W264 PolarHBondContact O-N 3.08Å; E253-I266 HydrophobicContact CG-CD1 4.32Å
254	K	88.3	Confident	87.3	Confident	106 Å²	106	53.7 Å²	53.7	46%	0.461	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.1	167	-56.1	-173.9	179.9	163.8	0	107.2	W229 V261 D262 L263	W229-K254 HydrophobicContact CH2-CG 4.3Å; W229-K254 HydrophobicContact CZ2-CG 4.48Å; K254-V261 HydrophobicContact CB-CG1 4.21Å; K254-D262 WeakPolarHBondContact CA-O 3.17Å; K254-L263 HydrophobicContact CB-CD2 4.25Å; K254-L263 HydrophobicContact CD-CD2 3.83Å; K254-L263 HydrophobicContact CG-CD2 3.61Å
255	R	82.3	Confident	87.2	Confident	52 Å²	52	48.7 Å²	48.7	20%	0.196	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.3	-178.3	-64.8	-170	179	-171.9	-4	110	E253 V261 D262 W264	E253-R255 IonicContact OE1-NH2 3.95Å; E253-R255 IonicContact OE2-CZ 2.78Å; E253-R255 IonicContact OE2-NE 2.76Å; E253-R255 PolarHBondContact OE2-NE 3.1Å; E253-R255 IonicContact OE2-NH2 3.88Å; E253-R255 PolarHBondContact OE2-NH2 3.36Å; R255-V261 CarbonylContact O-C 3.44Å; R255-V261 WeakPolarHBondContact O-CA 3.18Å; R255-D262 PolarHBondContact N-O 3.18Å; R255-D262 PolarHBondContact O-N 2.92Å; R255-W264 HydrophobicContact CG-CD2 4.48Å
256	G	74.3	Confident	87	Confident	23 Å²	23	48.7 Å²	48.7	24%	0.237	27%	0.27	C	S	.	.	S	Bend	trans	108	173.2	177.6	0	0	0	0	0	114.4
257	T	66.6	Low	86.9	Confident	87 Å²	87	49 Å²	49	53%	0.534	27%	0.272	S	S	.	.			trans	-90.4	162.5	177.4	47.8	0	0	0	0	110.8	V259 D260 V261	T257-V259 PolarHBondContact O-N 3.2Å; T257-D260 CarbonylContact O-C 3.52Å; T257-D260 PolarHBondContact O-N 2.77Å; T257-V261 VanDerWaalsContact O-CG2 3.24Å; T257-V261 WeakPolarHBondContact O-CG2 3.44Å; T257-V261 PolarHBondContact O-N 2.75Å
258	S	66.7	Low	86.8	Confident	116 Å²	116	49.1 Å²	49.1	81%	0.811	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.1	-27.5	-167	53.2	0	0	0	0	117.9
259	V	67.2	Low	86.8	Confident	117 Å²	117	44.6 Å²	44.6	71%	0.709	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-26.9	178.8	-170.2	0	0	0	0	113	T257	T257-V259 PolarHBondContact O-N 3.2Å
260	D	71.5	Confident	86.8	Confident	106 Å²	106	43.8 Å²	43.8	57%	0.567	25%	0.25	S	C	*	.	S	Bend	trans	-121.5	45.2	-174.7	-61.3	-50	0	0	0	110.8	T257 D262	T257-D260 CarbonylContact O-C 3.52Å; T257-D260 PolarHBondContact O-N 2.77Å; D260-D262 PolarHBondContact O-N 3.36Å
261	V	83.7	Confident	86.8	Confident	29 Å²	29	46.6 Å²	46.6	18%	0.176	26%	0.262	C	S	.	.			trans	-80.1	114.8	177.4	-178.2	0	0	0	0	109.6	I223 K254 R255 T257 L263	I223-V261 HydrophobicContact CD1-CB 4.42Å; K254-V261 HydrophobicContact CB-CG1 4.21Å; R255-V261 CarbonylContact O-C 3.44Å; R255-V261 WeakPolarHBondContact O-CA 3.18Å; T257-V261 VanDerWaalsContact O-CG2 3.24Å; T257-V261 WeakPolarHBondContact O-CG2 3.44Å; T257-V261 PolarHBondContact O-N 2.75Å; V261-L263 HydrophobicContact CG1-CD2 4.04Å
262	D	87.9	Confident	87	Confident	59 Å²	59	50 Å²	50	32%	0.316	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	134	166.5	-73.9	-22.3	0	0	0	110	I220 K254 R255 D260 W264	I220-D262 HydrophobicContact CG2-CB 3.86Å; K254-D262 WeakPolarHBondContact CA-O 3.17Å; R255-D262 PolarHBondContact N-O 3.18Å; R255-D262 PolarHBondContact O-N 2.92Å; D260-D262 PolarHBondContact O-N 3.36Å; D262-W264 VanDerWaalsContact CB-NE1 3.28Å
263	L	92.7	Very high	87.2	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	117.7	175.4	-54.1	172.7	0	0	0	108.8	F221 I223 K226 W229 K254 V261	F221-L263 HydrophobicContact CB-CB 4.2Å; F221-L263 PolarHBondContact N-O 2.78Å; F221-L263 PolarHBondContact O-N 3.27Å; I223-L263 HydrophobicContact CD1-CD1 4.22Å; I223-L263 HydrophobicContact CD1-CD2 4.46Å; I223-L263 HydrophobicContact CD1-CG 4.45Å; K226-L263 HydrophobicContact CB-CD1 3.69Å; K226-L263 HydrophobicContact CG-CD1 3.83Å; W229-L263 HydrophobicContact CB-CB 4.26Å; W229-L263 HydrophobicContact CB-CD1 4.11Å; W229-L263 HydrophobicContact CD2-CB 3.8Å; W229-L263 HydrophobicContact CD2-CD1 4.12Å; W229-L263 HydrophobicContact CD2-CG 4.39Å; W229-L263 HydrophobicContact CE3-CB 4.49Å; W229-L263 HydrophobicContact CE3-CD1 4.13Å; W229-L263 HydrophobicContact CE3-CD2 4.49Å; W229-L263 HydrophobicContact CG-CB 3.65Å; W229-L263 HydrophobicContact CG-CD1 4.13Å; W229-L263 HydrophobicContact CG-CG 4.5Å; K254-L263 HydrophobicContact CB-CD2 4.25Å; K254-L263 HydrophobicContact CD-CD2 3.83Å; K254-L263 HydrophobicContact CG-CD2 3.61Å; V261-L263 HydrophobicContact CG1-CD2 4.04Å
264	W	94.4	Very high	87.6	Confident	16 Å²	16	48.2 Å²	48.2	6%	0.061	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	134.3	-172.3	-69.6	40.6	0	0	0	109.4	L192 L194 V218 I220 W229 A252 E253 R255 D262	L192-W264 HydrophobicContact CD2-CE3 4.29Å; L192-W264 HydrophobicContact CD2-CZ3 3.55Å; L194-W264 HydrophobicContact CD1-CH2 3.64Å; L194-W264 HydrophobicContact CD1-CZ2 4.17Å; L194-W264 HydrophobicContact CD1-CZ3 4.42Å; L194-W264 HydrophobicContact CD2-CH2 3.81Å; L194-W264 HydrophobicContact CD2-CZ3 3.73Å; L194-W264 HydrophobicContact CG-CH2 3.75Å; L194-W264 HydrophobicContact CG-CZ3 4.16Å; V218-W264 HydrophobicContact CG1-CB 4.42Å; V218-W264 HydrophobicContact CG1-CD2 3.87Å; V218-W264 HydrophobicContact CG1-CE3 3.32Å; V218-W264 HydrophobicContact CG1-CG 4.36Å; V218-W264 HydrophobicContact CG1-CZ3 3.79Å; I220-W264 HydrophobicContact CD1-CH2 4.35Å; I220-W264 HydrophobicContact CD1-CZ2 3.92Å; I220-W264 HydrophobicContact CG1-CD2 4.28Å; I220-W264 HydrophobicContact CG1-CG 4.47Å; W229-W264 PolarHBondContact NE1-O 3.27Å; A252-W264 CarbonylContact C-O 3.58Å; A252-W264 VanDerWaalsContact CA-O 3.23Å; A252-W264 WeakPolarHBondContact CA-O 3.08Å; A252-W264 WeakPolarHBondContact CB-O 3.36Å; E253-W264 HydrophobicContact CB-CB 4.25Å; E253-W264 PolarHBondContact N-O 3.09Å; E253-W264 PolarHBondContact O-N 3.08Å; R255-W264 HydrophobicContact CG-CD2 4.48Å; D262-W264 VanDerWaalsContact CB-NE1 3.28Å
265	L	94.8	Very high	88.1	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.3	171.1	-168.4	86.1	0	0	0	108.3	V218 K219 F221 E232 Y236 F249 A252	V218-L265 WeakPolarHBondContact CA-O 3.08Å; K219-L265 HydrophobicContact CB-CB 4.38Å; K219-L265 PolarHBondContact N-O 2.92Å; K219-L265 PolarHBondContact O-N 3.26Å; F221-L265 HydrophobicContact CE2-CB 3.95Å; E232-L265 HydrophobicContact CB-CD2 4.33Å; E232-L265 HydrophobicContact CG-CD2 3.52Å; E232-L265 WeakPolarHBondContact OE1-CD2 3.32Å; Y236-L265 HydrophobicContact CD2-CD2 4.3Å; Y236-L265 HydrophobicContact CE2-CD2 3.97Å; F249-L265 HydrophobicContact CD2-CD1 4.24Å; F249-L265 HydrophobicContact CE2-CD1 3.59Å; F249-L265 HydrophobicContact CE2-CG 4.2Å; F249-L265 HydrophobicContact CZ-CD1 4.48Å; A252-L265 HydrophobicContact CB-CD1 4.18Å
266	I	95.4	Very high	88.8	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.6	-171.3	-49.7	164.1	0	0	0	108.5	L187 L192 V216 A217 V218 I250 G251 E253	L187-I266 HydrophobicContact CD2-CD1 3.75Å; L192-I266 HydrophobicContact CD1-CD1 3.59Å; L192-I266 HydrophobicContact CD1-CG1 4.1Å; L192-I266 HydrophobicContact CD1-CG2 4.3Å; V216-I266 HydrophobicContact CB-CG2 4.02Å; V216-I266 HydrophobicContact CG2-CG2 3.91Å; A217-I266 WeakPolarHBondContact O-CA 3.48Å; V218-I266 HydrophobicContact CG2-CG1 4.47Å; I250-I266 WeakPolarHBondContact CA-O 3.17Å; I250-I266 HydrophobicContact CB-CB 4.38Å; I250-I266 HydrophobicContact CB-CG2 4.03Å; I250-I266 WeakPolarHBondContact CB-O 3.21Å; I250-I266 HydrophobicContact CD1-CG2 4.42Å; I250-I266 HydrophobicContact CG2-CG2 4.15Å; I250-I266 PolarHBondContact N-O 2.82Å; G251-I266 PolarHBondContact N-O 2.84Å; G251-I266 VanDerWaalsContact N-O 3.15Å; G251-I266 WeakPolarHBondContact O-CA 3.32Å; G251-I266 WeakPolarHBondContact O-CB 3.39Å; G251-I266 PolarHBondContact O-N 2.85Å; E253-I266 HydrophobicContact CG-CD1 4.32Å
267	T	96.6	Very high	89.9	Confident	11 Å²	11	43.5 Å²	43.5	7%	0.067	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	169.2	-178.7	58.6	0	0	0	0	111	A217 Y236 L247 Q248 F249 I250	A217-T267 PolarHBondContact N-O 3.14Å; A217-T267 PolarHBondContact O-N 3.31Å; Y236-T267 HydrophobicContact CE2-CG2 4.37Å; L247-T267 HydrophobicContact CD2-CG2 4Å; L247-T267 HydrophobicContact CG-CG2 4.35Å; Q248-T267 CarbonylContact O-C 3.33Å; Q248-T267 VanDerWaalsContact O-CA 3.23Å; Q248-T267 WeakPolarHBondContact O-CA 3.42Å; Q248-T267 WeakPolarHBondContact O-CB 3.38Å; F249-T267 HydrophobicContact CD2-CG2 4.45Å; I250-T267 VanDerWaalsContact CD1-C 3.48Å; I250-T267 WeakPolarHBondContact CD1-O 3.21Å
268	A	96.7	Very high	91.4	Very high	12 Å²	12	40.1 Å²	40.1	10%	0.099	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	140.8	172.3	0	0	0	0	0	111.1	L247 Q248	L247-A268 HydrophobicContact CD1-CB 4.39Å; Q248-A268 HydrophobicContact CB-CB 3.86Å; Q248-A268 PolarHBondContact O-N 2.83Å
269	F	97	Very high	92.9	Very high	35 Å²	35	34.6 Å²	34.6	15%	0.154	19%	0.187	C	C	.	.			trans	-95.6	135.9	173.9	-176.6	-107.7	0	0	0	110.7	K198 K208 Y215 A217 E271	K198-F269 HydrophobicContact CG-CE2 4.06Å; K198-F269 HydrophobicContact CG-CZ 4.44Å; K208-F269 HydrophobicContact CB-CD2 4.42Å; K208-F269 HydrophobicContact CB-CE2 4.06Å; K208-F269 HydrophobicContact CB-CZ 4.19Å; K208-F269 HydrophobicContact CD-CD1 4.22Å; K208-F269 HydrophobicContact CD-CE1 3.59Å; K208-F269 HydrophobicContact CD-CE2 4.38Å; K208-F269 HydrophobicContact CD-CZ 3.7Å; K208-F269 HydrophobicContact CG-CD1 4.1Å; K208-F269 HydrophobicContact CG-CD2 4.26Å; K208-F269 HydrophobicContact CG-CE1 3.87Å; K208-F269 HydrophobicContact CG-CE2 4.08Å; K208-F269 HydrophobicContact CG-CG 4.3Å; K208-F269 HydrophobicContact CG-CZ 3.89Å; Y215-F269 WeakPolarHBondContact O-CB 3.31Å; A217-F269 HydrophobicContact CB-CB 4.38Å; A217-F269 HydrophobicContact CB-CD2 4.15Å; F269-E271 VanDerWaalsContact CE1-CD 3.45Å; F269-E271 HydrophobicContact CE1-CG 4.12Å; F269-E271 WeakPolarHBondContact CE1-OE2 3.35Å
270	H	97	Very high	94.4	Very high	34 Å²	34	34.4 Å²	34.4	16%	0.157	18%	0.177	C	C	.	.			trans	-125.5	119.7	176.8	-62.7	-38.5	0	0	0	110	K272 G273 L330	H270-K272 VanDerWaalsContact C-N 3.29Å; H270-K272 PolarHBondContact O-N 2.92Å; H270-G273 PolarHBondContact O-N 3.18Å; H270-L330 WeakPolarHBondContact CB-O 3.13Å
271	E	95.5	Very high	95.6	Very high	101 Å²	101	33.1 Å²	33.1	47%	0.472	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-30.2	-170.5	-67.4	-74.9	178.4	0	0	113.4	K208 F269 G273	K208-E271 VanDerWaalsContact NZ-CD 3.33Å; K208-E271 IonicContact NZ-OE1 3.18Å; K208-E271 PolarHBondContact NZ-OE1 2.91Å; K208-E271 IonicContact NZ-OE2 2.83Å; K208-E271 PolarHBondContact NZ-OE2 2.73Å; F269-E271 VanDerWaalsContact CE1-CD 3.45Å; F269-E271 HydrophobicContact CE1-CG 4.12Å; F269-E271 WeakPolarHBondContact CE1-OE2 3.35Å; E271-G273 PolarHBondContact O-N 2.86Å
272	K	96.6	Very high	96.3	Very high	76 Å²	76	35 Å²	35	33%	0.33	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-9.1	177.3	-67.6	-170.6	-178.3	-79.1	0	113.4	H270 F278 L330 K331 N332 L334	H270-K272 VanDerWaalsContact C-N 3.29Å; H270-K272 PolarHBondContact O-N 2.92Å; K272-F278 HydrophobicContact CB-CD2 4.33Å; K272-F278 HydrophobicContact CD-CD2 4.3Å; K272-F278 HydrophobicContact CD-CE2 4.03Å; K272-L330 HydrophobicContact CB-CB 3.96Å; K272-L330 HydrophobicContact CD-CB 4.43Å; K272-K331 WeakPolarHBondContact CD-O 3.44Å; K272-N332 WeakPolarHBondContact CE-O 3.38Å; K272-L334 HydrophobicContact CD-CD2 3.52Å; K272-L334 HydrophobicContact CD-CG 4.49Å
273	G	96.5	Very high	96.8	Very high	25 Å²	25	35.5 Å²	35.5	26%	0.258	20%	0.195	S	C	.	.			trans	66.5	-150.4	174.3	0	0	0	0	0	113.4	H270 E271 L329 L330	H270-G273 PolarHBondContact O-N 3.18Å; E271-G273 PolarHBondContact O-N 2.86Å; G273-L329 WeakPolarHBondContact O-CA 3.31Å; G273-L330 PolarHBondContact O-N 2.86Å
274	S	97.6	Very high	97	Very high	6 Å²	6	35.5 Å²	35.5	4%	0.042	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-76.9	153.3	179.1	77.8	0	0	0	0	111.9	S276 D277 F278 K326 V328	S274-S276 VanDerWaalsContact C-N 3.26Å; S274-S276 PolarHBondContact O-N 3.34Å; S274-D277 PolarHBondContact O-N 3.43Å; S274-D277 PolarHBondContact OG-N 3.48Å; S274-D277 PolarHBondContact OG-OD2 2.77Å; S274-F278 WeakPolarHBondContact O-CB 3.4Å; S274-F278 PolarHBondContact O-N 3.35Å; S274-K326 WeakPolarHBondContact CB-O 3.2Å; S274-V328 CarbonylContact C-O 3.57Å; S274-V328 WeakPolarHBondContact CA-O 3.23Å
275	L	98.7	Very high	97.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.2	-40.6	175.4	176.3	61.5	0	0	0	110.9	D277 F278 L279 I292 S325 V328 L330 V393 L397	L275-D277 PolarHBondContact O-N 2.83Å; L275-F278 PolarHBondContact O-N 3.29Å; L275-L279 HydrophobicContact CD1-CD1 3.78Å; L275-L279 HydrophobicContact CD1-CD2 4.16Å; L275-L279 HydrophobicContact CD1-CG 3.71Å; L275-L279 HydrophobicContact CG-CD1 3.86Å; L275-L279 HydrophobicContact CG-CG 4.18Å; L275-L279 WeakPolarHBondContact O-CB 3.31Å; L275-L279 VanDerWaalsContact O-CG 3.24Å; L275-L279 WeakPolarHBondContact O-CG 3.37Å; L275-L279 PolarHBondContact O-N 3.29Å; L275-I292 HydrophobicContact CD1-CG2 4.11Å; L275-I292 HydrophobicContact CD2-CG2 4.37Å; L275-S325 WeakPolarHBondContact CB-O 2.97Å; L275-S325 PolarHBondContact N-O 3.27Å; L275-V328 HydrophobicContact CB-CB 4.11Å; L275-V328 HydrophobicContact CB-CG1 4.23Å; L275-V328 HydrophobicContact CD2-CB 4.45Å; L275-V328 HydrophobicContact CD2-CG1 4.29Å; L275-V328 PolarHBondContact N-O 2.54Å; L275-L330 HydrophobicContact CD1-CD1 3.94Å; L275-L330 HydrophobicContact CD1-CD2 4.36Å; L275-L330 HydrophobicContact CD1-CG 4.45Å; L275-V393 HydrophobicContact CD2-CG1 3.69Å; L275-L397 HydrophobicContact CD1-CD2 3.78Å; L275-L397 HydrophobicContact CD2-CD1 4.23Å; L275-L397 HydrophobicContact CD2-CD2 4.2Å; L275-L397 HydrophobicContact CD2-CG 4.06Å
276	S	97.9	Very high	97.3	Very high	5 Å²	5	37.7 Å²	37.7	4%	0.035	21%	0.21	C	C	.	.	H	α-helix	trans	-55.7	-49.5	174.6	-176.1	0	0	0	0	112.1	S274 F278 L279 K280 S325 Y411	S274-S276 VanDerWaalsContact C-N 3.26Å; S274-S276 PolarHBondContact O-N 3.34Å; S276-F278 VanDerWaalsContact C-N 3.34Å; S276-L279 PolarHBondContact O-N 2.6Å; S276-K280 WeakPolarHBondContact O-CG 3.42Å; S276-K280 PolarHBondContact O-N 3.18Å; S276-K280 VanDerWaalsContact O-N 3.12Å; S276-K280 WeakPolarHBondContact OG-CE 3.33Å; S276-K280 PolarHBondContact OG-NZ 3.29Å; S276-S325 WeakPolarHBondContact CB-OG 3.44Å; S276-S325 PolarHBondContact N-O 2.83Å; S276-S325 VanDerWaalsContact N-O 3.1Å; S276-Y411 WeakPolarHBondContact CB-OH 3.29Å; S276-Y411 PolarHBondContact OG-OH 2.64Å
277	D	96.7	Very high	97.3	Very high	76 Å²	76	41 Å²	41	41%	0.406	23%	0.228	S	C	.	.	H	α-helix	trans	-71.3	-33.9	-177.7	-59.3	-37.9	0	0	0	111.7	S274 L275 K280	S274-D277 PolarHBondContact O-N 3.43Å; S274-D277 PolarHBondContact OG-N 3.48Å; S274-D277 PolarHBondContact OG-OD2 2.77Å; L275-D277 PolarHBondContact O-N 2.83Å; D277-K280 IonicContact OD1-NZ 2.66Å; D277-K280 PolarHBondContact OD1-NZ 2.72Å
278	F	98.5	Very high	97.4	Very high	17 Å²	17	44 Å²	44	8%	0.075	24%	0.241	C	C	.	.	H	α-helix	trans	-62.7	-47.6	173.1	-176.9	-96.9	0	0	0	111.6	K272 S274 L275 S276 K280 A281 N282 V284 L330 L334	K272-F278 HydrophobicContact CB-CD2 4.33Å; K272-F278 HydrophobicContact CD-CD2 4.3Å; K272-F278 HydrophobicContact CD-CE2 4.03Å; S274-F278 WeakPolarHBondContact O-CB 3.4Å; S274-F278 PolarHBondContact O-N 3.35Å; L275-F278 PolarHBondContact O-N 3.29Å; S276-F278 VanDerWaalsContact C-N 3.34Å; F278-K280 PolarHBondContact O-N 2.83Å; F278-A281 PolarHBondContact O-N 3.28Å; F278-N282 HydrophobicContact CD1-CB 4.36Å; F278-N282 HydrophobicContact CE1-CB 3.96Å; F278-N282 HydrophobicContact CE2-CB 4.23Å; F278-N282 HydrophobicContact CZ-CB 3.89Å; F278-N282 WeakPolarHBondContact O-CB 3.42Å; F278-N282 PolarHBondContact O-N 2.76Å; F278-N282 PolarHBondContact O-ND2 3.06Å; F278-V284 HydrophobicContact CE1-CG1 3.75Å; F278-L330 HydrophobicContact CB-CD1 3.78Å; F278-L330 HydrophobicContact CD1-CD1 3.59Å; F278-L330 HydrophobicContact CD2-CD1 4.11Å; F278-L330 HydrophobicContact CE1-CD1 4.21Å; F278-L330 HydrophobicContact CG-CD1 3.53Å; F278-L334 HydrophobicContact CE1-CD2 4.06Å; F278-L334 HydrophobicContact CE2-CD2 3.93Å; F278-L334 HydrophobicContact CZ-CD2 3.6Å
279	L	98.5	Very high	97.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-70.9	-25.6	-177.5	-70.1	-177.9	0	0	0	114	L275 S276 A281 V284 E396 L397 R400 Y411	L275-L279 HydrophobicContact CD1-CD1 3.78Å; L275-L279 HydrophobicContact CD1-CD2 4.16Å; L275-L279 HydrophobicContact CD1-CG 3.71Å; L275-L279 HydrophobicContact CG-CD1 3.86Å; L275-L279 HydrophobicContact CG-CG 4.18Å; L275-L279 WeakPolarHBondContact O-CB 3.31Å; L275-L279 VanDerWaalsContact O-CG 3.24Å; L275-L279 WeakPolarHBondContact O-CG 3.37Å; L275-L279 PolarHBondContact O-N 3.29Å; S276-L279 PolarHBondContact O-N 2.6Å; L279-A281 VanDerWaalsContact C-N 3.3Å; L279-V284 HydrophobicContact CD2-CG1 4.19Å; L279-E396 HydrophobicContact CD1-CB 4.27Å; L279-L397 HydrophobicContact CD1-CD2 4.27Å; L279-L397 HydrophobicContact CD2-CD2 4.32Å; L279-R400 HydrophobicContact CB-CG 4.19Å; L279-R400 HydrophobicContact CD2-CB 3.89Å; L279-R400 HydrophobicContact CD2-CG 4.35Å; L279-R400 PolarHBondContact O-NE 2.96Å; L279-R400 PolarHBondContact O-NH2 2.92Å; L279-Y411 HydrophobicContact CB-CD2 3.58Å; L279-Y411 HydrophobicContact CB-CE2 3.81Å; L279-Y411 HydrophobicContact CB-CG 4.5Å; L279-Y411 HydrophobicContact CD1-CE2 4.21Å
280	K	97.8	Very high	97.5	Very high	112 Å²	112	41.9 Å²	41.9	49%	0.487	23%	0.229	S	C	.	.	H	α-helix	trans	-62.9	-37.6	169.2	-73.8	168.6	-158.1	155.4	0	112.5	S276 D277 F278 Y411	S276-K280 WeakPolarHBondContact O-CG 3.42Å; S276-K280 PolarHBondContact O-N 3.18Å; S276-K280 VanDerWaalsContact O-N 3.12Å; S276-K280 WeakPolarHBondContact OG-CE 3.33Å; S276-K280 PolarHBondContact OG-NZ 3.29Å; D277-K280 IonicContact OD1-NZ 2.66Å; D277-K280 PolarHBondContact OD1-NZ 2.72Å; F278-K280 PolarHBondContact O-N 2.83Å; K280-Y411 HydrophobicContact CB-CD1 4.44Å; K280-Y411 HydrophobicContact CD-CD1 4.2Å; K280-Y411 HydrophobicContact CD-CE1 4.28Å; K280-Y411 VanDerWaalsContact CE-CE1 3.5Å; K280-Y411 HydrophobicContact CG-CD1 3.27Å; K280-Y411 HydrophobicContact CG-CE1 3.73Å; K280-Y411 HydrophobicContact CG-CG 3.78Å
281	A	97.1	Very high	97.6	Very high	79 Å²	79	43 Å²	43	65%	0.653	23%	0.234	S	C	*	.	H	α-helix	trans	-98.1	-17.8	-174.1	0	0	0	0	0	113.6	F278 L279	F278-A281 PolarHBondContact O-N 3.28Å; L279-A281 VanDerWaalsContact C-N 3.3Å
282	N	98.3	Very high	97.8	Very high	68 Å²	68	38.1 Å²	38.1	36%	0.364	21%	0.212	S	C	.	.			trans	-133	156.8	-171.2	-55.3	-89.2	0	0	0	111	F278 R400	F278-N282 HydrophobicContact CD1-CB 4.36Å; F278-N282 HydrophobicContact CE1-CB 3.96Å; F278-N282 HydrophobicContact CE2-CB 4.23Å; F278-N282 HydrophobicContact CZ-CB 3.89Å; F278-N282 WeakPolarHBondContact O-CB 3.42Å; F278-N282 PolarHBondContact O-N 2.76Å; F278-N282 PolarHBondContact O-ND2 3.06Å; N282-R400 PolarHBondContact O-NE 2.77Å; N282-R400 PolarHBondContact O-NH2 3.37Å
283	V	98.2	Very high	97.9	Very high	70 Å²	70	34.5 Å²	34.5	42%	0.424	20%	0.196	S	C	.	.			trans	-105	158.3	160.1	-65.3	0	0	0	0	108	R400 T402 V408	V283-R400 WeakPolarHBondContact CA-O 3.31Å; V283-R400 VanDerWaalsContact CG1-NH2 3.27Å; V283-T402 HydrophobicContact CB-CG2 3.7Å; V283-T402 HydrophobicContact CG1-CG2 4.48Å; V283-T402 HydrophobicContact CG2-CG2 3.57Å; V283-V408 HydrophobicContact CG1-CB 4.49Å; V283-V408 HydrophobicContact CG1-CG1 3.82Å
284	V	98.3	Very high	98	Very high	1 Å²	1	35 Å²	35	1%	0.006	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-118	143	178.7	-66.5	0	0	0	0	111	F278 L279 E288 L289 I292 R400 C401 T402	F278-V284 HydrophobicContact CE1-CG1 3.75Å; L279-V284 HydrophobicContact CD2-CG1 4.19Å; V284-E288 HydrophobicContact CB-CB 4.07Å; V284-E288 HydrophobicContact CG1-CB 4.42Å; V284-L289 HydrophobicContact CG2-CB 4.08Å; V284-I292 HydrophobicContact CG1-CD1 4.18Å; V284-R400 PolarHBondContact N-O 2.82Å; V284-C401 CarbonylContact O-C 3.52Å; V284-C401 VanDerWaalsContact O-CA 3.31Å; V284-C401 WeakPolarHBondContact O-CA 3.46Å; V284-T402 PolarHBondContact O-N 2.62Å
285	S	97.2	Very high	98	Very high	42 Å²	42	34.8 Å²	34.8	29%	0.294	19%	0.19	S	C	.	.			trans	-70.6	166.1	166.1	64.5	0	0	0	0	111	N287 E288 L289	S285-N287 VanDerWaalsContact C-N 3.31Å; S285-N287 PolarHBondContact O-N 3.43Å; S285-E288 WeakPolarHBondContact CB-OE2 3.18Å; S285-E288 PolarHBondContact N-OE2 3.04Å; S285-E288 PolarHBondContact O-N 2.79Å; S285-E288 VanDerWaalsContact OG-CG 3.27Å; S285-E288 WeakPolarHBondContact OG-CG 3.37Å; S285-E288 PolarHBondContact OG-N 2.86Å; S285-E288 PolarHBondContact OG-OE2 3.48Å; S285-L289 PolarHBondContact O-N 3.19Å
286	W	96.5	Very high	98	Very high	21 Å²	21	35 Å²	35	8%	0.08	19%	0.191	C	C	.	.	H	α-helix	trans	-52.8	-46.8	173.9	178.3	-116.4	0	0	0	113.1	E288 L289 C290 A403 H448 G450 M451 L454 M482 T486	W286-E288 PolarHBondContact O-N 2.77Å; W286-L289 HydrophobicContact CZ3-CD2 4.14Å; W286-L289 WeakPolarHBondContact O-CB 3.19Å; W286-L289 PolarHBondContact O-N 3.21Å; W286-C290 WeakPolarHBondContact CZ2-SG 3.46Å; W286-C290 PolarHBondContact O-N 2.75Å; W286-C290 PolarHBondContact O-SG 3.08Å; W286-A403 HydrophobicContact CB-CB 3.78Å; W286-A403 HydrophobicContact CE3-CB 4.2Å; W286-A403 HydrophobicContact CG-CB 4.4Å; W286-H448 AromaticContact CD2-CE1 3.56Å; W286-H448 AromaticContact CE2-CE1 3.79Å; W286-H448 AromaticContact CE3-CE1 3.75Å; W286-H448 AromaticContact CG-CE1 3.99Å; W286-G450 WeakPolarHBondContact CH2-O 3.29Å; W286-M451 HydrophobicContact CE3-CG 3.93Å; W286-M451 HydrophobicContact CZ3-CB 4.44Å; W286-M451 HydrophobicContact CZ3-CG 3.63Å; W286-L454 HydrophobicContact CZ3-CD2 4.42Å; W286-M482 HydrophobicContact CH2-CB 4.44Å; W286-M482 HydrophobicContact CZ2-CB 3.99Å; W286-T486 HydrophobicContact CZ2-CG2 4.1Å; W286-T486 PolarHBondContact NE1-OG1 3.32Å
287	N	96.6	Very high	98.1	Very high	71 Å²	71	34.7 Å²	34.7	38%	0.38	19%	0.189	S	C	.	.	H	α-helix	trans	-66.2	-38	-178.4	-79.6	-45.7	0	0	0	112.4	S285 H291 N487	S285-N287 VanDerWaalsContact C-N 3.31Å; S285-N287 PolarHBondContact O-N 3.43Å; N287-H291 WeakPolarHBondContact O-CB 3.24Å; N287-H291 PolarHBondContact O-N 2.73Å; N287-N487 PolarHBondContact OD1-OD1 3.48Å
288	E	98.2	Very high	98.2	Very high	73 Å²	73	35.3 Å²	35.3	34%	0.341	19%	0.186	S	C	.	.	H	α-helix	trans	-68.3	-41	175.5	-69.5	168.6	131.5	0	0	111.3	V284 S285 W286 H291 I292 L334	V284-E288 HydrophobicContact CB-CB 4.07Å; V284-E288 HydrophobicContact CG1-CB 4.42Å; S285-E288 WeakPolarHBondContact CB-OE2 3.18Å; S285-E288 PolarHBondContact N-OE2 3.04Å; S285-E288 PolarHBondContact O-N 2.79Å; S285-E288 VanDerWaalsContact OG-CG 3.27Å; S285-E288 WeakPolarHBondContact OG-CG 3.37Å; S285-E288 PolarHBondContact OG-N 2.86Å; S285-E288 PolarHBondContact OG-OE2 3.48Å; W286-E288 PolarHBondContact O-N 2.77Å; E288-H291 PolarHBondContact O-N 3.2Å; E288-I292 WeakPolarHBondContact O-CB 3.43Å; E288-I292 WeakPolarHBondContact O-CD1 3.33Å; E288-I292 WeakPolarHBondContact O-CG1 3.27Å; E288-I292 PolarHBondContact O-N 3.46Å; E288-L334 HydrophobicContact CB-CD1 3.97Å; E288-L334 HydrophobicContact CG-CD1 3.64Å; E288-L334 WeakPolarHBondContact OE1-CD1 3.42Å
289	L	98.5	Very high	98.2	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-56.8	-52.4	172.6	-178.9	153.1	0	0	0	110.8	V284 S285 W286 H291 I292 A293 L397 C401 L454	V284-L289 HydrophobicContact CG2-CB 4.08Å; S285-L289 PolarHBondContact O-N 3.19Å; W286-L289 HydrophobicContact CZ3-CD2 4.14Å; W286-L289 WeakPolarHBondContact O-CB 3.19Å; W286-L289 PolarHBondContact O-N 3.21Å; L289-H291 VanDerWaalsContact C-N 3.32Å; L289-H291 PolarHBondContact O-N 3.21Å; L289-I292 PolarHBondContact O-N 3.41Å; L289-A293 WeakPolarHBondContact O-CB 3.12Å; L289-A293 PolarHBondContact O-N 3.28Å; L289-L397 HydrophobicContact CD1-CB 4.1Å; L289-L397 HydrophobicContact CG-CB 4.2Å; L289-C401 HydrophobicContact CD1-CB 3.64Å; L289-L454 HydrophobicContact CD1-CD2 3.99Å; L289-L454 HydrophobicContact CD2-CD2 3.64Å; L289-L454 HydrophobicContact CG-CD2 4.47Å
290	C	98.3	Very high	98.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58	-46	179.6	-71.7	0	0	0	0	111.3	W286 A293 E294 I479 Q483	W286-C290 WeakPolarHBondContact CZ2-SG 3.46Å; W286-C290 PolarHBondContact O-N 2.75Å; W286-C290 PolarHBondContact O-SG 3.08Å; C290-A293 PolarHBondContact O-N 3.47Å; C290-E294 WeakPolarHBondContact O-CB 3.48Å; C290-E294 PolarHBondContact O-N 3.06Å; C290-I479 HydrophobicContact CB-CG2 3.98Å; C290-I479 WeakPolarHBondContact O-CG2 3.44Å; C290-Q483 HydrophobicContact CB-CB 4.06Å; C290-Q483 HydrophobicContact CB-CG 4.06Å
291	H	98.3	Very high	98.3	Very high	57 Å²	57	30.5 Å²	30.5	26%	0.264	17%	0.17	S	C	.	.	H	α-helix	trans	-61.8	-46.7	179.5	-178.4	70.4	0	0	0	112.5	N287 E288 L289 T295 N333 T335	N287-H291 WeakPolarHBondContact O-CB 3.24Å; N287-H291 PolarHBondContact O-N 2.73Å; E288-H291 PolarHBondContact O-N 3.2Å; L289-H291 VanDerWaalsContact C-N 3.32Å; L289-H291 PolarHBondContact O-N 3.21Å; H291-T295 WeakPolarHBondContact O-CB 3.39Å; H291-T295 VanDerWaalsContact O-CG2 3.24Å; H291-T295 WeakPolarHBondContact O-CG2 3.44Å; H291-T295 PolarHBondContact O-N 3.37Å; H291-T295 PolarHBondContact O-OG1 3.16Å; H291-N333 PolarHBondContact NE2-O 3.44Å; H291-T335 PolarHBondContact NE2-N 3.18Å; H291-T335 PolarHBondContact NE2-OG1 2.68Å
292	I	98.9	Very high	98.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.1	-47.9	177.8	-66.2	163.6	0	0	0	110.2	L275 V284 E288 L289 T295 M296 L330 L334 A336 L397	L275-I292 HydrophobicContact CD1-CG2 4.11Å; L275-I292 HydrophobicContact CD2-CG2 4.37Å; V284-I292 HydrophobicContact CG1-CD1 4.18Å; E288-I292 WeakPolarHBondContact O-CB 3.43Å; E288-I292 WeakPolarHBondContact O-CD1 3.33Å; E288-I292 WeakPolarHBondContact O-CG1 3.27Å; E288-I292 PolarHBondContact O-N 3.46Å; L289-I292 PolarHBondContact O-N 3.41Å; I292-T295 PolarHBondContact O-N 2.98Å; I292-T295 PolarHBondContact O-OG1 3.23Å; I292-T295 VanDerWaalsContact O-OG1 3.05Å; I292-M296 VanDerWaalsContact O-CB 3.27Å; I292-M296 WeakPolarHBondContact O-CB 3.33Å; I292-M296 PolarHBondContact O-N 2.99Å; I292-L330 HydrophobicContact CD1-CD1 4.37Å; I292-L330 HydrophobicContact CG1-CD2 4.17Å; I292-L330 HydrophobicContact CG2-CD2 3.89Å; I292-L334 HydrophobicContact CD1-CB 4.33Å; I292-L334 HydrophobicContact CD1-CD2 4.5Å; I292-L334 HydrophobicContact CG1-CB 3.98Å; I292-L334 WeakPolarHBondContact CG1-O 3.46Å; I292-A336 HydrophobicContact CG2-CB 4.33Å; I292-L397 HydrophobicContact CB-CD2 4.3Å; I292-L397 HydrophobicContact CD1-CD2 4.26Å; I292-L397 HydrophobicContact CG2-CD1 3.99Å; I292-L397 HydrophobicContact CG2-CD2 3.91Å
293	A	98.8	Very high	98.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.6	-43.8	-176.8	0	0	0	0	0	111.9	L289 C290 M296 A297 L394 L397 I479	L289-A293 WeakPolarHBondContact O-CB 3.12Å; L289-A293 PolarHBondContact O-N 3.28Å; C290-A293 PolarHBondContact O-N 3.47Å; A293-M296 PolarHBondContact O-N 3.21Å; A293-A297 VanDerWaalsContact O-CB 3.28Å; A293-A297 WeakPolarHBondContact O-CB 3.43Å; A293-A297 PolarHBondContact O-N 3.34Å; A293-L394 HydrophobicContact CB-CD2 3.66Å; A293-L397 HydrophobicContact CB-CD1 4.09Å; A293-I479 HydrophobicContact CB-CD1 3.56Å; A293-I479 HydrophobicContact CB-CG1 4.4Å; A293-I479 HydrophobicContact CB-CG2 4.4Å
294	E	98.5	Very high	98.3	Very high	34 Å²	34	23 Å²	23	16%	0.159	11%	0.113	C	C	.	.	H	α-helix	trans	-63.9	-46.9	177.6	-171.4	-160.2	160.5	0	0	111.2	C290 M296 A297 R298 I479 T480	C290-E294 WeakPolarHBondContact O-CB 3.48Å; C290-E294 PolarHBondContact O-N 3.06Å; E294-M296 VanDerWaalsContact C-N 3.35Å; E294-M296 PolarHBondContact O-N 3.46Å; E294-A297 PolarHBondContact O-N 3.16Å; E294-R298 WeakPolarHBondContact O-CB 3.26Å; E294-R298 PolarHBondContact O-N 3.26Å; E294-R298 IonicContact OE1-CZ 3.57Å; E294-R298 IonicContact OE1-NH2 3.38Å; E294-R298 PolarHBondContact OE1-NH2 2.84Å; E294-R298 IonicContact OE2-NH2 2.65Å; E294-I479 HydrophobicContact CB-CG2 3.94Å; E294-T480 PolarHBondContact OE1-OG1 3.37Å
295	T	98.8	Very high	98.3	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.012	14%	0.137	C	C	.	.	H	α-helix	trans	-66.1	-37.4	179.9	53	0	0	0	0	111.9	N245 H291 I292 G299 T335 A336	N245-T295 WeakPolarHBondContact CB-O 3.5Å; N245-T295 WeakPolarHBondContact ND2-CB 3.48Å; N245-T295 PolarHBondContact ND2-O 3.05Å; H291-T295 WeakPolarHBondContact O-CB 3.39Å; H291-T295 VanDerWaalsContact O-CG2 3.24Å; H291-T295 WeakPolarHBondContact O-CG2 3.44Å; H291-T295 PolarHBondContact O-N 3.37Å; H291-T295 PolarHBondContact O-OG1 3.16Å; I292-T295 PolarHBondContact O-N 2.98Å; I292-T295 PolarHBondContact O-OG1 3.23Å; I292-T295 VanDerWaalsContact O-OG1 3.05Å; T295-G299 PolarHBondContact O-N 3.06Å; T295-G299 VanDerWaalsContact O-N 3.11Å; T295-T335 HydrophobicContact CG2-CG2 3.94Å; T295-A336 WeakPolarHBondContact OG1-CB 3.35Å; T295-A336 PolarHBondContact OG1-N 3.33Å
296	M	98.9	Very high	98.2	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.02	14%	0.141	C	C	.	.	H	α-helix	trans	-63.6	-48.7	171.8	179.5	-178.4	67.7	0	0	111.4	I292 A293 E294 R298 G299 L300 V328 A336 M390 V393 L394	I292-M296 VanDerWaalsContact O-CB 3.27Å; I292-M296 WeakPolarHBondContact O-CB 3.33Å; I292-M296 PolarHBondContact O-N 2.99Å; A293-M296 PolarHBondContact O-N 3.21Å; E294-M296 VanDerWaalsContact C-N 3.35Å; E294-M296 PolarHBondContact O-N 3.46Å; M296-R298 VanDerWaalsContact C-N 3.31Å; M296-R298 PolarHBondContact O-N 2.94Å; M296-G299 PolarHBondContact O-N 2.69Å; M296-G299 VanDerWaalsContact O-N 3.15Å; M296-L300 PolarHBondContact O-N 3.05Å; M296-V328 HydrophobicContact CG-CG1 4.31Å; M296-V328 HydrophobicContact CG-CG2 4.25Å; M296-V328 HydrophobicContact SD-CG1 4.19Å; M296-V328 HydrophobicContact SD-CG2 3.79Å; M296-A336 HydrophobicContact CB-CB 3.91Å; M296-M390 HydrophobicContact CE-CE 3.96Å; M296-M390 HydrophobicContact CE-CG 4.05Å; M296-V393 HydrophobicContact CE-CB 4.45Å; M296-V393 HydrophobicContact CE-CG1 4.03Å; M296-V393 HydrophobicContact SD-CB 4.37Å; M296-V393 HydrophobicContact SD-CG1 3.62Å; M296-L394 HydrophobicContact CE-CD2 3.75Å; M296-L394 HydrophobicContact CE-CG 4.14Å
297	A	98.9	Very high	98.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57.4	-44.1	178.2	0	0	0	0	0	111.7	A293 E294 G299 L300 A301 M390 V475	A293-A297 VanDerWaalsContact O-CB 3.28Å; A293-A297 WeakPolarHBondContact O-CB 3.43Å; A293-A297 PolarHBondContact O-N 3.34Å; E294-A297 PolarHBondContact O-N 3.16Å; A297-G299 VanDerWaalsContact C-N 3.34Å; A297-G299 PolarHBondContact O-N 3.4Å; A297-L300 PolarHBondContact O-N 3.47Å; A297-A301 VanDerWaalsContact O-CB 3.3Å; A297-A301 WeakPolarHBondContact O-CB 3.43Å; A297-A301 PolarHBondContact O-N 2.87Å; A297-M390 VanDerWaalsContact CA-CE 3.44Å; A297-M390 HydrophobicContact CB-CE 3.38Å; A297-V475 HydrophobicContact CB-CB 4.45Å; A297-V475 HydrophobicContact CB-CG1 4.19Å
298	R	98.8	Very high	97.9	Very high	88 Å²	88	30.8 Å²	30.8	33%	0.332	15%	0.154	S	C	.	.	H	α-helix	trans	-62.1	-40.8	176.8	-164.2	-177.1	-50.2	115.5	-2.7	112.2	N245 E294 M296 Y302	N245-R298 PolarHBondContact OD1-NH1 3.41Å; N245-R298 VanDerWaalsContact OD1-NH1 3.13Å; E294-R298 WeakPolarHBondContact O-CB 3.26Å; E294-R298 PolarHBondContact O-N 3.26Å; E294-R298 IonicContact OE1-CZ 3.57Å; E294-R298 IonicContact OE1-NH2 3.38Å; E294-R298 PolarHBondContact OE1-NH2 2.84Å; E294-R298 IonicContact OE2-NH2 2.65Å; M296-R298 VanDerWaalsContact C-N 3.31Å; M296-R298 PolarHBondContact O-N 2.94Å; R298-Y302 WeakPolarHBondContact O-CB 3.42Å; R298-Y302 PolarHBondContact O-N 3.04Å
299	G	98.8	Very high	97.4	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-44.5	174.2	0	0	0	0	0	112.6	N245 T295 M296 A297 Y302 L303	N245-G299 VanDerWaalsContact CB-CA 3.44Å; T295-G299 PolarHBondContact O-N 3.06Å; T295-G299 VanDerWaalsContact O-N 3.11Å; M296-G299 PolarHBondContact O-N 2.69Å; M296-G299 VanDerWaalsContact O-N 3.15Å; A297-G299 VanDerWaalsContact C-N 3.34Å; A297-G299 PolarHBondContact O-N 3.4Å; G299-Y302 PolarHBondContact O-N 2.87Å; G299-L303 WeakPolarHBondContact O-CG 3.34Å; G299-L303 PolarHBondContact O-N 3.03Å; G299-L303 VanDerWaalsContact O-N 3.08Å
300	L	98.9	Very high	97	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-71.2	-41	-179.7	-172.2	59.8	0	0	0	111.8	M296 A297 Y302 L303 H304 I323 I338 D386 M387 M390 A472	M296-L300 PolarHBondContact O-N 3.05Å; A297-L300 PolarHBondContact O-N 3.47Å; L300-Y302 VanDerWaalsContact C-N 3.29Å; L300-Y302 PolarHBondContact O-N 2.85Å; L300-L303 HydrophobicContact CD1-CD1 4.31Å; L300-L303 WeakPolarHBondContact O-CB 3.42Å; L300-L303 PolarHBondContact O-N 2.95Å; L300-L303 VanDerWaalsContact O-N 3.13Å; L300-H304 WeakPolarHBondContact CD1-NE2 3.47Å; L300-H304 WeakPolarHBondContact O-CB 3.39Å; L300-H304 PolarHBondContact O-CD2 3.23Å; L300-H304 PolarHBondContact O-N 3.33Å; L300-I323 HydrophobicContact CD1-CD1 4.01Å; L300-I323 HydrophobicContact CD1-CG1 4.26Å; L300-I338 HydrophobicContact CB-CD1 3.78Å; L300-I338 HydrophobicContact CD1-CD1 4.28Å; L300-I338 VanDerWaalsContact N-CD1 3.3Å; L300-D386 HydrophobicContact CD1-CB 4.18Å; L300-D386 HydrophobicContact CD2-CB 4.25Å; L300-M387 HydrophobicContact CD2-SD 3.91Å; L300-M390 HydrophobicContact CD2-CB 4.11Å; L300-M390 HydrophobicContact CD2-CG 4.32Å; L300-M390 HydrophobicContact CD2-SD 3.69Å; L300-A472 HydrophobicContact CB-CB 3.92Å; L300-A472 HydrophobicContact CD2-CB 4.14Å; L300-A472 HydrophobicContact CG-CB 3.93Å
301	A	98.8	Very high	96.5	Very high	25 Å²	25	43.7 Å²	43.7	21%	0.207	23%	0.233	C	C	.	.	H	α-helix	trans	-57.4	-45.2	173.5	0	0	0	0	0	110.9	A297 L303 H304 E305 A472	A297-A301 VanDerWaalsContact O-CB 3.3Å; A297-A301 WeakPolarHBondContact O-CB 3.43Å; A297-A301 PolarHBondContact O-N 2.87Å; A301-L303 VanDerWaalsContact C-N 3.34Å; A301-L303 PolarHBondContact O-N 2.84Å; A301-H304 PolarHBondContact O-N 2.85Å; A301-E305 WeakPolarHBondContact O-CB 3.45Å; A301-E305 PolarHBondContact O-N 2.83Å; A301-A472 HydrophobicContact CB-CB 3.85Å
302	Y	98.5	Very high	95.8	Very high	37 Å²	37	47.6 Å²	47.6	15%	0.145	26%	0.256	C	S	.	.	H	α-helix	trans	-61.3	-40.2	176.2	-170.2	-98.4	0	0	0	112.4	G240 H243 I246 R298 G299 L300 I307 K315	G240-Y302 VanDerWaalsContact O-CE1 3.23Å; G240-Y302 WeakPolarHBondContact O-CE1 3.48Å; G240-Y302 PolarHBondContact O-OH 2.86Å; H243-Y302 HydrophobicContact CB-CD1 3.69Å; H243-Y302 HydrophobicContact CB-CE1 3.72Å; H243-Y302 HydrophobicContact CB-CG 4.27Å; H243-Y302 AromaticContact CD2-CD1 4Å; H243-Y302 AromaticContact CD2-CD2 3.67Å; H243-Y302 AromaticContact CD2-CE2 3.96Å; H243-Y302 AromaticContact CD2-CG 3.68Å; H243-Y302 AromaticContact CG-CD1 3.72Å; H243-Y302 AromaticContact CG-CG 3.78Å; I246-Y302 HydrophobicContact CD1-CD1 3.63Å; I246-Y302 HydrophobicContact CD1-CE1 4.21Å; R298-Y302 WeakPolarHBondContact O-CB 3.42Å; R298-Y302 PolarHBondContact O-N 3.04Å; G299-Y302 PolarHBondContact O-N 2.87Å; L300-Y302 VanDerWaalsContact C-N 3.29Å; L300-Y302 PolarHBondContact O-N 2.85Å; Y302-I307 HydrophobicContact CD2-CD1 4.01Å; Y302-I307 HydrophobicContact CE2-CD1 3.41Å; Y302-I307 VanDerWaalsContact CE2-CD1 3.41Å; Y302-K315 HydrophobicContact CD1-CD 4.43Å; Y302-K315 HydrophobicContact CE1-CD 3.73Å; Y302-K315 WeakPolarHBondContact O-CE 3.5Å; Y302-K315 PolarHBondContact O-NZ 3Å
303	L	98.4	Very high	95.4	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.9	-47.2	174.1	-72.8	170.5	0	0	0	111.6	M241 I246 G299 L300 A301 E305 K315 I318 I338 F341	M241-L303 HydrophobicContact CE-CD2 3.78Å; M241-L303 HydrophobicContact SD-CD2 4.2Å; I246-L303 HydrophobicContact CD1-CD2 3.5Å; I246-L303 VanDerWaalsContact CD1-CD2 3.5Å; I246-L303 HydrophobicContact CD1-CG 3.87Å; I246-L303 HydrophobicContact CG1-CD2 4.3Å; I246-L303 HydrophobicContact CG1-CG 4.36Å; G299-L303 WeakPolarHBondContact O-CG 3.34Å; G299-L303 PolarHBondContact O-N 3.03Å; G299-L303 VanDerWaalsContact O-N 3.08Å; L300-L303 HydrophobicContact CD1-CD1 4.31Å; L300-L303 WeakPolarHBondContact O-CB 3.42Å; L300-L303 PolarHBondContact O-N 2.95Å; L300-L303 VanDerWaalsContact O-N 3.13Å; A301-L303 VanDerWaalsContact C-N 3.34Å; A301-L303 PolarHBondContact O-N 2.84Å; L303-E305 VanDerWaalsContact C-N 3.27Å; L303-E305 PolarHBondContact O-N 3.36Å; L303-K315 PolarHBondContact O-NZ 3.33Å; L303-I318 CarbonylContact C-O 3.58Å; L303-I318 HydrophobicContact CD2-CB 4.49Å; L303-I318 HydrophobicContact CD2-CD1 4.45Å; L303-I318 PolarHBondContact O-N 3.48Å; L303-I338 HydrophobicContact CD1-CB 4.41Å; L303-I338 HydrophobicContact CD1-CD1 3.92Å; L303-I338 HydrophobicContact CD1-CG2 4.02Å; L303-F341 HydrophobicContact CD1-CE1 3.69Å; L303-F341 HydrophobicContact CD1-CZ 4.2Å; L303-F341 HydrophobicContact CD2-CE1 3.62Å; L303-F341 HydrophobicContact CD2-CZ 4.1Å; L303-F341 HydrophobicContact CG-CE1 4.32Å
304	H	98.4	Very high	95.1	Very high	24 Å²	24	52.9 Å²	52.9	11%	0.111	29%	0.289	C	S	.	.	H	α-helix	trans	-68.4	-23.5	-177.5	-70.9	-169.2	0	0	0	113.6	L300 A301 A317 I318 L383 D386	L300-H304 WeakPolarHBondContact CD1-NE2 3.47Å; L300-H304 WeakPolarHBondContact O-CB 3.39Å; L300-H304 PolarHBondContact O-CD2 3.23Å; L300-H304 PolarHBondContact O-N 3.33Å; A301-H304 PolarHBondContact O-N 2.85Å; H304-A317 VanDerWaalsContact O-CB 3.22Å; H304-A317 WeakPolarHBondContact O-CB 3.43Å; H304-I318 PolarHBondContact CD2-O 2.9Å; H304-L383 HydrophobicContact CB-CD1 4.25Å; H304-L383 HydrophobicContact CB-CD2 4.12Å; H304-L383 PolarHBondContact CE1-O 3.19Å; H304-L383 VanDerWaalsContact CE1-O 3.3Å; H304-D386 IonicContact CD2-OD2 2.75Å; H304-D386 IonicContact CE1-OD2 3.62Å; H304-D386 IonicContact NE2-OD2 3.91Å; H304-D386 PolarHBondContact NE2-OD2 3.16Å
305	E	96.8	Very high	95	Very high	107 Å²	107	51.2 Å²	51.2	50%	0.5	28%	0.281	S	S	.	.			trans	-73.3	136.1	-179.4	-164.6	179.7	179.6	0	0	112.6	A301 L303 I307 K315	A301-E305 WeakPolarHBondContact O-CB 3.45Å; A301-E305 PolarHBondContact O-N 2.83Å; L303-E305 VanDerWaalsContact C-N 3.27Å; L303-E305 PolarHBondContact O-N 3.36Å; E305-I307 HydrophobicContact CB-CD1 4.37Å; E305-I307 HydrophobicContact CB-CG1 4.08Å; E305-I307 HydrophobicContact CG-CD1 4.25Å; E305-I307 HydrophobicContact CG-CG1 3.69Å; E305-K315 PolarHBondContact O-NZ 3.31Å
306	D	95.4	Very high	94.9	Very high	70 Å²	70	51.4 Å²	51.4	37%	0.374	28%	0.283	S	S	.	.			trans	-94.3	108.8	171	-171.6	12	0	0	0	109.4	P308 H314 A317	D306-P308 WeakPolarHBondContact O-CD 3.46Å; D306-H314 IonicContact OD1-CD2 2.73Å; D306-H314 IonicContact OD1-CE1 2.64Å; D306-H314 IonicContact OD1-NE2 3.21Å; D306-H314 PolarHBondContact OD1-NE2 2.88Å; D306-A317 HydrophobicContact CB-CB 4.26Å
307	I	95.3	Very high	94.8	Very high	27 Å²	27	51.3 Å²	51.3	14%	0.138	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	91.3	-170.3	-45.8	179.3	0	0	0	110	Y302 E305 L310 H314 K315	Y302-I307 HydrophobicContact CD2-CD1 4.01Å; Y302-I307 HydrophobicContact CE2-CD1 3.41Å; Y302-I307 VanDerWaalsContact CE2-CD1 3.41Å; E305-I307 HydrophobicContact CB-CD1 4.37Å; E305-I307 HydrophobicContact CB-CG1 4.08Å; E305-I307 HydrophobicContact CG-CD1 4.25Å; E305-I307 HydrophobicContact CG-CG1 3.69Å; I307-L310 HydrophobicContact CB-CD1 4.29Å; I307-L310 HydrophobicContact CG2-CD1 4.13Å; I307-L310 HydrophobicContact CG2-CD2 3.84Å; I307-L310 HydrophobicContact CG2-CG 3.89Å; I307-H314 PolarHBondContact O-CD2 3.2Å; I307-K315 HydrophobicContact CB-CB 4.2Å; I307-K315 HydrophobicContact CD1-CD 3.87Å; I307-K315 HydrophobicContact CG1-CD 4.2Å; I307-K315 PolarHBondContact N-O 2.9Å; I307-K315 PolarHBondContact O-N 3.41Å; I307-K315 VanDerWaalsContact O-N 3.1Å
308	P	91.8	Very high	94.7	Very high	94 Å²	94	51.3 Å²	51.3	61%	0.61	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	155.4	176.7	31.6	-35.5	0	0	0	111.9	D306 L310	D306-P308 WeakPolarHBondContact O-CD 3.46Å; P308-L310 PolarHBondContact O-N 3.09Å
309	G	88.1	Confident	94.7	Very high	77 Å²	77	47.1 Å²	47.1	79%	0.794	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	71.6	23.7	168.1	0	0	0	0	0	115.9
310	L	89.2	Confident	94.7	Very high	56 Å²	56	47.1 Å²	47.1	29%	0.293	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	153.6	168.1	-62.2	166.1	0	0	0	109.7	I307 P308 D312 G313 K315	I307-L310 HydrophobicContact CB-CD1 4.29Å; I307-L310 HydrophobicContact CG2-CD1 4.13Å; I307-L310 HydrophobicContact CG2-CD2 3.84Å; I307-L310 HydrophobicContact CG2-CG 3.89Å; P308-L310 PolarHBondContact O-N 3.09Å; L310-D312 PolarHBondContact O-N 2.73Å; L310-D312 VanDerWaalsContact O-N 3.12Å; L310-G313 CarbonylContact C-O 3.56Å; L310-G313 WeakPolarHBondContact CA-O 3.49Å; L310-G313 VanDerWaalsContact CB-O 3.23Å; L310-G313 WeakPolarHBondContact CB-O 3.41Å; L310-G313 PolarHBondContact N-O 3.24Å; L310-G313 PolarHBondContact O-N 2.93Å; L310-G313 VanDerWaalsContact O-O 3.09Å; L310-K315 HydrophobicContact CD1-CB 3.7Å
311	K	87.2	Confident	94.6	Very high	212 Å²	212	48 Å²	48	92%	0.922	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-35.6	179.9	-67.4	-176.8	179.7	179.4	0	112.9
312	D	85.4	Confident	94.5	Very high	139 Å²	139	47.2 Å²	47.2	74%	0.743	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	5.1	-177	-58	-31.1	0	0	0	113.1	P239 L310	P239-D312 WeakPolarHBondContact CB-O 3.26Å; P239-D312 VanDerWaalsContact CG-O 3.31Å; P239-D312 WeakPolarHBondContact CG-O 3.21Å; L310-D312 PolarHBondContact O-N 2.73Å; L310-D312 VanDerWaalsContact O-N 3.12Å
313	G	90.2	Very high	94.5	Very high	31 Å²	31	45.7 Å²	45.7	32%	0.32	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	131.5	-151.5	177.2	0	0	0	0	0	114.3	L310	L310-G313 CarbonylContact C-O 3.56Å; L310-G313 WeakPolarHBondContact CA-O 3.49Å; L310-G313 VanDerWaalsContact CB-O 3.23Å; L310-G313 WeakPolarHBondContact CB-O 3.41Å; L310-G313 PolarHBondContact N-O 3.24Å; L310-G313 PolarHBondContact O-N 2.93Å; L310-G313 VanDerWaalsContact O-O 3.09Å
314	H	92.6	Very high	94.5	Very high	80 Å²	80	47.2 Å²	47.2	37%	0.37	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.6	-179.8	177	-164.5	0	0	0	109.2	D306 I307 P316	D306-H314 IonicContact OD1-CD2 2.73Å; D306-H314 IonicContact OD1-CE1 2.64Å; D306-H314 IonicContact OD1-NE2 3.21Å; D306-H314 PolarHBondContact OD1-NE2 2.88Å; I307-H314 PolarHBondContact O-CD2 3.2Å; H314-P316 WeakPolarHBondContact O-CD 3.45Å
315	K	95.6	Very high	94.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	108.6	168.5	-176.3	-158.4	161.3	-67.8	0	108.8	P239 Y302 L303 E305 I307 L310	P239-K315 VanDerWaalsContact O-CB 3.22Å; P239-K315 WeakPolarHBondContact O-CB 3.41Å; P239-K315 WeakPolarHBondContact O-CG 3.24Å; Y302-K315 HydrophobicContact CD1-CD 4.43Å; Y302-K315 HydrophobicContact CE1-CD 3.73Å; Y302-K315 WeakPolarHBondContact O-CE 3.5Å; Y302-K315 PolarHBondContact O-NZ 3Å; L303-K315 PolarHBondContact O-NZ 3.33Å; E305-K315 PolarHBondContact O-NZ 3.31Å; I307-K315 HydrophobicContact CB-CB 4.2Å; I307-K315 HydrophobicContact CD1-CD 3.87Å; I307-K315 HydrophobicContact CG1-CD 4.2Å; I307-K315 PolarHBondContact N-O 2.9Å; I307-K315 PolarHBondContact O-N 3.41Å; I307-K315 VanDerWaalsContact O-N 3.1Å; L310-K315 HydrophobicContact CD1-CB 3.7Å
316	P	96.1	Very high	94.5	Very high	6 Å²	6	46 Å²	46	4%	0.039	26%	0.256	C	S	.	.			trans	-68.8	163.6	173.9	30.2	-34.9	0	0	0	111.3	L238 H314 K346 F347	L238-P316 HydrophobicContact CD1-CG 4.06Å; H314-P316 WeakPolarHBondContact O-CD 3.45Å; P316-K346 HydrophobicContact CG-CB 4.25Å; P316-F347 VanDerWaalsContact CB-O 3.27Å; P316-F347 WeakPolarHBondContact CB-O 3.27Å
317	A	96.9	Very high	94.6	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	141.7	162.6	0	0	0	0	0	110	H304 D306 F347	H304-A317 VanDerWaalsContact O-CB 3.22Å; H304-A317 WeakPolarHBondContact O-CB 3.43Å; D306-A317 HydrophobicContact CB-CB 4.26Å; A317-F347 HydrophobicContact CB-CB 4.48Å; A317-F347 HydrophobicContact CB-CD2 4.22Å; A317-F347 WeakPolarHBondContact O-CD2 3.45Å; A317-F347 PolarHBondContact O-N 2.88Å
318	I	98.1	Very high	94.7	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	126.4	-178.8	-60.6	160.2	0	0	0	108.2	V235 L238 M241 L303 H304 A344 L345 K346	V235-I318 HydrophobicContact CG1-CD1 4.27Å; V235-I318 HydrophobicContact CG1-CG2 4.48Å; L238-I318 HydrophobicContact CD1-CD1 3.76Å; L238-I318 HydrophobicContact CD1-CG1 4.37Å; M241-I318 HydrophobicContact CE-CD1 4.11Å; M241-I318 HydrophobicContact SD-CD1 3.46Å; M241-I318 WeakPolarHBondContact SD-CD1 3.46Å; L303-I318 CarbonylContact C-O 3.58Å; L303-I318 HydrophobicContact CD2-CB 4.49Å; L303-I318 HydrophobicContact CD2-CD1 4.45Å; L303-I318 PolarHBondContact O-N 3.48Å; H304-I318 PolarHBondContact CD2-O 2.9Å; I318-A344 HydrophobicContact CG2-CB 4Å; I318-L345 WeakPolarHBondContact CA-O 3.35Å; I318-K346 HydrophobicContact CG1-CB 4.32Å
319	S	97.8	Very high	95.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	138.2	163.8	58.7	0	0	0	0	109.2	R321 A344 L345 F347 D386	S319-R321 WeakPolarHBondContact OG-CG 3.39Å; S319-A344 CarbonylContact O-C 3.51Å; S319-A344 WeakPolarHBondContact O-CA 3.16Å; S319-A344 WeakPolarHBondContact O-CB 3.26Å; S319-L345 PolarHBondContact N-O 2.83Å; S319-L345 PolarHBondContact O-N 3.42Å; S319-F347 WeakPolarHBondContact OG-CE2 3.35Å; S319-F347 WeakPolarHBondContact OG-CZ 3.33Å; S319-D386 WeakPolarHBondContact CA-OD2 3.46Å
320	H	98.2	Very high	95.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.			trans	-81.9	-42	-178.3	-173.5	-61.4	0	0	0	112.2	D322 I323 I338 A339 D340 F341 A344 D386	H320-D322 PolarHBondContact ND1-N 3.04Å; H320-D322 PolarHBondContact O-N 2.88Å; H320-D322 VanDerWaalsContact O-N 3.15Å; H320-I323 HydrophobicContact CB-CD1 3.63Å; H320-I323 HydrophobicContact CB-CG1 3.86Å; H320-I323 VanDerWaalsContact CG-CD1 3.45Å; H320-I338 WeakPolarHBondContact CD2-CG2 3.39Å; H320-I338 WeakPolarHBondContact NE2-CG2 3.29Å; H320-A339 PolarHBondContact NE2-O 3.41Å; H320-D340 PolarHBondContact CE1-O 2.87Å; H320-D340 PolarHBondContact NE2-O 3.26Å; H320-F341 AromaticContact CD2-CD1 3.99Å; H320-F341 AromaticContact CD2-CE1 3.77Å; H320-A344 WeakPolarHBondContact O-CA 3.39Å; H320-D386 PolarHBondContact N-OD1 3.16Å; H320-D386 PolarHBondContact N-OD2 3.06Å
321	R	97	Very high	96	Very high	22 Å²	22	34.9 Å²	34.9	8%	0.083	17%	0.171	C	C	.	.	S	Bend	trans	64.6	12.2	175	-48.4	-178.4	62.2	-153.3	2.9	116.1	S319 H357 G358 G361 D386	S319-R321 WeakPolarHBondContact OG-CG 3.39Å; R321-H357 PolarHBondContact NH1-O 3.2Å; R321-H357 PolarHBondContact NH2-O 2.87Å; R321-G358 PolarHBondContact NH2-O 3.5Å; R321-G361 WeakPolarHBondContact O-CA 3.31Å; R321-D386 WeakPolarHBondContact CA-OD1 3.35Å; R321-D386 PolarHBondContact N-OD1 2.91Å
322	D	96.8	Very high	96.5	Very high	8 Å²	8	30.5 Å²	30.5	4%	0.043	16%	0.158	C	C	.	.			trans	-155	38.4	174.2	-162.1	36.4	0	0	0	110.6	H320 K324 N327 L343 T362	H320-D322 PolarHBondContact ND1-N 3.04Å; H320-D322 PolarHBondContact O-N 2.88Å; H320-D322 VanDerWaalsContact O-N 3.15Å; D322-K324 PolarHBondContact O-N 3.34Å; D322-K324 IonicContact OD1-NZ 3.2Å; D322-K324 PolarHBondContact OD1-NZ 3.11Å; D322-K324 IonicContact OD2-NZ 3.73Å; D322-K324 PolarHBondContact OD2-NZ 3.26Å; D322-N327 PolarHBondContact O-ND2 3.29Å; D322-N327 PolarHBondContact OD2-ND2 2.82Å; D322-N327 VanDerWaalsContact OD2-ND2 3.11Å; D322-L343 HydrophobicContact CB-CD1 4.02Å; D322-T362 WeakPolarHBondContact OD1-CB 3.28Å; D322-T362 PolarHBondContact OD1-N 3.48Å; D322-T362 PolarHBondContact OD1-OG1 3.28Å
323	I	98.7	Very high	97.1	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.031	15%	0.147	C	C	.	.			trans	-62.5	127.5	171	-63.8	-61.5	0	0	0	108.2	L300 H320 I338 D386 A389 V393	L300-I323 HydrophobicContact CD1-CD1 4.01Å; L300-I323 HydrophobicContact CD1-CG1 4.26Å; H320-I323 HydrophobicContact CB-CD1 3.63Å; H320-I323 HydrophobicContact CB-CG1 3.86Å; H320-I323 VanDerWaalsContact CG-CD1 3.45Å; I323-I338 HydrophobicContact CD1-CD1 4.46Å; I323-I338 HydrophobicContact CD1-CG2 4.12Å; I323-D386 HydrophobicContact CG1-CB 4.16Å; I323-A389 HydrophobicContact CB-CB 3.81Å; I323-A389 HydrophobicContact CG2-CB 4.09Å; I323-A389 WeakPolarHBondContact O-CB 3.48Å; I323-V393 HydrophobicContact CG2-CG2 4.28Å
324	K	98.3	Very high	97.5	Very high	31 Å²	31	27.6 Å²	27.6	14%	0.135	14%	0.135	C	C	.	.			trans	-166.2	159	175.3	63.2	-158.7	-174	-152.4	0	108.3	D322 K326 N327 V328 T362 Y365	D322-K324 PolarHBondContact O-N 3.34Å; D322-K324 IonicContact OD1-NZ 3.2Å; D322-K324 PolarHBondContact OD1-NZ 3.11Å; D322-K324 IonicContact OD2-NZ 3.73Å; D322-K324 PolarHBondContact OD2-NZ 3.26Å; K324-K326 HydrophobicContact CG-CB 4.19Å; K324-K326 PolarHBondContact O-N 2.78Å; K324-N327 WeakPolarHBondContact CE-ND2 3.36Å; K324-N327 WeakPolarHBondContact CE-OD1 3.48Å; K324-N327 HydrophobicContact CG-CB 4.08Å; K324-N327 PolarHBondContact O-N 2.68Å; K324-V328 PolarHBondContact O-N 3.15Å; K324-T362 HydrophobicContact CD-CG2 4.26Å; K324-T362 WeakPolarHBondContact CD-OG1 3.41Å; K324-T362 PolarHBondContact NZ-OG1 3.42Å; K324-Y365 HydrophobicContact CB-CD1 3.89Å; K324-Y365 HydrophobicContact CB-CD2 3.75Å; K324-Y365 HydrophobicContact CB-CE1 3.81Å; K324-Y365 HydrophobicContact CB-CE2 3.66Å; K324-Y365 HydrophobicContact CB-CG 3.86Å
325	S	98.4	Very high	97.8	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.007	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-59.5	-22.5	-178.2	56.9	0	0	0	0	113.8	L275 S276 Y365 E396 Y411	L275-S325 WeakPolarHBondContact CB-O 2.97Å; L275-S325 PolarHBondContact N-O 3.27Å; S276-S325 WeakPolarHBondContact CB-OG 3.44Å; S276-S325 PolarHBondContact N-O 2.83Å; S276-S325 VanDerWaalsContact N-O 3.1Å; S325-Y365 PolarHBondContact OG-OH 3.3Å; S325-E396 WeakPolarHBondContact CB-OE2 3.39Å; S325-E396 VanDerWaalsContact OG-CD 3.28Å; S325-E396 PolarHBondContact OG-OE1 3.02Å; S325-E396 PolarHBondContact OG-OE2 2.8Å; S325-Y411 PolarHBondContact OG-OH 3.33Å
326	K	96.9	Very high	98	Very high	105 Å²	105	23.9 Å²	23.9	46%	0.457	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-73.3	-23.8	173.4	-164.2	170	-176.7	173.7	0	114.2	S274 K324	S274-K326 WeakPolarHBondContact CB-O 3.2Å; K324-K326 HydrophobicContact CG-CB 4.19Å; K324-K326 PolarHBondContact O-N 2.78Å
327	N	97.8	Very high	98.1	Very high	11 Å²	11	23.6 Å²	23.6	6%	0.059	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-99.4	3.2	180	-72.4	-1	0	0	0	112.5	D322 K324 A339 D340	D322-N327 PolarHBondContact O-ND2 3.29Å; D322-N327 PolarHBondContact OD2-ND2 2.82Å; D322-N327 VanDerWaalsContact OD2-ND2 3.11Å; K324-N327 WeakPolarHBondContact CE-ND2 3.36Å; K324-N327 WeakPolarHBondContact CE-OD1 3.48Å; K324-N327 HydrophobicContact CG-CB 4.08Å; K324-N327 PolarHBondContact O-N 2.68Å; N327-A339 WeakPolarHBondContact CB-O 3.37Å; N327-A339 PolarHBondContact O-N 2.7Å; N327-D340 HydrophobicContact CB-CB 4.49Å
328	V	98.8	Very high	98.2	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	116.3	169.7	-179.7	0	0	0	0	107.4	S274 L275 M296 K324 A336	S274-V328 CarbonylContact C-O 3.57Å; S274-V328 WeakPolarHBondContact CA-O 3.23Å; L275-V328 HydrophobicContact CB-CB 4.11Å; L275-V328 HydrophobicContact CB-CG1 4.23Å; L275-V328 HydrophobicContact CD2-CB 4.45Å; L275-V328 HydrophobicContact CD2-CG1 4.29Å; L275-V328 PolarHBondContact N-O 2.54Å; M296-V328 HydrophobicContact CG-CG1 4.31Å; M296-V328 HydrophobicContact CG-CG2 4.25Å; M296-V328 HydrophobicContact SD-CG1 4.19Å; M296-V328 HydrophobicContact SD-CG2 3.79Å; K324-V328 PolarHBondContact O-N 3.15Å; V328-A336 HydrophobicContact CG1-CB 3.83Å
329	L	98.6	Very high	98.1	Very high	35 Å²	35	24 Å²	24	18%	0.183	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	148.5	178.5	-57.5	-176.5	0	0	0	110.6	L247 G273 A336 C337 A339	L247-L329 HydrophobicContact CD1-CD1 3.91Å; L247-L329 HydrophobicContact CD2-CD1 3.8Å; L247-L329 HydrophobicContact CG-CD1 4.41Å; G273-L329 WeakPolarHBondContact O-CA 3.31Å; L329-A336 CarbonylContact O-C 3.58Å; L329-A336 WeakPolarHBondContact O-CA 3.16Å; L329-C337 PolarHBondContact N-O 2.9Å; L329-C337 PolarHBondContact O-N 3.41Å; L329-A339 HydrophobicContact CD1-CB 3.97Å; L329-A339 HydrophobicContact CG-CB 4.05Å
330	L	98.8	Very high	98	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.6	178.1	-60.6	-177.2	0	0	0	110.9	H270 K272 G273 L275 F278 I292 L334 A336	H270-L330 WeakPolarHBondContact CB-O 3.13Å; K272-L330 HydrophobicContact CB-CB 3.96Å; K272-L330 HydrophobicContact CD-CB 4.43Å; G273-L330 PolarHBondContact O-N 2.86Å; L275-L330 HydrophobicContact CD1-CD1 3.94Å; L275-L330 HydrophobicContact CD1-CD2 4.36Å; L275-L330 HydrophobicContact CD1-CG 4.45Å; F278-L330 HydrophobicContact CB-CD1 3.78Å; F278-L330 HydrophobicContact CD1-CD1 3.59Å; F278-L330 HydrophobicContact CD2-CD1 4.11Å; F278-L330 HydrophobicContact CE1-CD1 4.21Å; F278-L330 HydrophobicContact CG-CD1 3.53Å; I292-L330 HydrophobicContact CD1-CD1 4.37Å; I292-L330 HydrophobicContact CG1-CD2 4.17Å; I292-L330 HydrophobicContact CG2-CD2 3.89Å; L330-L334 HydrophobicContact CD1-CD2 4.06Å; L330-A336 HydrophobicContact CD2-CB 4.1Å
331	K	98.5	Very high	98	Very high	44 Å²	44	25.4 Å²	25.4	19%	0.191	13%	0.126	C	C	.	.			trans	-70.8	169.9	167.4	-61.3	-175.2	-167.4	175	0	110.5	E244 K272 N333 L334 T335	E244-K331 VanDerWaalsContact CG-NZ 3.3Å; E244-K331 WeakPolarHBondContact O-CE 3.48Å; E244-K331 PolarHBondContact O-NZ 3.07Å; K272-K331 WeakPolarHBondContact CD-O 3.44Å; K331-N333 WeakPolarHBondContact CB-OD1 3.18Å; K331-N333 PolarHBondContact O-N 3.38Å; K331-N333 VanDerWaalsContact O-N 3.13Å; K331-L334 WeakPolarHBondContact O-CA 3.47Å; K331-L334 PolarHBondContact O-N 2.87Å; K331-T335 WeakPolarHBondContact CB-O 3.38Å; K331-T335 HydrophobicContact CD-CG2 4.14Å; K331-T335 WeakPolarHBondContact CG-O 3.38Å; K331-T335 PolarHBondContact N-O 3.29Å
332	N	97.6	Very high	97.8	Very high	119 Å²	119	24.6 Å²	24.6	64%	0.636	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-31.9	-178.8	-71.1	-9.7	0	0	0	113.8	K272 L334	K272-N332 WeakPolarHBondContact CE-O 3.38Å; N332-L334 VanDerWaalsContact C-N 3.3Å
333	N	97.8	Very high	97.7	Very high	96 Å²	96	25.5 Å²	25.5	51%	0.513	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	18.1	176.2	69.7	-21.8	0	0	0	113.5	H291 K331 T335	H291-N333 PolarHBondContact NE2-O 3.44Å; K331-N333 WeakPolarHBondContact CB-OD1 3.18Å; K331-N333 PolarHBondContact O-N 3.38Å; K331-N333 VanDerWaalsContact O-N 3.13Å; N333-T335 PolarHBondContact ND2-OG1 3.02Å; N333-T335 PolarHBondContact O-N 3.26Å; N333-T335 VanDerWaalsContact O-N 3.1Å; N333-T335 VanDerWaalsContact OD1-CB 3.31Å; N333-T335 WeakPolarHBondContact OD1-CB 3.3Å; N333-T335 PolarHBondContact OD1-N 3.45Å; N333-T335 PolarHBondContact OD1-OG1 3.04Å
334	L	98.5	Very high	97.6	Very high	13 Å²	13	25.4 Å²	25.4	7%	0.068	13%	0.13	C	C	.	.			trans	62.8	8.8	-176.9	-57	173.7	0	0	0	115.5	K272 F278 E288 I292 L330 K331 N332 A336	K272-L334 HydrophobicContact CD-CD2 3.52Å; K272-L334 HydrophobicContact CD-CG 4.49Å; F278-L334 HydrophobicContact CE1-CD2 4.06Å; F278-L334 HydrophobicContact CE2-CD2 3.93Å; F278-L334 HydrophobicContact CZ-CD2 3.6Å; E288-L334 HydrophobicContact CB-CD1 3.97Å; E288-L334 HydrophobicContact CG-CD1 3.64Å; E288-L334 WeakPolarHBondContact OE1-CD1 3.42Å; I292-L334 HydrophobicContact CD1-CB 4.33Å; I292-L334 HydrophobicContact CD1-CD2 4.5Å; I292-L334 HydrophobicContact CG1-CB 3.98Å; I292-L334 WeakPolarHBondContact CG1-O 3.46Å; L330-L334 HydrophobicContact CD1-CD2 4.06Å; K331-L334 WeakPolarHBondContact O-CA 3.47Å; K331-L334 PolarHBondContact O-N 2.87Å; N332-L334 VanDerWaalsContact C-N 3.3Å; L334-A336 PolarHBondContact O-N 2.89Å
335	T	98.8	Very high	97.5	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.012	13%	0.131	C	C	.	.			trans	-61.4	122.9	167.4	-66	0	0	0	0	109.1	E244 N245 H291 T295 K331 N333	E244-T335 HydrophobicContact CG-CG2 4.3Å; N245-T335 VanDerWaalsContact ND2-CG2 3.29Å; N245-T335 WeakPolarHBondContact ND2-CG2 3.35Å; H291-T335 PolarHBondContact NE2-N 3.18Å; H291-T335 PolarHBondContact NE2-OG1 2.68Å; T295-T335 HydrophobicContact CG2-CG2 3.94Å; K331-T335 WeakPolarHBondContact CB-O 3.38Å; K331-T335 HydrophobicContact CD-CG2 4.14Å; K331-T335 WeakPolarHBondContact CG-O 3.38Å; K331-T335 PolarHBondContact N-O 3.29Å; N333-T335 PolarHBondContact ND2-OG1 3.02Å; N333-T335 PolarHBondContact O-N 3.26Å; N333-T335 VanDerWaalsContact O-N 3.1Å; N333-T335 VanDerWaalsContact OD1-CB 3.31Å; N333-T335 WeakPolarHBondContact OD1-CB 3.3Å; N333-T335 PolarHBondContact OD1-N 3.45Å; N333-T335 PolarHBondContact OD1-OG1 3.04Å
336	A	98.9	Very high	97.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	144.8	176.9	0	0	0	0	0	111.7	N245 I292 T295 M296 V328 L329 L330 L334	N245-A336 WeakPolarHBondContact CA-O 3.4Å; N245-A336 PolarHBondContact ND2-O 2.97Å; I292-A336 HydrophobicContact CG2-CB 4.33Å; T295-A336 WeakPolarHBondContact OG1-CB 3.35Å; T295-A336 PolarHBondContact OG1-N 3.33Å; M296-A336 HydrophobicContact CB-CB 3.91Å; V328-A336 HydrophobicContact CG1-CB 3.83Å; L329-A336 CarbonylContact O-C 3.58Å; L329-A336 WeakPolarHBondContact O-CA 3.16Å; L330-A336 HydrophobicContact CD2-CB 4.1Å; L334-A336 PolarHBondContact O-N 2.89Å
337	C	98.8	Very high	97.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141.7	166.7	62.7	0	0	0	0	111.6	N245 L329	N245-C337 VanDerWaalsContact O-CA 3.31Å; N245-C337 WeakPolarHBondContact O-CA 3.45Å; L329-C337 PolarHBondContact N-O 2.9Å; L329-C337 PolarHBondContact O-N 3.41Å
338	I	98.8	Very high	96.7	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	135.8	-177.1	-60.2	175.7	0	0	0	110.2	N245 L247 L300 L303 H320 I323 F341	N245-I338 PolarHBondContact O-N 2.69Å; L247-I338 WeakPolarHBondContact CB-O 3.44Å; L247-I338 PolarHBondContact N-O 3.4Å; L300-I338 HydrophobicContact CB-CD1 3.78Å; L300-I338 HydrophobicContact CD1-CD1 4.28Å; L300-I338 VanDerWaalsContact N-CD1 3.3Å; L303-I338 HydrophobicContact CD1-CB 4.41Å; L303-I338 HydrophobicContact CD1-CD1 3.92Å; L303-I338 HydrophobicContact CD1-CG2 4.02Å; H320-I338 WeakPolarHBondContact CD2-CG2 3.39Å; H320-I338 WeakPolarHBondContact NE2-CG2 3.29Å; I323-I338 HydrophobicContact CD1-CD1 4.46Å; I323-I338 HydrophobicContact CD1-CG2 4.12Å; I338-F341 HydrophobicContact CG2-CE1 4.36Å; I338-F341 HydrophobicContact CG2-CZ 4.11Å
339	A	97.5	Very high	95.9	Very high	8 Å²	8	31.1 Å²	31.1	7%	0.066	17%	0.174	C	C	.	.			trans	-135.3	169.1	-176.2	0	0	0	0	0	112	L247 H320 N327 L329	L247-A339 HydrophobicContact CB-CB 3.94Å; L247-A339 HydrophobicContact CD2-CB 3.59Å; L247-A339 HydrophobicContact CG-CB 4.38Å; H320-A339 PolarHBondContact NE2-O 3.41Å; N327-A339 WeakPolarHBondContact CB-O 3.37Å; N327-A339 PolarHBondContact O-N 2.7Å; L329-A339 HydrophobicContact CD1-CB 3.97Å; L329-A339 HydrophobicContact CG-CB 4.05Å
340	D	95.4	Very high	95.1	Very high	29 Å²	29	33.8 Å²	33.8	16%	0.155	21%	0.211	C	C	.	.			trans	68.6	71.6	179	-157.4	-14.1	0	0	0	114.7	K219 E232 H320 N327 G342	K219-D340 IonicContact NZ-OD1 3.62Å; K219-D340 PolarHBondContact NZ-OD1 3.25Å; K219-D340 IonicContact NZ-OD2 2.69Å; K219-D340 PolarHBondContact NZ-OD2 3.26Å; E232-D340 WeakPolarHBondContact OE1-CA 3.43Å; H320-D340 PolarHBondContact CE1-O 2.87Å; H320-D340 PolarHBondContact NE2-O 3.26Å; N327-D340 HydrophobicContact CB-CB 4.49Å; D340-G342 PolarHBondContact O-N 2.68Å; D340-G342 PolarHBondContact OD1-N 2.55Å
341	F	96.6	Very high	94.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.241	C	C	.	.			trans	-85	20.5	176.3	-58.4	-84.7	0	0	0	113.3	N231 E232 V235 Y236 M241 I246 L303 H320 I338 L343 A344	N231-F341 PolarHBondContact ND2-O 3.1Å; E232-F341 HydrophobicContact CB-CB 4.49Å; E232-F341 HydrophobicContact CG-CB 4.05Å; E232-F341 PolarHBondContact OE1-N 2.88Å; V235-F341 HydrophobicContact CB-CB 4Å; V235-F341 HydrophobicContact CB-CG 4.47Å; V235-F341 HydrophobicContact CG1-CB 3.74Å; V235-F341 HydrophobicContact CG1-CD1 3.74Å; V235-F341 HydrophobicContact CG1-CD2 4.44Å; V235-F341 HydrophobicContact CG1-CE1 4.5Å; V235-F341 HydrophobicContact CG1-CG 3.7Å; Y236-F341 HydrophobicContact CD1-CD2 4.16Å; Y236-F341 HydrophobicContact CD1-CE2 4.18Å; Y236-F341 HydrophobicContact CD2-CD2 4.37Å; Y236-F341 AromaticContact CE1-CD2 3.55Å; Y236-F341 HydrophobicContact CE1-CD2 3.55Å; Y236-F341 AromaticContact CE1-CE2 3.37Å; Y236-F341 HydrophobicContact CE1-CE2 3.37Å; Y236-F341 AromaticContact CE2-CD2 3.77Å; Y236-F341 HydrophobicContact CE2-CD2 3.77Å; Y236-F341 HydrophobicContact CE2-CE2 4.39Å; Y236-F341 AromaticContact CZ-CD2 3.32Å; Y236-F341 AromaticContact CZ-CE2 3.51Å; Y236-F341 WeakPolarHBondContact OH-CD2 3.37Å; Y236-F341 WeakPolarHBondContact OH-CE2 3.35Å; M241-F341 HydrophobicContact CE-CZ 4.45Å; I246-F341 HydrophobicContact CG2-CE2 4.03Å; I246-F341 HydrophobicContact CG2-CZ 3.89Å; L303-F341 HydrophobicContact CD1-CE1 3.69Å; L303-F341 HydrophobicContact CD1-CZ 4.2Å; L303-F341 HydrophobicContact CD2-CE1 3.62Å; L303-F341 HydrophobicContact CD2-CZ 4.1Å; L303-F341 HydrophobicContact CG-CE1 4.32Å; H320-F341 AromaticContact CD2-CD1 3.99Å; H320-F341 AromaticContact CD2-CE1 3.77Å; I338-F341 HydrophobicContact CG2-CE1 4.36Å; I338-F341 HydrophobicContact CG2-CZ 4.11Å; F341-L343 PolarHBondContact O-N 3.48Å; F341-L343 VanDerWaalsContact O-N 3.08Å; F341-A344 HydrophobicContact CB-CB 3.85Å; F341-A344 HydrophobicContact CD1-CB 3.91Å; F341-A344 HydrophobicContact CG-CB 4.4Å; F341-A344 PolarHBondContact O-N 2.62Å
342	G	94.2	Very high	93.5	Very high	6 Å²	6	43.7 Å²	43.7	6%	0.062	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-15.1	-177.7	0	0	0	0	0	115	S228 D340	S228-G342 WeakPolarHBondContact OG-CA 3.35Å; S228-G342 PolarHBondContact OG-O 3.49Å; D340-G342 PolarHBondContact O-N 2.68Å; D340-G342 PolarHBondContact OD1-N 2.55Å
343	L	94.5	Very high	92.6	Very high	27 Å²	27	38.6 Å²	38.6	14%	0.141	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	0	177.3	-68.8	178.9	0	0	0	113.9	F203 D322 F341 V360	F203-L343 HydrophobicContact CZ-CD2 4.44Å; F203-L343 HydrophobicContact CZ-CG 4.32Å; D322-L343 HydrophobicContact CB-CD1 4.02Å; F341-L343 PolarHBondContact O-N 3.48Å; F341-L343 VanDerWaalsContact O-N 3.08Å; L343-V360 HydrophobicContact CD1-CB 4.44Å; L343-V360 HydrophobicContact CD1-CG2 4.39Å; L343-V360 HydrophobicContact CD2-CB 4.37Å; L343-V360 HydrophobicContact CD2-CG2 4.36Å
344	A	96.6	Very high	91.5	Very high	4 Å²	4	35.8 Å²	35.8	3%	0.033	24%	0.235	C	C	.	.			trans	-65.3	146.9	-173.9	0	0	0	0	0	111.7	N231 V235 I318 S319 H320 F341	N231-A344 PolarHBondContact ND2-N 3.26Å; N231-A344 PolarHBondContact ND2-O 2.78Å; N231-A344 PolarHBondContact OD1-O 3.1Å; V235-A344 HydrophobicContact CG2-CB 4.14Å; I318-A344 HydrophobicContact CG2-CB 4Å; S319-A344 CarbonylContact O-C 3.51Å; S319-A344 WeakPolarHBondContact O-CA 3.16Å; S319-A344 WeakPolarHBondContact O-CB 3.26Å; H320-A344 WeakPolarHBondContact O-CA 3.39Å; F341-A344 HydrophobicContact CB-CB 3.85Å; F341-A344 HydrophobicContact CD1-CB 3.91Å; F341-A344 HydrophobicContact CG-CB 4.4Å; F341-A344 PolarHBondContact O-N 2.62Å
345	L	95.5	Very high	90.3	Very high	28 Å²	28	43.1 Å²	43.1	15%	0.147	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	120.1	179.9	177.3	69.6	0	0	0	109.5	I318 S319 F347 A353 T356 F382	I318-L345 WeakPolarHBondContact CA-O 3.35Å; S319-L345 PolarHBondContact N-O 2.83Å; S319-L345 PolarHBondContact O-N 3.42Å; L345-F347 HydrophobicContact CB-CZ 4.44Å; L345-F347 HydrophobicContact CD2-CD1 4.39Å; L345-F347 HydrophobicContact CD2-CE1 3.44Å; L345-F347 VanDerWaalsContact CD2-CE1 3.44Å; L345-F347 HydrophobicContact CD2-CZ 3.61Å; L345-F347 HydrophobicContact CG-CE1 3.94Å; L345-F347 HydrophobicContact CG-CZ 4Å; L345-A353 HydrophobicContact CD2-CB 4.17Å; L345-T356 HydrophobicContact CD1-CG2 4.16Å; L345-T356 HydrophobicContact CD2-CG2 4.08Å; L345-F382 HydrophobicContact CD2-CD1 4.39Å; L345-F382 HydrophobicContact CD2-CD2 4.03Å; L345-F382 HydrophobicContact CD2-CE1 4.34Å; L345-F382 HydrophobicContact CD2-CE2 3.97Å; L345-F382 HydrophobicContact CD2-CG 4.25Å; L345-F382 HydrophobicContact CD2-CZ 4.13Å
346	K	94.7	Very high	89.5	Confident	64 Å²	64	44.6 Å²	44.6	28%	0.278	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	136.4	172.8	63.5	-177.1	178.8	179	0	110.8	E234 L238 P316 I318 E348	E234-K346 IonicContact OE2-NZ 3.61Å; L238-K346 HydrophobicContact CD1-CB 4.35Å; L238-K346 HydrophobicContact CD1-CD 4.38Å; L238-K346 HydrophobicContact CD2-CD 4.44Å; P316-K346 HydrophobicContact CG-CB 4.25Å; I318-K346 HydrophobicContact CG1-CB 4.32Å; K346-E348 HydrophobicContact CD-CG 4.41Å; K346-E348 WeakPolarHBondContact CD-OE1 3.41Å; K346-E348 VanDerWaalsContact CE-OE1 3.32Å; K346-E348 WeakPolarHBondContact CE-OE1 3.42Å; K346-E348 HydrophobicContact CG-CG 4.42Å; K346-E348 IonicContact NZ-OE1 3.58Å; K346-E348 PolarHBondContact NZ-OE1 2.92Å
347	F	94.1	Very high	88.7	Confident	25 Å²	25	52 Å²	52	11%	0.11	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	97.2	178.6	-59.4	-75.1	0	0	0	110.2	P316 A317 S319 L345 A353 R379 F382 L383	P316-F347 VanDerWaalsContact CB-O 3.27Å; P316-F347 WeakPolarHBondContact CB-O 3.27Å; A317-F347 HydrophobicContact CB-CB 4.48Å; A317-F347 HydrophobicContact CB-CD2 4.22Å; A317-F347 WeakPolarHBondContact O-CD2 3.45Å; A317-F347 PolarHBondContact O-N 2.88Å; S319-F347 WeakPolarHBondContact OG-CE2 3.35Å; S319-F347 WeakPolarHBondContact OG-CZ 3.33Å; L345-F347 HydrophobicContact CB-CZ 4.44Å; L345-F347 HydrophobicContact CD2-CD1 4.39Å; L345-F347 HydrophobicContact CD2-CE1 3.44Å; L345-F347 VanDerWaalsContact CD2-CE1 3.44Å; L345-F347 HydrophobicContact CD2-CZ 3.61Å; L345-F347 HydrophobicContact CG-CE1 3.94Å; L345-F347 HydrophobicContact CG-CZ 4Å; F347-A353 HydrophobicContact CE1-CB 4.32Å; F347-R379 HydrophobicContact CB-CB 4.49Å; F347-R379 HydrophobicContact CB-CG 4.07Å; F347-R379 HydrophobicContact CD1-CB 3.91Å; F347-R379 HydrophobicContact CD1-CG 4.04Å; F347-R379 HydrophobicContact CD2-CB 4.38Å; F347-R379 HydrophobicContact CD2-CG 3.61Å; F347-R379 HydrophobicContact CE1-CB 4.23Å; F347-R379 HydrophobicContact CE1-CG 4.43Å; F347-R379 HydrophobicContact CE2-CG 4.01Å; F347-R379 HydrophobicContact CG-CB 4.01Å; F347-R379 HydrophobicContact CG-CG 3.63Å; F347-R379 HydrophobicContact CZ-CG 4.42Å; F347-F382 HydrophobicContact CE1-CB 4.41Å; F347-F382 AromaticContact CE1-CD2 3.82Å; F347-F382 HydrophobicContact CE1-CD2 3.82Å; F347-F382 HydrophobicContact CE1-CG 4.38Å; F347-F382 HydrophobicContact CE2-CB 4.32Å; F347-F382 HydrophobicContact CZ-CB 3.54Å; F347-F382 AromaticContact CZ-CD2 3.79Å; F347-F382 HydrophobicContact CZ-CD2 3.79Å; F347-F382 AromaticContact CZ-CG 3.89Å; F347-F382 HydrophobicContact CZ-CG 3.89Å; F347-L383 HydrophobicContact CE2-CD2 4.07Å
348	E	87	Confident	87.8	Confident	55 Å²	55	52.6 Å²	52.6	26%	0.257	32%	0.324	S	S	.	.			trans	-93.5	141.8	179.2	-66.4	173.6	161	0	0	110.6	K346 G350 K351	K346-E348 HydrophobicContact CD-CG 4.41Å; K346-E348 WeakPolarHBondContact CD-OE1 3.41Å; K346-E348 VanDerWaalsContact CE-OE1 3.32Å; K346-E348 WeakPolarHBondContact CE-OE1 3.42Å; K346-E348 HydrophobicContact CG-CG 4.42Å; K346-E348 IonicContact NZ-OE1 3.58Å; K346-E348 PolarHBondContact NZ-OE1 2.92Å; E348-G350 PolarHBondContact O-N 3.24Å; E348-K351 HydrophobicContact CB-CB 4.42Å; E348-K351 HydrophobicContact CB-CD 4.13Å; E348-K351 HydrophobicContact CB-CG 4.29Å; E348-K351 PolarHBondContact O-N 3.01Å; E348-K351 VanDerWaalsContact O-N 3.1Å; E348-K351 WeakPolarHBondContact OE2-CD 3.23Å; E348-K351 WeakPolarHBondContact OE2-CE 3.43Å; E348-K351 IonicContact OE2-NZ 3.97Å; E348-K351 PolarHBondContact OE2-NZ 3.16Å
349	A	82.8	Confident	87.2	Confident	96 Å²	96	56.8 Å²	56.8	79%	0.793	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	129.7	179.5	0	0	0	0	0	111.4	K351	A349-K351 VanDerWaalsContact C-N 3.27Å; A349-K351 PolarHBondContact O-N 3.37Å
350	G	81.1	Confident	86.9	Confident	92 Å²	92	58.1 Å²	58.1	95%	0.948	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-1.9	179.7	0	0	0	0	0	115.5	E348	E348-G350 PolarHBondContact O-N 3.24Å
351	K	83.4	Confident	86.7	Confident	146 Å²	146	57.9 Å²	57.9	64%	0.635	36%	0.355	S	S	*	.			trans	-99.5	127.8	173.1	-63	-165.7	-172.9	172.8	0	110.7	E348 A349	E348-K351 HydrophobicContact CB-CB 4.42Å; E348-K351 HydrophobicContact CB-CD 4.13Å; E348-K351 HydrophobicContact CB-CG 4.29Å; E348-K351 PolarHBondContact O-N 3.01Å; E348-K351 VanDerWaalsContact O-N 3.1Å; E348-K351 WeakPolarHBondContact OE2-CD 3.23Å; E348-K351 WeakPolarHBondContact OE2-CE 3.43Å; E348-K351 IonicContact OE2-NZ 3.97Å; E348-K351 PolarHBondContact OE2-NZ 3.16Å; A349-K351 VanDerWaalsContact C-N 3.27Å; A349-K351 PolarHBondContact O-N 3.37Å
352	S	80.6	Confident	86.6	Confident	106 Å²	106	60 Å²	60	74%	0.741	37%	0.369	S	S	*	.			trans	-77.7	143.6	174.3	-179.3	0	0	0	0	110.6	G354	S352-G354 PolarHBondContact OG-N 2.72Å; S352-G354 VanDerWaalsContact OG-N 3.09Å
353	A	79.6	Confident	86.6	Confident	11 Å²	11	66 Å²	66	9%	0.091	39%	0.389	C	S	.	.	S	Bend	trans	-82.8	3	170	0	0	0	0	0	113	L345 F347 D355 T356 F382	L345-A353 HydrophobicContact CD2-CB 4.17Å; F347-A353 HydrophobicContact CE1-CB 4.32Å; A353-D355 VanDerWaalsContact C-N 3.29Å; A353-D355 PolarHBondContact O-N 3.26Å; A353-T356 WeakPolarHBondContact O-CB 3.49Å; A353-T356 PolarHBondContact O-N 3.11Å; A353-T356 PolarHBondContact O-OG1 3.47Å; A353-F382 HydrophobicContact CB-CE2 3.94Å
354	G	74.3	Confident	86.8	Confident	38 Å²	38	65.2 Å²	65.2	39%	0.392	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.8	-169.6	0	0	0	0	0	116.2	S352 T356	S352-G354 PolarHBondContact OG-N 2.72Å; S352-G354 VanDerWaalsContact OG-N 3.09Å; G354-T356 VanDerWaalsContact C-N 3.28Å; G354-T356 PolarHBondContact O-N 3.13Å
355	D	74.1	Confident	86.9	Confident	166 Å²	166	65.8 Å²	65.8	89%	0.888	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	0.3	177.5	-63.2	-29.8	0	0	0	113	A353	A353-D355 VanDerWaalsContact C-N 3.29Å; A353-D355 PolarHBondContact O-N 3.26Å
356	T	81.2	Confident	87	Confident	34 Å²	34	65.1 Å²	65.1	21%	0.209	38%	0.382	C	S	.	.	S	Bend	trans	-76.9	133	-177.3	-50.4	0	0	0	0	110.6	L345 A353 G354 G358 F377	L345-T356 HydrophobicContact CD1-CG2 4.16Å; L345-T356 HydrophobicContact CD2-CG2 4.08Å; A353-T356 WeakPolarHBondContact O-CB 3.49Å; A353-T356 PolarHBondContact O-N 3.11Å; A353-T356 PolarHBondContact O-OG1 3.47Å; G354-T356 VanDerWaalsContact C-N 3.28Å; G354-T356 PolarHBondContact O-N 3.13Å; T356-G358 PolarHBondContact O-N 3.38Å; T356-G358 VanDerWaalsContact O-N 3.09Å; T356-F377 WeakPolarHBondContact O-CE1 3.36Å
357	H	81.1	Confident	87.1	Confident	154 Å²	154	62 Å²	62	71%	0.713	37%	0.369	S	S	*	.			trans	-61.8	114.7	169.7	-69.4	-62.8	0	0	0	110.7	R321 V360	R321-H357 PolarHBondContact NH1-O 3.2Å; R321-H357 PolarHBondContact NH2-O 2.87Å; H357-V360 HydrophobicContact CB-CG1 3.92Å
358	G	80.5	Confident	87.3	Confident	13 Å²	13	60.9 Å²	60.9	13%	0.134	36%	0.364	C	S	.	.	S	Bend	trans	-69	-47.8	-176.9	0	0	0	0	0	114.5	R321 T356 V360 I375	R321-G358 PolarHBondContact NH2-O 3.5Å; T356-G358 PolarHBondContact O-N 3.38Å; T356-G358 VanDerWaalsContact O-N 3.09Å; G358-V360 PolarHBondContact O-N 3.3Å; G358-I375 WeakPolarHBondContact O-CD1 3.23Å
359	Q	86.7	Confident	87.8	Confident	91 Å²	91	59.4 Å²	59.4	43%	0.425	36%	0.357	S	S	.	.	S	Bend	trans	-85.9	74.1	-174.2	-167.9	175	70.9	0	0	112.2	V370 L371	Q359-V370 HydrophobicContact CG-CG1 4.46Å; Q359-V370 PolarHBondContact NE2-O 3.39Å; Q359-V370 VanDerWaalsContact NE2-O 3.14Å; Q359-L371 PolarHBondContact NE2-O 2.88Å
360	V	90.7	Very high	88.5	Confident	36 Å²	36	55 Å²	55	22%	0.218	32%	0.32	C	S	.	.			trans	-130	162.3	174.8	-51.2	0	0	0	0	110.7	L343 H357 G358	L343-V360 HydrophobicContact CD1-CB 4.44Å; L343-V360 HydrophobicContact CD1-CG2 4.39Å; L343-V360 HydrophobicContact CD2-CB 4.37Å; L343-V360 HydrophobicContact CD2-CG2 4.36Å; H357-V360 HydrophobicContact CB-CG1 3.92Å; G358-V360 PolarHBondContact O-N 3.3Å
361	G	91.2	Very high	89.2	Confident	24 Å²	24	50.6 Å²	50.6	25%	0.247	27%	0.274	C	S	.	.	S	Bend	trans	116.1	-173.4	-178.5	0	0	0	0	0	112.2	R321 M366	R321-G361 WeakPolarHBondContact O-CA 3.31Å; G361-M366 WeakPolarHBondContact O-CE 3.38Å
362	T	93.8	Very high	89.8	Confident	45 Å²	45	48.5 Å²	48.5	28%	0.276	27%	0.267	S	S	.	.			trans	-84.9	114.5	176.2	-56.9	0	0	0	0	109.7	D322 K324 R364 Y365 M366	D322-T362 WeakPolarHBondContact OD1-CB 3.28Å; D322-T362 PolarHBondContact OD1-N 3.48Å; D322-T362 PolarHBondContact OD1-OG1 3.28Å; K324-T362 HydrophobicContact CD-CG2 4.26Å; K324-T362 WeakPolarHBondContact CD-OG1 3.41Å; K324-T362 PolarHBondContact NZ-OG1 3.42Å; T362-R364 PolarHBondContact O-N 3.06Å; T362-Y365 HydrophobicContact CG2-CD2 3.83Å; T362-Y365 HydrophobicContact CG2-CE2 4.33Å; T362-Y365 PolarHBondContact O-N 3.48Å; T362-M366 PolarHBondContact O-N 3.07Å
363	R	95.7	Very high	90.3	Very high	130 Å²	130	46 Å²	46	49%	0.491	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-42.4	-46.4	-172.8	-64.5	178.7	-172.5	146	-1.7	114.5	Y365 M366 M428	R363-Y365 PolarHBondContact O-N 2.98Å; R363-Y365 VanDerWaalsContact O-N 3.15Å; R363-M366 HydrophobicContact CG-CE 4.22Å; R363-M366 HydrophobicContact CG-SD 4.47Å; R363-M366 WeakPolarHBondContact O-CB 3.49Å; R363-M366 PolarHBondContact O-N 2.86Å; R363-M366 VanDerWaalsContact O-N 3.12Å; R363-M428 HydrophobicContact CB-CG 4.18Å
364	R	97.3	Very high	90.9	Very high	12 Å²	12	48.7 Å²	48.7	5%	0.045	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-55.5	-29.4	178.8	-174.3	-178.3	-64.1	-71	5.3	114.7	T362 P414 F415 G420 Q421	T362-R364 PolarHBondContact O-N 3.06Å; R364-P414 WeakPolarHBondContact CD-O 3.46Å; R364-P414 HydrophobicContact CG-CB 4.41Å; R364-P414 WeakPolarHBondContact CG-O 3.41Å; R364-P414 PolarHBondContact NH1-O 3.07Å; R364-F415 HydrophobicContact CG-CD2 4.38Å; R364-G420 PolarHBondContact NH1-O 3.32Å; R364-G420 PolarHBondContact NH2-O 3.49Å; R364-Q421 PolarHBondContact NH2-O 3.29Å
365	Y	98.4	Very high	91.5	Very high	16 Å²	16	47.4 Å²	47.4	6%	0.063	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-104.8	0.9	-176.2	-63.9	-94.7	0	0	0	112.9	K324 S325 T362 R363 L392 V393 E396 P414	K324-Y365 HydrophobicContact CB-CD1 3.89Å; K324-Y365 HydrophobicContact CB-CD2 3.75Å; K324-Y365 HydrophobicContact CB-CE1 3.81Å; K324-Y365 HydrophobicContact CB-CE2 3.66Å; K324-Y365 HydrophobicContact CB-CG 3.86Å; S325-Y365 PolarHBondContact OG-OH 3.3Å; T362-Y365 HydrophobicContact CG2-CD2 3.83Å; T362-Y365 HydrophobicContact CG2-CE2 4.33Å; T362-Y365 PolarHBondContact O-N 3.48Å; R363-Y365 PolarHBondContact O-N 2.98Å; R363-Y365 VanDerWaalsContact O-N 3.15Å; Y365-L392 HydrophobicContact CD1-CB 4.02Å; Y365-L392 HydrophobicContact CD1-CD1 4.01Å; Y365-L392 HydrophobicContact CE1-CB 4.24Å; Y365-L392 HydrophobicContact CG-CD1 4.43Å; Y365-V393 HydrophobicContact CE1-CG2 4.13Å; Y365-E396 WeakPolarHBondContact CE1-OE1 3.45Å; Y365-E396 PolarHBondContact OH-OE1 3.43Å; Y365-P414 HydrophobicContact CE1-CG 3.94Å
366	M	98	Very high	92.2	Very high	13 Å²	13	43.6 Å²	43.6	6%	0.064	24%	0.244	C	C	.	.			trans	-70.9	135.1	-179.2	-70.8	-177.6	-178.4	0	0	110.9	G361 T362 R363 V370 L371 Y388	G361-M366 WeakPolarHBondContact O-CE 3.38Å; T362-M366 PolarHBondContact O-N 3.07Å; R363-M366 HydrophobicContact CG-CE 4.22Å; R363-M366 HydrophobicContact CG-SD 4.47Å; R363-M366 WeakPolarHBondContact O-CB 3.49Å; R363-M366 PolarHBondContact O-N 2.86Å; R363-M366 VanDerWaalsContact O-N 3.12Å; M366-V370 HydrophobicContact CB-CB 4.17Å; M366-V370 HydrophobicContact CB-CG1 4.11Å; M366-V370 HydrophobicContact CG-CG1 3.98Å; M366-V370 HydrophobicContact SD-CG1 3.86Å; M366-L371 HydrophobicContact CB-CD2 3.78Å; M366-L371 HydrophobicContact CB-CG 3.86Å; M366-L371 HydrophobicContact CG-CD2 4.49Å; M366-L371 HydrophobicContact SD-CD2 4.01Å; M366-Y388 VanDerWaalsContact O-CE1 3.26Å; M366-Y388 WeakPolarHBondContact O-CE1 3.26Å
367	A	98.2	Very high	92.6	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.251	C	S	.	.			trans	-66.1	155.9	172.8	0	0	0	0	0	111.7	E369 V370 L371 I385 Y388	A367-E369 VanDerWaalsContact C-N 3.3Å; A367-E369 WeakPolarHBondContact CB-OE1 3.23Å; A367-E369 WeakPolarHBondContact CB-OE2 3.13Å; A367-E369 PolarHBondContact O-N 2.88Å; A367-V370 HydrophobicContact CB-CG2 4.17Å; A367-V370 WeakPolarHBondContact O-CB 3.44Å; A367-V370 PolarHBondContact O-N 3.11Å; A367-L371 PolarHBondContact O-N 3.15Å; A367-L371 VanDerWaalsContact O-N 3.1Å; A367-I385 HydrophobicContact CB-CG1 4.32Å; A367-I385 HydrophobicContact CB-CG2 4.44Å; A367-Y388 VanDerWaalsContact CA-CD1 3.46Å; A367-Y388 HydrophobicContact CB-CD1 3.93Å; A367-Y388 HydrophobicContact CB-CD2 4.33Å; A367-Y388 HydrophobicContact CB-CG 3.73Å
368	P	98	Very high	93.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-49	-47.2	179.9	-25.9	31	0	0	0	113.7	V370 L371 E372 Y388 V432 V433	P368-V370 PolarHBondContact O-N 2.89Å; P368-L371 WeakPolarHBondContact O-CB 3.45Å; P368-L371 PolarHBondContact O-N 3.47Å; P368-L371 VanDerWaalsContact O-N 3.09Å; P368-E372 WeakPolarHBondContact O-CG 3.37Å; P368-E372 PolarHBondContact O-N 3.15Å; P368-Y388 HydrophobicContact CG-CE2 4.27Å; P368-V432 HydrophobicContact CB-CG1 4.44Å; P368-V432 HydrophobicContact CG-CG1 3.86Å; P368-V433 HydrophobicContact CB-CG2 4.25Å
369	E	96.9	Very high	93.7	Very high	24 Å²	24	48.5 Å²	48.5	11%	0.112	26%	0.256	C	S	.	.	H	α-helix	trans	-65.1	-25	-178.8	66.3	-84.7	-161.5	0	0	113.2	A367 G373 A374 I375 I385 R469	A367-E369 VanDerWaalsContact C-N 3.3Å; A367-E369 WeakPolarHBondContact CB-OE1 3.23Å; A367-E369 WeakPolarHBondContact CB-OE2 3.13Å; A367-E369 PolarHBondContact O-N 2.88Å; E369-G373 PolarHBondContact O-N 3.15Å; E369-A374 PolarHBondContact O-N 3.27Å; E369-I375 HydrophobicContact CG-CG1 4.43Å; E369-I375 WeakPolarHBondContact O-CG1 3.45Å; E369-I385 HydrophobicContact CG-CG1 4.39Å; E369-I385 WeakPolarHBondContact OE1-CG1 3.39Å; E369-R469 IonicContact OE1-CZ 3.28Å; E369-R469 IonicContact OE1-NH1 3.59Å; E369-R469 PolarHBondContact OE1-NH1 2.76Å; E369-R469 IonicContact OE1-NH2 2.65Å; E369-R469 PolarHBondContact OE1-NH2 2.85Å; E369-R469 IonicContact OE2-CZ 3.81Å; E369-R469 IonicContact OE2-NH1 2.73Å; E369-R469 PolarHBondContact OE2-NH1 3.48Å; E369-R469 IonicContact OE2-NH2 3.66Å; E369-R469 PolarHBondContact OE2-NH2 2.97Å
370	V	97.1	Very high	94.1	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.012	26%	0.255	C	S	.	.	H	α-helix	trans	-77.6	-41.8	174.5	-176.5	0	0	0	0	110.5	Q359 M366 A367 P368 E372 G373 I375 I385	Q359-V370 HydrophobicContact CG-CG1 4.46Å; Q359-V370 PolarHBondContact NE2-O 3.39Å; Q359-V370 VanDerWaalsContact NE2-O 3.14Å; M366-V370 HydrophobicContact CB-CB 4.17Å; M366-V370 HydrophobicContact CB-CG1 4.11Å; M366-V370 HydrophobicContact CG-CG1 3.98Å; M366-V370 HydrophobicContact SD-CG1 3.86Å; A367-V370 HydrophobicContact CB-CG2 4.17Å; A367-V370 WeakPolarHBondContact O-CB 3.44Å; A367-V370 PolarHBondContact O-N 3.11Å; P368-V370 PolarHBondContact O-N 2.89Å; V370-E372 VanDerWaalsContact C-N 3.33Å; V370-G373 PolarHBondContact O-N 3.01Å; V370-I375 HydrophobicContact CB-CD1 4.08Å; V370-I375 HydrophobicContact CB-CG1 4.44Å; V370-I375 HydrophobicContact CG1-CD1 4.1Å; V370-I375 HydrophobicContact CG2-CD1 3.73Å; V370-I375 HydrophobicContact CG2-CG1 4.08Å; V370-I385 HydrophobicContact CG2-CB 4.38Å; V370-I385 HydrophobicContact CG2-CD1 3.39Å; V370-I385 HydrophobicContact CG2-CG1 3.63Å; V370-I385 HydrophobicContact CG2-CG2 3.81Å
371	L	97.1	Very high	94.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.7	-38.2	176.5	-66.9	171.2	0	0	0	111.3	Q359 M366 A367 P368 G373 L425 M428 Q429 V432 V433	Q359-L371 PolarHBondContact NE2-O 2.88Å; M366-L371 HydrophobicContact CB-CD2 3.78Å; M366-L371 HydrophobicContact CB-CG 3.86Å; M366-L371 HydrophobicContact CG-CD2 4.49Å; M366-L371 HydrophobicContact SD-CD2 4.01Å; A367-L371 PolarHBondContact O-N 3.15Å; A367-L371 VanDerWaalsContact O-N 3.1Å; P368-L371 WeakPolarHBondContact O-CB 3.45Å; P368-L371 PolarHBondContact O-N 3.47Å; P368-L371 VanDerWaalsContact O-N 3.09Å; L371-G373 VanDerWaalsContact C-N 3.28Å; L371-G373 PolarHBondContact O-N 3.04Å; L371-L425 HydrophobicContact CD2-CD1 3.66Å; L371-M428 HydrophobicContact CD1-CB 4.04Å; L371-M428 HydrophobicContact CD2-CB 3.69Å; L371-Q429 HydrophobicContact CB-CG 4.05Å; L371-Q429 PolarHBondContact O-NE2 3.24Å; L371-V432 HydrophobicContact CD1-CB 3.77Å; L371-V432 HydrophobicContact CD1-CG1 3.84Å; L371-V432 HydrophobicContact CD1-CG2 4.32Å; L371-V433 HydrophobicContact CB-CG2 3.82Å; L371-V433 HydrophobicContact CD1-CG2 4.15Å
372	E	94.5	Very high	94.6	Very high	102 Å²	102	46 Å²	46	48%	0.477	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-14.6	175.6	-69.8	176.8	127.1	0	0	113.5	P368 V370 A374 V433	P368-E372 WeakPolarHBondContact O-CG 3.37Å; P368-E372 PolarHBondContact O-N 3.15Å; V370-E372 VanDerWaalsContact C-N 3.33Å; E372-A374 HydrophobicContact CB-CB 4.03Å; E372-A374 PolarHBondContact O-N 2.88Å; E372-V433 HydrophobicContact CG-CB 4.28Å; E372-V433 HydrophobicContact CG-CG1 3.46Å; E372-V433 VanDerWaalsContact CG-CG1 3.46Å; E372-V433 HydrophobicContact CG-CG2 3.85Å; E372-V433 WeakPolarHBondContact OE1-CG1 3.17Å
373	G	91.9	Very high	94.8	Very high	53 Å²	53	44.7 Å²	44.7	55%	0.546	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	19.1	-171.5	0	0	0	0	0	113.4	E369 V370 L371	E369-G373 PolarHBondContact O-N 3.15Å; V370-G373 PolarHBondContact O-N 3.01Å; L371-G373 VanDerWaalsContact C-N 3.28Å; L371-G373 PolarHBondContact O-N 3.04Å
374	A	91.2	Very high	94.9	Very high	68 Å²	68	42 Å²	42	56%	0.562	22%	0.222	S	C	*	.			trans	-101.9	31.5	-174.4	0	0	0	0	0	112.6	E369 E372 N376	E369-A374 PolarHBondContact O-N 3.27Å; E372-A374 HydrophobicContact CB-CB 4.03Å; E372-A374 PolarHBondContact O-N 2.88Å; A374-N376 PolarHBondContact O-N 3.36Å
375	I	88.1	Confident	94.9	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.062	22%	0.223	C	C	.	.			trans	-70.5	130.4	-176.3	-54.7	172	0	0	0	110.3	G358 E369 V370 F377 F382 I385	G358-I375 WeakPolarHBondContact O-CD1 3.23Å; E369-I375 HydrophobicContact CG-CG1 4.43Å; E369-I375 WeakPolarHBondContact O-CG1 3.45Å; V370-I375 HydrophobicContact CB-CD1 4.08Å; V370-I375 HydrophobicContact CB-CG1 4.44Å; V370-I375 HydrophobicContact CG1-CD1 4.1Å; V370-I375 HydrophobicContact CG2-CD1 3.73Å; V370-I375 HydrophobicContact CG2-CG1 4.08Å; I375-F377 WeakPolarHBondContact O-CD2 3.49Å; I375-F377 WeakPolarHBondContact O-CE2 3.43Å; I375-F382 HydrophobicContact CG2-CE1 4.33Å; I375-F382 HydrophobicContact CG2-CZ 4.34Å; I375-I385 HydrophobicContact CD1-CD1 4.07Å; I375-I385 HydrophobicContact CG1-CD1 4.32Å; I375-I385 HydrophobicContact CG2-CD1 3.97Å
376	N	89	Confident	95	Very high	86 Å²	86	41.4 Å²	41.4	46%	0.46	22%	0.221	S	C	.	.			trans	-73.8	124.1	163.9	-176	-2.4	0	0	0	109.6	A374 Q378 A381	A374-N376 PolarHBondContact O-N 3.36Å; N376-Q378 PolarHBondContact ND2-OE1 2.85Å; N376-Q378 PolarHBondContact O-N 2.77Å; N376-Q378 WeakPolarHBondContact OD1-CG 3.26Å; N376-A381 HydrophobicContact CB-CB 4.11Å; N376-A381 WeakPolarHBondContact O-CB 3.45Å
377	F	89.6	Confident	95	Very high	83 Å²	83	40.8 Å²	40.8	36%	0.364	22%	0.218	S	C	.	.			trans	-79.2	42.6	-177.5	-67.7	-86.8	0	0	0	113.4	T356 I375 F382	T356-F377 WeakPolarHBondContact O-CE1 3.36Å; I375-F377 WeakPolarHBondContact O-CD2 3.49Å; I375-F377 WeakPolarHBondContact O-CE2 3.43Å; F377-F382 HydrophobicContact CD1-CE2 4.23Å; F377-F382 AromaticContact CD1-CZ 3.89Å; F377-F382 HydrophobicContact CD1-CZ 3.89Å; F377-F382 HydrophobicContact CE1-CZ 4.29Å
378	Q	91.8	Very high	95	Very high	115 Å²	115	40.8 Å²	40.8	54%	0.537	22%	0.218	S	C	.	.	S	Bend	trans	-105	151.9	173.5	-72.1	176	10.5	0	0	110.3	N376 D380 A381 F382	N376-Q378 PolarHBondContact ND2-OE1 2.85Å; N376-Q378 PolarHBondContact O-N 2.77Å; N376-Q378 WeakPolarHBondContact OD1-CG 3.26Å; Q378-D380 VanDerWaalsContact C-N 3.32Å; Q378-D380 PolarHBondContact O-N 3.11Å; Q378-A381 PolarHBondContact O-N 3.09Å; Q378-F382 VanDerWaalsContact O-CD2 3.31Å; Q378-F382 WeakPolarHBondContact O-CD2 3.49Å; Q378-F382 PolarHBondContact O-N 3.11Å
379	R	92.9	Very high	95.1	Very high	106 Å²	106	41 Å²	41	40%	0.4	22%	0.219	S	C	.	.	H	α-helix	trans	-47.2	-56	178.3	177.3	-171.8	71.9	-174.4	-0	111.5	F347 A381 F382 L383	F347-R379 HydrophobicContact CB-CB 4.49Å; F347-R379 HydrophobicContact CB-CG 4.07Å; F347-R379 HydrophobicContact CD1-CB 3.91Å; F347-R379 HydrophobicContact CD1-CG 4.04Å; F347-R379 HydrophobicContact CD2-CB 4.38Å; F347-R379 HydrophobicContact CD2-CG 3.61Å; F347-R379 HydrophobicContact CE1-CB 4.23Å; F347-R379 HydrophobicContact CE1-CG 4.43Å; F347-R379 HydrophobicContact CE2-CG 4.01Å; F347-R379 HydrophobicContact CG-CB 4.01Å; F347-R379 HydrophobicContact CG-CG 3.63Å; F347-R379 HydrophobicContact CZ-CG 4.42Å; R379-A381 VanDerWaalsContact C-N 3.29Å; R379-A381 PolarHBondContact O-N 3.2Å; R379-F382 PolarHBondContact O-N 2.98Å; R379-F382 VanDerWaalsContact O-N 3.1Å; R379-L383 HydrophobicContact CG-CD1 4.12Å; R379-L383 HydrophobicContact CG-CG 4.33Å; R379-L383 WeakPolarHBondContact O-CG 3.5Å; R379-L383 PolarHBondContact O-N 3.01Å; R379-L383 VanDerWaalsContact O-N 3.15Å
380	D	94.9	Very high	95.2	Very high	77 Å²	77	39.9 Å²	39.9	41%	0.412	21%	0.214	S	C	.	.	H	α-helix	trans	-63.9	-35.8	-169.9	-61.4	-14.4	0	0	0	111.5	Q378 F382 L383 R384	Q378-D380 VanDerWaalsContact C-N 3.32Å; Q378-D380 PolarHBondContact O-N 3.11Å; D380-F382 PolarHBondContact O-N 3.38Å; D380-L383 WeakPolarHBondContact O-CB 3.46Å; D380-L383 PolarHBondContact O-N 3.09Å; D380-L383 VanDerWaalsContact O-N 3.1Å; D380-R384 WeakPolarHBondContact O-CG 3.41Å; D380-R384 PolarHBondContact O-N 3.45Å
381	A	95.4	Very high	95.3	Very high	20 Å²	20	39.8 Å²	39.8	17%	0.165	21%	0.214	C	C	.	.	H	α-helix	trans	-58.8	-43.7	174.9	0	0	0	0	0	112.4	N376 Q378 R379 L383 R384 I385	N376-A381 HydrophobicContact CB-CB 4.11Å; N376-A381 WeakPolarHBondContact O-CB 3.45Å; Q378-A381 PolarHBondContact O-N 3.09Å; R379-A381 VanDerWaalsContact C-N 3.29Å; R379-A381 PolarHBondContact O-N 3.2Å; A381-L383 VanDerWaalsContact C-N 3.35Å; A381-L383 PolarHBondContact O-N 3.44Å; A381-R384 PolarHBondContact O-N 3.01Å; A381-I385 WeakPolarHBondContact O-CG1 3.36Å; A381-I385 PolarHBondContact O-N 2.97Å; A381-I385 VanDerWaalsContact O-N 3.09Å
382	F	96.3	Very high	95.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.2	-34.7	174.8	-74.1	-75	0	0	0	113.3	L345 F347 A353 I375 F377 Q378 R379 D380 R384 I385 D386	L345-F382 HydrophobicContact CD2-CD1 4.39Å; L345-F382 HydrophobicContact CD2-CD2 4.03Å; L345-F382 HydrophobicContact CD2-CE1 4.34Å; L345-F382 HydrophobicContact CD2-CE2 3.97Å; L345-F382 HydrophobicContact CD2-CG 4.25Å; L345-F382 HydrophobicContact CD2-CZ 4.13Å; F347-F382 HydrophobicContact CE1-CB 4.41Å; F347-F382 AromaticContact CE1-CD2 3.82Å; F347-F382 HydrophobicContact CE1-CD2 3.82Å; F347-F382 HydrophobicContact CE1-CG 4.38Å; F347-F382 HydrophobicContact CE2-CB 4.32Å; F347-F382 HydrophobicContact CZ-CB 3.54Å; F347-F382 AromaticContact CZ-CD2 3.79Å; F347-F382 HydrophobicContact CZ-CD2 3.79Å; F347-F382 AromaticContact CZ-CG 3.89Å; F347-F382 HydrophobicContact CZ-CG 3.89Å; A353-F382 HydrophobicContact CB-CE2 3.94Å; I375-F382 HydrophobicContact CG2-CE1 4.33Å; I375-F382 HydrophobicContact CG2-CZ 4.34Å; F377-F382 HydrophobicContact CD1-CE2 4.23Å; F377-F382 AromaticContact CD1-CZ 3.89Å; F377-F382 HydrophobicContact CD1-CZ 3.89Å; F377-F382 HydrophobicContact CE1-CZ 4.29Å; Q378-F382 VanDerWaalsContact O-CD2 3.31Å; Q378-F382 WeakPolarHBondContact O-CD2 3.49Å; Q378-F382 PolarHBondContact O-N 3.11Å; R379-F382 PolarHBondContact O-N 2.98Å; R379-F382 VanDerWaalsContact O-N 3.1Å; D380-F382 PolarHBondContact O-N 3.38Å; F382-R384 VanDerWaalsContact C-N 3.33Å; F382-I385 HydrophobicContact CD1-CD1 4.11Å; F382-I385 WeakPolarHBondContact O-CB 3.47Å; F382-I385 PolarHBondContact O-N 2.99Å; F382-D386 PolarHBondContact O-N 2.78Å
383	L	98.1	Very high	95.6	Very high	19 Å²	19	35 Å²	35	10%	0.099	19%	0.191	C	C	.	.	H	α-helix	trans	-65.8	-38.3	173.8	-53.6	-178.5	0	0	0	110.8	H304 F347 R379 D380 A381 I385 D386 M387	H304-L383 HydrophobicContact CB-CD1 4.25Å; H304-L383 HydrophobicContact CB-CD2 4.12Å; H304-L383 PolarHBondContact CE1-O 3.19Å; H304-L383 VanDerWaalsContact CE1-O 3.3Å; F347-L383 HydrophobicContact CE2-CD2 4.07Å; R379-L383 HydrophobicContact CG-CD1 4.12Å; R379-L383 HydrophobicContact CG-CG 4.33Å; R379-L383 WeakPolarHBondContact O-CG 3.5Å; R379-L383 PolarHBondContact O-N 3.01Å; R379-L383 VanDerWaalsContact O-N 3.15Å; D380-L383 WeakPolarHBondContact O-CB 3.46Å; D380-L383 PolarHBondContact O-N 3.09Å; D380-L383 VanDerWaalsContact O-N 3.1Å; A381-L383 VanDerWaalsContact C-N 3.35Å; A381-L383 PolarHBondContact O-N 3.44Å; L383-I385 VanDerWaalsContact C-N 3.31Å; L383-I385 PolarHBondContact O-N 2.77Å; L383-D386 WeakPolarHBondContact O-CB 3.45Å; L383-D386 PolarHBondContact O-N 3.38Å; L383-M387 WeakPolarHBondContact O-CG 3.35Å; L383-M387 PolarHBondContact O-N 3.25Å
384	R	98.5	Very high	95.9	Very high	73 Å²	73	32.5 Å²	32.5	28%	0.275	17%	0.165	S	C	.	.	H	α-helix	trans	-68.5	-25.7	175.8	-59.6	-50	179.3	89	-1.5	113.7	D380 A381 F382 M387 Y388 A466 E467 R469	D380-R384 WeakPolarHBondContact O-CG 3.41Å; D380-R384 PolarHBondContact O-N 3.45Å; A381-R384 PolarHBondContact O-N 3.01Å; F382-R384 VanDerWaalsContact C-N 3.33Å; R384-M387 PolarHBondContact O-N 3.36Å; R384-Y388 PolarHBondContact O-N 3.08Å; R384-A466 HydrophobicContact CB-CB 4.13Å; R384-A466 VanDerWaalsContact CG-O 3.3Å; R384-A466 WeakPolarHBondContact CG-O 3.43Å; R384-A466 PolarHBondContact NH1-O 3.44Å; R384-E467 VanDerWaalsContact NH1-CA 3.28Å; R384-E467 PolarHBondContact NH1-O 3.37Å; R384-R469 PolarHBondContact NH1-O 3.47Å; R384-R469 VanDerWaalsContact NH1-O 3.14Å; R384-R469 WeakPolarHBondContact O-CD 3.45Å; R384-R469 PolarHBondContact O-NH1 3.25Å
385	I	98.2	Very high	96.2	Very high	14 Å²	14	29.8 Å²	29.8	7%	0.072	14%	0.14	C	C	.	.	H	α-helix	trans	-63.7	-44.1	171.3	-70.1	166.9	0	0	0	110.3	A367 E369 V370 I375 A381 F382 L383 M387 Y388 A389	A367-I385 HydrophobicContact CB-CG1 4.32Å; A367-I385 HydrophobicContact CB-CG2 4.44Å; E369-I385 HydrophobicContact CG-CG1 4.39Å; E369-I385 WeakPolarHBondContact OE1-CG1 3.39Å; V370-I385 HydrophobicContact CG2-CB 4.38Å; V370-I385 HydrophobicContact CG2-CD1 3.39Å; V370-I385 HydrophobicContact CG2-CG1 3.63Å; V370-I385 HydrophobicContact CG2-CG2 3.81Å; I375-I385 HydrophobicContact CD1-CD1 4.07Å; I375-I385 HydrophobicContact CG1-CD1 4.32Å; I375-I385 HydrophobicContact CG2-CD1 3.97Å; A381-I385 WeakPolarHBondContact O-CG1 3.36Å; A381-I385 PolarHBondContact O-N 2.97Å; A381-I385 VanDerWaalsContact O-N 3.09Å; F382-I385 HydrophobicContact CD1-CD1 4.11Å; F382-I385 WeakPolarHBondContact O-CB 3.47Å; F382-I385 PolarHBondContact O-N 2.99Å; L383-I385 VanDerWaalsContact C-N 3.31Å; L383-I385 PolarHBondContact O-N 2.77Å; I385-M387 PolarHBondContact O-N 2.77Å; I385-Y388 PolarHBondContact O-N 3.47Å; I385-A389 PolarHBondContact O-N 2.81Å
386	D	98.7	Very high	96.8	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-62.8	-33.8	176.6	-70.8	-25.2	0	0	0	111.9	L300 H304 S319 H320 R321 I323 F382 L383 A389 M390	L300-D386 HydrophobicContact CD1-CB 4.18Å; L300-D386 HydrophobicContact CD2-CB 4.25Å; H304-D386 IonicContact CD2-OD2 2.75Å; H304-D386 IonicContact CE1-OD2 3.62Å; H304-D386 IonicContact NE2-OD2 3.91Å; H304-D386 PolarHBondContact NE2-OD2 3.16Å; S319-D386 WeakPolarHBondContact CA-OD2 3.46Å; H320-D386 PolarHBondContact N-OD1 3.16Å; H320-D386 PolarHBondContact N-OD2 3.06Å; R321-D386 WeakPolarHBondContact CA-OD1 3.35Å; R321-D386 PolarHBondContact N-OD1 2.91Å; I323-D386 HydrophobicContact CG1-CB 4.16Å; F382-D386 PolarHBondContact O-N 2.78Å; L383-D386 WeakPolarHBondContact O-CB 3.45Å; L383-D386 PolarHBondContact O-N 3.38Å; D386-A389 PolarHBondContact O-N 3.11Å; D386-M390 WeakPolarHBondContact O-CB 3.26Å; D386-M390 PolarHBondContact O-N 3.15Å
387	M	98.8	Very high	97.2	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-69	-37.6	-179.9	-64.1	-53.8	-48.8	0	0	113	L300 L383 R384 I385 A389 M390 G391 C461 R469 L470 A472 V475	L300-M387 HydrophobicContact CD2-SD 3.91Å; L383-M387 WeakPolarHBondContact O-CG 3.35Å; L383-M387 PolarHBondContact O-N 3.25Å; R384-M387 PolarHBondContact O-N 3.36Å; I385-M387 PolarHBondContact O-N 2.77Å; M387-A389 VanDerWaalsContact C-N 3.34Å; M387-A389 PolarHBondContact O-N 3.26Å; M387-M390 HydrophobicContact CE-CB 4.5Å; M387-M390 HydrophobicContact CE-SD 3.65Å; M387-M390 PolarHBondContact O-N 3.43Å; M387-M390 HydrophobicContact SD-SD 4.23Å; M387-G391 PolarHBondContact O-N 3.34Å; M387-C461 CarbonylContact C-O 3.49Å; M387-R469 HydrophobicContact CB-CB 4.4Å; M387-L470 WeakPolarHBondContact CE-O 3.04Å; M387-L470 WeakPolarHBondContact CG-O 3.45Å; M387-A472 HydrophobicContact CE-CB 4.26Å; M387-A472 HydrophobicContact SD-CB 3.7Å; M387-A472 PolarHBondContact SD-N 3.14Å; M387-V475 HydrophobicContact CE-CG2 3.79Å
388	Y	98.9	Very high	97.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.1	-49.4	171	-179.7	-89.2	0	0	0	111.1	M366 A367 P368 R384 I385 M390 G391 L392 V432 C461 W462	M366-Y388 VanDerWaalsContact O-CE1 3.26Å; M366-Y388 WeakPolarHBondContact O-CE1 3.26Å; A367-Y388 VanDerWaalsContact CA-CD1 3.46Å; A367-Y388 HydrophobicContact CB-CD1 3.93Å; A367-Y388 HydrophobicContact CB-CD2 4.33Å; A367-Y388 HydrophobicContact CB-CG 3.73Å; P368-Y388 HydrophobicContact CG-CE2 4.27Å; R384-Y388 PolarHBondContact O-N 3.08Å; I385-Y388 PolarHBondContact O-N 3.47Å; Y388-M390 VanDerWaalsContact C-N 3.32Å; Y388-M390 PolarHBondContact O-N 3.29Å; Y388-G391 PolarHBondContact O-N 3.34Å; Y388-L392 HydrophobicContact CD1-CD1 4.06Å; Y388-L392 HydrophobicContact CE1-CD1 3.58Å; Y388-L392 HydrophobicContact CE1-CG 4.21Å; Y388-L392 PolarHBondContact O-N 2.81Å; Y388-V432 VanDerWaalsContact OH-CG1 3.28Å; Y388-V432 WeakPolarHBondContact OH-CG1 3.43Å; Y388-C461 WeakPolarHBondContact CA-O 3.41Å; Y388-C461 PolarHBondContact N-O 2.96Å; Y388-W462 HydrophobicContact CD2-CB 3.75Å; Y388-W462 HydrophobicContact CE2-CB 3.77Å; Y388-W462 WeakPolarHBondContact CE2-O 3.35Å; Y388-W462 HydrophobicContact CG-CB 4.46Å
389	A	98.9	Very high	97.9	Very high	5 Å²	5	16.2 Å²	16.2	4%	0.041	8%	0.076	C	C	.	.	H	α-helix	trans	-63.7	-37.5	178.4	0	0	0	0	0	112.3	I323 I385 D386 M387 L392 V393	I323-A389 HydrophobicContact CB-CB 3.81Å; I323-A389 HydrophobicContact CG2-CB 4.09Å; I323-A389 WeakPolarHBondContact O-CB 3.48Å; I385-A389 PolarHBondContact O-N 2.81Å; D386-A389 PolarHBondContact O-N 3.11Å; M387-A389 VanDerWaalsContact C-N 3.34Å; M387-A389 PolarHBondContact O-N 3.26Å; A389-L392 WeakPolarHBondContact O-CB 3.28Å; A389-L392 PolarHBondContact O-N 3.49Å; A389-V393 WeakPolarHBondContact O-CG2 3.21Å; A389-V393 PolarHBondContact O-N 3.25Å; A389-V393 VanDerWaalsContact O-N 3.11Å
390	M	98.9	Very high	98.2	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-61.6	-41.5	173.8	-174.4	-178.4	177.1	0	0	111.8	M296 A297 L300 D386 M387 Y388 L392 V393 L394 V475	M296-M390 HydrophobicContact CE-CE 3.96Å; M296-M390 HydrophobicContact CE-CG 4.05Å; A297-M390 VanDerWaalsContact CA-CE 3.44Å; A297-M390 HydrophobicContact CB-CE 3.38Å; L300-M390 HydrophobicContact CD2-CB 4.11Å; L300-M390 HydrophobicContact CD2-CG 4.32Å; L300-M390 HydrophobicContact CD2-SD 3.69Å; D386-M390 WeakPolarHBondContact O-CB 3.26Å; D386-M390 PolarHBondContact O-N 3.15Å; M387-M390 HydrophobicContact CE-CB 4.5Å; M387-M390 HydrophobicContact CE-SD 3.65Å; M387-M390 PolarHBondContact O-N 3.43Å; M387-M390 HydrophobicContact SD-SD 4.23Å; Y388-M390 VanDerWaalsContact C-N 3.32Å; Y388-M390 PolarHBondContact O-N 3.29Å; M390-L392 VanDerWaalsContact C-N 3.29Å; M390-L392 PolarHBondContact O-N 2.84Å; M390-V393 PolarHBondContact O-N 3.49Å; M390-V393 VanDerWaalsContact O-N 3.11Å; M390-L394 HydrophobicContact CE-CD1 4.4Å; M390-L394 HydrophobicContact CG-CD1 4.46Å; M390-L394 HydrophobicContact CG-CG 4.47Å; M390-L394 WeakPolarHBondContact O-CG 3.14Å; M390-L394 PolarHBondContact O-N 2.77Å; M390-V475 HydrophobicContact CE-CB 4.08Å; M390-V475 HydrophobicContact CE-CG1 3.45Å; M390-V475 VanDerWaalsContact CE-CG1 3.45Å; M390-V475 HydrophobicContact SD-CG1 4.43Å
391	G	98.9	Very high	98.3	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-56.5	-42.5	174.3	0	0	0	0	0	112.5	M387 Y388 V393 L394 W395	M387-G391 PolarHBondContact O-N 3.34Å; Y388-G391 PolarHBondContact O-N 3.34Å; G391-V393 PolarHBondContact O-N 2.94Å; G391-L394 PolarHBondContact O-N 3.41Å; G391-W395 PolarHBondContact O-N 2.89Å
392	L	98.9	Very high	98.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-64.5	-38.8	175.4	-61.6	173.3	0	0	0	112.5	Y365 Y388 A389 M390 W395 E396 P414 F415 P439 W462	Y365-L392 HydrophobicContact CD1-CB 4.02Å; Y365-L392 HydrophobicContact CD1-CD1 4.01Å; Y365-L392 HydrophobicContact CE1-CB 4.24Å; Y365-L392 HydrophobicContact CG-CD1 4.43Å; Y388-L392 HydrophobicContact CD1-CD1 4.06Å; Y388-L392 HydrophobicContact CE1-CD1 3.58Å; Y388-L392 HydrophobicContact CE1-CG 4.21Å; Y388-L392 PolarHBondContact O-N 2.81Å; A389-L392 WeakPolarHBondContact O-CB 3.28Å; A389-L392 PolarHBondContact O-N 3.49Å; M390-L392 VanDerWaalsContact C-N 3.29Å; M390-L392 PolarHBondContact O-N 2.84Å; L392-W395 WeakPolarHBondContact O-CB 3.24Å; L392-W395 PolarHBondContact O-N 2.98Å; L392-E396 WeakPolarHBondContact O-CG 3.25Å; L392-E396 PolarHBondContact O-N 3.38Å; L392-E396 VanDerWaalsContact O-N 3.09Å; L392-P414 HydrophobicContact CB-CB 4.26Å; L392-P414 HydrophobicContact CB-CG 3.94Å; L392-P414 HydrophobicContact CD2-CB 3.99Å; L392-F415 HydrophobicContact CD1-CE2 4.24Å; L392-F415 HydrophobicContact CD2-CE2 3.79Å; L392-F415 HydrophobicContact CD2-CZ 4.07Å; L392-P439 HydrophobicContact CD2-CG 3.76Å; L392-W462 HydrophobicContact CD2-CE3 3.63Å; L392-W462 HydrophobicContact CD2-CZ3 3.92Å; L392-W462 HydrophobicContact CG-CE3 4.26Å
393	V	98.9	Very high	98.3	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-69.3	-36.3	176.1	179.1	0	0	0	0	111.8	L275 M296 I323 Y365 A389 M390 G391 W395 E396 L397	L275-V393 HydrophobicContact CD2-CG1 3.69Å; M296-V393 HydrophobicContact CE-CB 4.45Å; M296-V393 HydrophobicContact CE-CG1 4.03Å; M296-V393 HydrophobicContact SD-CB 4.37Å; M296-V393 HydrophobicContact SD-CG1 3.62Å; I323-V393 HydrophobicContact CG2-CG2 4.28Å; Y365-V393 HydrophobicContact CE1-CG2 4.13Å; A389-V393 WeakPolarHBondContact O-CG2 3.21Å; A389-V393 PolarHBondContact O-N 3.25Å; A389-V393 VanDerWaalsContact O-N 3.11Å; M390-V393 PolarHBondContact O-N 3.49Å; M390-V393 VanDerWaalsContact O-N 3.11Å; G391-V393 PolarHBondContact O-N 2.94Å; V393-W395 VanDerWaalsContact C-N 3.31Å; V393-E396 WeakPolarHBondContact O-CB 3.43Å; V393-E396 PolarHBondContact O-N 3.12Å; V393-L397 PolarHBondContact O-N 3.28Å; V393-L397 VanDerWaalsContact O-N 3.08Å
394	L	98.9	Very high	98.1	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-64.3	-36.6	173	-70.9	174.9	0	0	0	111.7	A293 M296 M390 G391 L397 A398 I458 V475 I479	A293-L394 HydrophobicContact CB-CD2 3.66Å; M296-L394 HydrophobicContact CE-CD2 3.75Å; M296-L394 HydrophobicContact CE-CG 4.14Å; M390-L394 HydrophobicContact CE-CD1 4.4Å; M390-L394 HydrophobicContact CG-CD1 4.46Å; M390-L394 HydrophobicContact CG-CG 4.47Å; M390-L394 WeakPolarHBondContact O-CG 3.14Å; M390-L394 PolarHBondContact O-N 2.77Å; G391-L394 PolarHBondContact O-N 3.41Å; L394-L397 HydrophobicContact CD2-CD1 4.37Å; L394-L397 WeakPolarHBondContact O-CB 3.38Å; L394-L397 PolarHBondContact O-N 2.81Å; L394-A398 PolarHBondContact O-N 2.93Å; L394-I458 HydrophobicContact CB-CD1 4.01Å; L394-I458 HydrophobicContact CB-CG1 3.59Å; L394-I458 HydrophobicContact CD1-CG1 4.32Å; L394-V475 HydrophobicContact CD1-CG1 3.98Å; L394-I479 HydrophobicContact CD2-CD1 4.47Å
395	W	98.7	Very high	97.6	Very high	11 Å²	11	15.5 Å²	15.5	4%	0.042	9%	0.089	C	C	.	.	H	α-helix	trans	-63.8	-41.2	171.9	176.5	89.9	0	0	0	112.6	G391 L392 V393 L397 A398 S399 P414 P439 V440 W445 I458 W462	G391-W395 PolarHBondContact O-N 2.89Å; L392-W395 WeakPolarHBondContact O-CB 3.24Å; L392-W395 PolarHBondContact O-N 2.98Å; V393-W395 VanDerWaalsContact C-N 3.31Å; W395-L397 VanDerWaalsContact C-N 3.26Å; W395-L397 PolarHBondContact O-N 3.23Å; W395-A398 PolarHBondContact O-N 3.08Å; W395-S399 PolarHBondContact O-N 3.41Å; W395-P414 HydrophobicContact CE3-CG 4.26Å; W395-P414 HydrophobicContact CZ3-CG 4.45Å; W395-P439 HydrophobicContact CD2-CB 3.56Å; W395-P439 HydrophobicContact CD2-CG 4.33Å; W395-P439 HydrophobicContact CE3-CB 4.08Å; W395-P439 HydrophobicContact CG-CB 3.94Å; W395-P439 HydrophobicContact CH2-CB 4.23Å; W395-P439 HydrophobicContact CZ2-CB 3.71Å; W395-P439 HydrophobicContact CZ3-CB 4.4Å; W395-V440 PolarHBondContact NE1-O 2.93Å; W395-W445 AromaticContact CD1-CZ3 3.96Å; W395-W445 AromaticContact NE1-CH2 3.86Å; W395-W445 AromaticContact NE1-CZ3 3.91Å; W395-I458 HydrophobicContact CB-CD1 4.45Å; W395-I458 HydrophobicContact CB-CG2 4.37Å; W395-W462 HydrophobicContact CB-CH2 3.8Å; W395-W462 HydrophobicContact CB-CZ3 3.48Å; W395-W462 VanDerWaalsContact CB-CZ3 3.48Å; W395-W462 AromaticContact CD1-CH2 3.61Å; W395-W462 AromaticContact CG-CH2 3.85Å; W395-W462 HydrophobicContact CG-CH2 3.85Å; W395-W462 AromaticContact CG-CZ3 3.92Å; W395-W462 HydrophobicContact CG-CZ3 3.92Å
396	E	98.7	Very high	97.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.1	-36.9	173.6	-67.4	178.8	-113.3	0	0	112.1	L279 S325 Y365 L392 V393 S399 Y411 P414	L279-E396 HydrophobicContact CD1-CB 4.27Å; S325-E396 WeakPolarHBondContact CB-OE2 3.39Å; S325-E396 VanDerWaalsContact OG-CD 3.28Å; S325-E396 PolarHBondContact OG-OE1 3.02Å; S325-E396 PolarHBondContact OG-OE2 2.8Å; Y365-E396 WeakPolarHBondContact CE1-OE1 3.45Å; Y365-E396 PolarHBondContact OH-OE1 3.43Å; L392-E396 WeakPolarHBondContact O-CG 3.25Å; L392-E396 PolarHBondContact O-N 3.38Å; L392-E396 VanDerWaalsContact O-N 3.09Å; V393-E396 WeakPolarHBondContact O-CB 3.43Å; V393-E396 PolarHBondContact O-N 3.12Å; E396-S399 PolarHBondContact O-OG 3.47Å; E396-Y411 HydrophobicContact CB-CE2 4.4Å; E396-Y411 WeakPolarHBondContact OE2-CE2 3.24Å; E396-Y411 PolarHBondContact OE2-OH 3.1Å; E396-P414 HydrophobicContact CG-CG 3.88Å
397	L	98.5	Very high	96.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.1	-47.7	173	-81.7	167	0	0	0	111.8	L275 L279 L289 I292 A293 V393 L394 W395 S399 R400 C401	L275-L397 HydrophobicContact CD1-CD2 3.78Å; L275-L397 HydrophobicContact CD2-CD1 4.23Å; L275-L397 HydrophobicContact CD2-CD2 4.2Å; L275-L397 HydrophobicContact CD2-CG 4.06Å; L279-L397 HydrophobicContact CD1-CD2 4.27Å; L279-L397 HydrophobicContact CD2-CD2 4.32Å; L289-L397 HydrophobicContact CD1-CB 4.1Å; L289-L397 HydrophobicContact CG-CB 4.2Å; I292-L397 HydrophobicContact CB-CD2 4.3Å; I292-L397 HydrophobicContact CD1-CD2 4.26Å; I292-L397 HydrophobicContact CG2-CD1 3.99Å; I292-L397 HydrophobicContact CG2-CD2 3.91Å; A293-L397 HydrophobicContact CB-CD1 4.09Å; V393-L397 PolarHBondContact O-N 3.28Å; V393-L397 VanDerWaalsContact O-N 3.08Å; L394-L397 HydrophobicContact CD2-CD1 4.37Å; L394-L397 WeakPolarHBondContact O-CB 3.38Å; L394-L397 PolarHBondContact O-N 2.81Å; W395-L397 VanDerWaalsContact C-N 3.26Å; W395-L397 PolarHBondContact O-N 3.23Å; L397-S399 VanDerWaalsContact C-N 3.3Å; L397-S399 PolarHBondContact O-N 3.39Å; L397-R400 PolarHBondContact O-N 3.09Å; L397-C401 PolarHBondContact O-N 2.99Å
398	A	98.2	Very high	96.8	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.3	-39.7	-179.5	0	0	0	0	0	112	L394 W395 R400 C401 W445 M451 L454 I458	L394-A398 PolarHBondContact O-N 2.93Å; W395-A398 PolarHBondContact O-N 3.08Å; A398-R400 PolarHBondContact O-N 2.98Å; A398-C401 VanDerWaalsContact O-CB 3.31Å; A398-C401 WeakPolarHBondContact O-CB 3.39Å; A398-C401 PolarHBondContact O-N 3.3Å; A398-C401 VanDerWaalsContact O-N 3.16Å; A398-W445 HydrophobicContact CB-CE3 4.2Å; A398-W445 HydrophobicContact CB-CH2 4.4Å; A398-W445 HydrophobicContact CB-CZ3 3.95Å; A398-M451 HydrophobicContact CB-CE 4.47Å; A398-L454 HydrophobicContact CB-CD2 3.98Å; A398-I458 HydrophobicContact CB-CD1 4.24Å
399	S	97.9	Very high	96.5	Very high	11 Å²	11	25.2 Å²	25.2	8%	0.077	16%	0.156	C	C	.	.	H	α-helix	trans	-66.3	-17.2	-179.7	71.8	0	0	0	0	114.5	W395 E396 L397 W445	W395-S399 PolarHBondContact O-N 3.41Å; E396-S399 PolarHBondContact O-OG 3.47Å; L397-S399 VanDerWaalsContact C-N 3.3Å; L397-S399 PolarHBondContact O-N 3.39Å; S399-W445 VanDerWaalsContact CA-CZ2 3.46Å
400	R	98.1	Very high	96.3	Very high	24 Å²	24	33.1 Å²	33.1	9%	0.091	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	13.5	179.2	-60.5	-62.6	-67.9	148.6	3.6	113	L279 N282 V283 V284 L397 A398 D409 Y411	L279-R400 HydrophobicContact CB-CG 4.19Å; L279-R400 HydrophobicContact CD2-CB 3.89Å; L279-R400 HydrophobicContact CD2-CG 4.35Å; L279-R400 PolarHBondContact O-NE 2.96Å; L279-R400 PolarHBondContact O-NH2 2.92Å; N282-R400 PolarHBondContact O-NE 2.77Å; N282-R400 PolarHBondContact O-NH2 3.37Å; V283-R400 WeakPolarHBondContact CA-O 3.31Å; V283-R400 VanDerWaalsContact CG1-NH2 3.27Å; V284-R400 PolarHBondContact N-O 2.82Å; L397-R400 PolarHBondContact O-N 3.09Å; A398-R400 PolarHBondContact O-N 2.98Å; R400-D409 PolarHBondContact NH1-O 3.45Å; R400-Y411 HydrophobicContact CG-CD2 4.21Å
401	C	97.8	Very high	96.3	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.034	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-86.4	134.4	177.5	-169.1	0	0	0	0	111.7	V284 L289 L397 A398 A403 M451	V284-C401 CarbonylContact O-C 3.52Å; V284-C401 VanDerWaalsContact O-CA 3.31Å; V284-C401 WeakPolarHBondContact O-CA 3.46Å; L289-C401 HydrophobicContact CD1-CB 3.64Å; L397-C401 PolarHBondContact O-N 2.99Å; A398-C401 VanDerWaalsContact O-CB 3.31Å; A398-C401 WeakPolarHBondContact O-CB 3.39Å; A398-C401 PolarHBondContact O-N 3.3Å; A398-C401 VanDerWaalsContact O-N 3.16Å; C401-A403 VanDerWaalsContact C-N 3.33Å; C401-A403 VanDerWaalsContact SG-CB 3.52Å; C401-M451 HydrophobicContact CB-CE 4.11Å; C401-M451 HydrophobicContact CB-SD 4.42Å
402	T	96.9	Very high	96.2	Very high	69 Å²	69	36.6 Å²	36.6	42%	0.423	21%	0.208	S	C	.	.	S	Bend	trans	-90	8.9	178.5	67.6	0	0	0	0	113.9	V283 V284 V408	V283-T402 HydrophobicContact CB-CG2 3.7Å; V283-T402 HydrophobicContact CG1-CG2 4.48Å; V283-T402 HydrophobicContact CG2-CG2 3.57Å; V284-T402 PolarHBondContact O-N 2.62Å; T402-V408 HydrophobicContact CG2-CG2 4.29Å
403	A	95	Very high	96.1	Very high	24 Å²	24	38.6 Å²	38.6	20%	0.198	22%	0.218	C	C	.	.			trans	-78.3	-27.2	-170.5	0	0	0	0	0	114.2	W286 C401 M451	W286-A403 HydrophobicContact CB-CB 3.78Å; W286-A403 HydrophobicContact CE3-CB 4.2Å; W286-A403 HydrophobicContact CG-CB 4.4Å; C401-A403 VanDerWaalsContact C-N 3.33Å; C401-A403 VanDerWaalsContact SG-CB 3.52Å; A403-M451 HydrophobicContact CB-CG 4.39Å; A403-M451 HydrophobicContact CB-SD 3.9Å
404	A	92.9	Very high	96.1	Very high	9 Å²	9	38.6 Å²	38.6	7%	0.074	22%	0.218	C	C	.	.	S	Bend	trans	-85.1	144.6	178	0	0	0	0	0	111.6	G406 Y444 M451	A404-G406 VanDerWaalsContact C-N 3.25Å; A404-G406 PolarHBondContact O-N 3.47Å; A404-Y444 HydrophobicContact CB-CD2 3.95Å; A404-M451 HydrophobicContact CB-CE 4.42Å; A404-M451 HydrophobicContact CB-SD 3.66Å
405	D	88.1	Confident	96.1	Very high	150 Å²	150	38.6 Å²	38.6	80%	0.802	22%	0.218	S	C	*	.	S	Bend	trans	-73	78.2	173	-64.6	-39.4	0	0	0	110.5
406	G	90	Very high	96	Very high	34 Å²	34	40 Å²	40	35%	0.351	23%	0.225	S	C	.	.	S	Bend	trans	-171.4	173.6	179.7	0	0	0	0	0	112.5	A404	A404-G406 VanDerWaalsContact C-N 3.25Å; A404-G406 PolarHBondContact O-N 3.47Å
407	P	92.5	Very high	95.7	Very high	88 Å²	88	45.7 Å²	45.7	57%	0.571	25%	0.252	S	S	*	.			trans	-65.2	143.8	175.4	29.1	-33.8	0	0	0	110.6	Y444	P407-Y444 WeakPolarHBondContact O-CE2 3.18Å; P407-Y444 PolarHBondContact O-OH 3.07Å
408	V	96.3	Very high	95.5	Very high	50 Å²	50	48.6 Å²	48.6	30%	0.303	27%	0.265	S	S	.	.			trans	-98.3	107.9	169.5	-173.8	0	0	0	0	107.2	V283 T402	V283-V408 HydrophobicContact CG1-CB 4.49Å; V283-V408 HydrophobicContact CG1-CG1 3.82Å; T402-V408 HydrophobicContact CG2-CG2 4.29Å
409	D	92.6	Very high	95.3	Very high	47 Å²	47	50.4 Å²	50.4	25%	0.251	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-66	158.5	-177.2	-59.4	-46.7	0	0	0	111.6	R400 R442	R400-D409 PolarHBondContact NH1-O 3.45Å; D409-R442 IonicContact OD2-CZ 2.67Å; D409-R442 IonicContact OD2-NE 3.29Å; D409-R442 PolarHBondContact OD2-NE 2.85Å; D409-R442 IonicContact OD2-NH2 2.91Å; D409-R442 PolarHBondContact OD2-NH2 2.73Å
410	E	95.9	Very high	95.2	Very high	171 Å²	171	51.3 Å²	51.3	80%	0.799	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-56.1	150.2	168.8	-65.7	-171.4	168	0	0	110.9	M412	E410-M412 PolarHBondContact O-N 3.45Å
411	Y	97.5	Very high	94.9	Very high	27 Å²	27	55.7 Å²	55.7	11%	0.106	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-61.3	124.3	178.5	173.8	-91.3	0	0	0	110.7	S276 L279 K280 S325 E396 R400 L413	S276-Y411 WeakPolarHBondContact CB-OH 3.29Å; S276-Y411 PolarHBondContact OG-OH 2.64Å; L279-Y411 HydrophobicContact CB-CD2 3.58Å; L279-Y411 HydrophobicContact CB-CE2 3.81Å; L279-Y411 HydrophobicContact CB-CG 4.5Å; L279-Y411 HydrophobicContact CD1-CE2 4.21Å; K280-Y411 HydrophobicContact CB-CD1 4.44Å; K280-Y411 HydrophobicContact CD-CD1 4.2Å; K280-Y411 HydrophobicContact CD-CE1 4.28Å; K280-Y411 VanDerWaalsContact CE-CE1 3.5Å; K280-Y411 HydrophobicContact CG-CD1 3.27Å; K280-Y411 HydrophobicContact CG-CE1 3.73Å; K280-Y411 HydrophobicContact CG-CG 3.78Å; S325-Y411 PolarHBondContact OG-OH 3.33Å; E396-Y411 HydrophobicContact CB-CE2 4.4Å; E396-Y411 WeakPolarHBondContact OE2-CE2 3.24Å; E396-Y411 PolarHBondContact OE2-OH 3.1Å; R400-Y411 HydrophobicContact CG-CD2 4.21Å; Y411-L413 HydrophobicContact CE1-CD2 4.16Å; Y411-L413 HydrophobicContact CE1-CG 4.42Å; Y411-L413 WeakPolarHBondContact OH-CD2 3.46Å
412	M	97.3	Very high	94.6	Very high	47 Å²	47	63.7 Å²	63.7	23%	0.232	34%	0.344	C	S	.	.			trans	-125.5	147.1	173.1	-69.7	-171.7	-68.7	0	0	109.7	E410 E416	E410-M412 PolarHBondContact O-N 3.45Å; M412-E416 HydrophobicContact CB-CB 4.3Å
413	L	97.8	Very high	94.5	Very high	43 Å²	43	61.1 Å²	61.1	23%	0.225	33%	0.328	C	S	.	.			trans	-72.5	155.9	171.6	-67.1	168.2	0	0	0	110.8	Y411 F415 E416	Y411-L413 HydrophobicContact CE1-CD2 4.16Å; Y411-L413 HydrophobicContact CE1-CG 4.42Å; Y411-L413 WeakPolarHBondContact OH-CD2 3.46Å; L413-F415 PolarHBondContact O-N 2.79Å; L413-E416 HydrophobicContact CB-CB 4.2Å; L413-E416 WeakPolarHBondContact CB-OE2 3.34Å; L413-E416 PolarHBondContact N-OE2 2.82Å; L413-E416 WeakPolarHBondContact O-CB 3.32Å; L413-E416 PolarHBondContact O-N 2.85Å
414	P	98.3	Very high	94.5	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	131.5	173.5	-24.7	33	0	0	0	111.2	R364 Y365 L392 W395 E396 E416 P439	R364-P414 WeakPolarHBondContact CD-O 3.46Å; R364-P414 HydrophobicContact CG-CB 4.41Å; R364-P414 WeakPolarHBondContact CG-O 3.41Å; R364-P414 PolarHBondContact NH1-O 3.07Å; Y365-P414 HydrophobicContact CE1-CG 3.94Å; L392-P414 HydrophobicContact CB-CB 4.26Å; L392-P414 HydrophobicContact CB-CG 3.94Å; L392-P414 HydrophobicContact CD2-CB 3.99Å; W395-P414 HydrophobicContact CE3-CG 4.26Å; W395-P414 HydrophobicContact CZ3-CG 4.45Å; E396-P414 HydrophobicContact CG-CG 3.88Å; P414-E416 PolarHBondContact O-N 3.37Å; P414-P439 HydrophobicContact CB-CG 3.96Å
415	F	98	Very high	94.5	Very high	1 Å²	1	62.6 Å²	62.6	0%	0.004	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	7.8	-175.9	-45.2	-77.3	0	0	0	116	R364 L392 L413 E417 E418 I419 M428 V431 V432 P439	R364-F415 HydrophobicContact CG-CD2 4.38Å; L392-F415 HydrophobicContact CD1-CE2 4.24Å; L392-F415 HydrophobicContact CD2-CE2 3.79Å; L392-F415 HydrophobicContact CD2-CZ 4.07Å; L413-F415 PolarHBondContact O-N 2.79Å; F415-E417 VanDerWaalsContact C-N 3.28Å; F415-E417 PolarHBondContact O-N 3.36Å; F415-E418 WeakPolarHBondContact CA-OE2 3.29Å; F415-E418 PolarHBondContact O-N 2.89Å; F415-I419 HydrophobicContact CB-CD1 3.88Å; F415-I419 HydrophobicContact CB-CG1 3.91Å; F415-I419 WeakPolarHBondContact O-CG1 3.17Å; F415-I419 PolarHBondContact O-N 3.27Å; F415-M428 HydrophobicContact CD2-CE 3.86Å; F415-M428 HydrophobicContact CE2-CE 4.05Å; F415-V431 HydrophobicContact CD1-CG1 3.86Å; F415-V431 HydrophobicContact CE1-CG1 4.21Å; F415-V432 HydrophobicContact CE1-CG2 3.91Å; F415-V432 HydrophobicContact CE2-CG2 3.93Å; F415-V432 HydrophobicContact CZ-CG2 3.56Å; F415-P439 HydrophobicContact CD1-CG 4.31Å; F415-P439 HydrophobicContact CE1-CG 4.09Å; F415-P439 HydrophobicContact CE2-CG 4.31Å; F415-P439 HydrophobicContact CZ-CG 4.08Å
416	E	97	Very high	94.9	Very high	39 Å²	39	61.1 Å²	61.1	18%	0.182	32%	0.322	C	S	.	.	H	α-helix	trans	-64.4	-34.4	179.2	-176	168.6	173.7	0	0	112.4	M412 L413 P414 E418 G420 Q421	M412-E416 HydrophobicContact CB-CB 4.3Å; L413-E416 HydrophobicContact CB-CB 4.2Å; L413-E416 WeakPolarHBondContact CB-OE2 3.34Å; L413-E416 PolarHBondContact N-OE2 2.82Å; L413-E416 WeakPolarHBondContact O-CB 3.32Å; L413-E416 PolarHBondContact O-N 2.85Å; P414-E416 PolarHBondContact O-N 3.37Å; E416-E418 VanDerWaalsContact C-N 3.33Å; E416-E418 PolarHBondContact O-N 2.92Å; E416-G420 WeakPolarHBondContact O-CA 3.37Å; E416-G420 PolarHBondContact O-N 2.8Å; E416-Q421 HydrophobicContact CG-CG 4.09Å; E416-Q421 WeakPolarHBondContact OE1-CG 3.29Å; E416-Q421 PolarHBondContact OE1-NE2 2.89Å
417	E	94	Very high	95.3	Very high	121 Å²	121	62.8 Å²	62.8	57%	0.565	32%	0.323	S	S	*	.	H	α-helix	trans	-65.5	-36.5	177.2	-170.1	173	170.3	0	0	111.8	F415 R442	F415-E417 VanDerWaalsContact C-N 3.28Å; F415-E417 PolarHBondContact O-N 3.36Å; E417-R442 IonicContact OE2-NH1 3.12Å
418	E	93.5	Very high	95.5	Very high	60 Å²	60	58.6 Å²	58.6	28%	0.28	30%	0.296	S	S	.	.	H	α-helix	trans	-85.7	-37.4	-175.6	-64.2	85.4	164.5	0	0	114.2	F415 E416	F415-E418 WeakPolarHBondContact CA-OE2 3.29Å; F415-E418 PolarHBondContact O-N 2.89Å; E416-E418 VanDerWaalsContact C-N 3.33Å; E416-E418 PolarHBondContact O-N 2.92Å
419	I	94.6	Very high	95.6	Very high	38 Å²	38	58.8 Å²	58.8	20%	0.195	29%	0.293	C	S	.	.	H	α-helix	trans	-135.6	7.9	-170.3	55.7	178.6	0	0	0	113.9	F415 P423 D427 M428 V431	F415-I419 HydrophobicContact CB-CD1 3.88Å; F415-I419 HydrophobicContact CB-CG1 3.91Å; F415-I419 WeakPolarHBondContact O-CG1 3.17Å; F415-I419 PolarHBondContact O-N 3.27Å; I419-P423 HydrophobicContact CB-CB 4.48Å; I419-P423 HydrophobicContact CD1-CB 3.46Å; I419-P423 VanDerWaalsContact CD1-CB 3.46Å; I419-P423 HydrophobicContact CD1-CG 4.04Å; I419-P423 HydrophobicContact CG1-CB 4Å; I419-D427 HydrophobicContact CD1-CB 4.4Å; I419-D427 HydrophobicContact CG2-CB 4.37Å; I419-M428 HydrophobicContact CD1-SD 3.36Å; I419-M428 WeakPolarHBondContact CD1-SD 3.35Å; I419-V431 HydrophobicContact CG2-CG2 3.47Å; I419-V431 VanDerWaalsContact CG2-CG2 3.47Å
420	G	94.7	Very high	95.9	Very high	30 Å²	30	60.2 Å²	60.2	31%	0.309	30%	0.299	S	S	.	.			trans	72.9	-166.3	177.1	0	0	0	0	0	114.5	R364 E416	R364-G420 PolarHBondContact NH1-O 3.32Å; R364-G420 PolarHBondContact NH2-O 3.49Å; E416-G420 WeakPolarHBondContact O-CA 3.37Å; E416-G420 PolarHBondContact O-N 2.8Å
421	Q	92.4	Very high	95.9	Very high	117 Å²	117	52.4 Å²	52.4	55%	0.547	26%	0.263	S	S	.	.	S	Bend	trans	-80.5	-26.7	-167.6	-73	-174.1	1.3	0	0	115.6	R364 E416 P423	R364-Q421 PolarHBondContact NH2-O 3.29Å; E416-Q421 HydrophobicContact CG-CG 4.09Å; E416-Q421 WeakPolarHBondContact OE1-CG 3.29Å; E416-Q421 PolarHBondContact OE1-NE2 2.89Å; Q421-P423 VanDerWaalsContact C-CD 3.47Å; Q421-P423 WeakPolarHBondContact O-CD 3.34Å
422	H	92	Very high	96	Very high	173 Å²	173	51.1 Å²	51.1	80%	0.801	26%	0.258	S	S	*	.	S	Bend	trans	-128.6	65.3	-172.7	-61.2	-43.1	0	0	0	112.2
423	P	93.2	Very high	96	Very high	14 Å²	14	49.2 Å²	49.2	9%	0.091	25%	0.249	C	C	.	.			trans	-67.2	139.5	-177.7	29.3	-36.8	0	0	0	111.6	I419 Q421 D427 M428	I419-P423 HydrophobicContact CB-CB 4.48Å; I419-P423 HydrophobicContact CD1-CB 3.46Å; I419-P423 VanDerWaalsContact CD1-CB 3.46Å; I419-P423 HydrophobicContact CD1-CG 4.04Å; I419-P423 HydrophobicContact CG1-CB 4Å; Q421-P423 VanDerWaalsContact C-CD 3.47Å; Q421-P423 WeakPolarHBondContact O-CD 3.34Å; P423-D427 HydrophobicContact CB-CB 4.1Å; P423-M428 HydrophobicContact CB-CG 4.13Å; P423-M428 HydrophobicContact CB-SD 3.93Å; P423-M428 HydrophobicContact CG-CG 4.31Å; P423-M428 HydrophobicContact CG-SD 3.84Å
424	S	95.2	Very high	96	Very high	35 Å²	35	53.3 Å²	53.3	25%	0.245	27%	0.267	C	S	.	.			trans	-70.1	173.9	167.8	68.3	0	0	0	0	111	E426 D427 M428	S424-E426 VanDerWaalsContact C-N 3.27Å; S424-E426 WeakPolarHBondContact CB-OE2 3.48Å; S424-E426 PolarHBondContact OG-OE2 3.31Å; S424-D427 WeakPolarHBondContact CB-OD2 3.49Å; S424-D427 PolarHBondContact N-OD2 3.19Å; S424-D427 PolarHBondContact OG-N 3.02Å; S424-D427 PolarHBondContact OG-OD2 3.35Å; S424-M428 WeakPolarHBondContact O-CG 3.23Å; S424-M428 PolarHBondContact O-N 2.9Å
425	L	94.3	Very high	95.9	Very high	30 Å²	30	58.8 Å²	58.8	16%	0.157	29%	0.29	C	S	.	.	H	α-helix	trans	-67.2	-38.2	174.1	177.6	62.2	0	0	0	109.9	L371 M428 Q429	L371-L425 HydrophobicContact CD2-CD1 3.66Å; L425-M428 PolarHBondContact O-N 2.94Å; L425-Q429 WeakPolarHBondContact O-CG 3.46Å; L425-Q429 PolarHBondContact O-N 3Å
426	E	96.6	Very high	95.9	Very high	119 Å²	119	64.7 Å²	64.7	56%	0.556	32%	0.316	S	S	*	.	H	α-helix	trans	-64.8	-41.9	-179.7	-62.1	73	-165.3	0	0	111.1	S424 M428 Q429 E430	S424-E426 VanDerWaalsContact C-N 3.27Å; S424-E426 WeakPolarHBondContact CB-OE2 3.48Å; S424-E426 PolarHBondContact OG-OE2 3.31Å; E426-M428 VanDerWaalsContact C-N 3.32Å; E426-M428 PolarHBondContact O-N 3.33Å; E426-Q429 PolarHBondContact O-N 3.04Å; E426-E430 WeakPolarHBondContact O-CB 3.3Å; E426-E430 PolarHBondContact O-N 3.23Å
427	D	97.5	Very high	95.9	Very high	68 Å²	68	67.6 Å²	67.6	36%	0.364	33%	0.328	S	S	.	.	H	α-helix	trans	-60.6	-43.1	174.4	-62.6	-44	0	0	0	111.4	I419 P423 S424 E430 V431	I419-D427 HydrophobicContact CD1-CB 4.4Å; I419-D427 HydrophobicContact CG2-CB 4.37Å; P423-D427 HydrophobicContact CB-CB 4.1Å; S424-D427 WeakPolarHBondContact CB-OD2 3.49Å; S424-D427 PolarHBondContact N-OD2 3.19Å; S424-D427 PolarHBondContact OG-N 3.02Å; S424-D427 PolarHBondContact OG-OD2 3.35Å; D427-E430 PolarHBondContact O-N 3.46Å; D427-V431 WeakPolarHBondContact O-CG2 3.47Å; D427-V431 PolarHBondContact O-N 3.42Å
428	M	97.8	Very high	96.1	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-67.1	-42.5	178.2	-68.4	-56.9	-51.5	0	0	111.6	R363 L371 F415 I419 P423 S424 L425 E426 V431 V432	R363-M428 HydrophobicContact CB-CG 4.18Å; L371-M428 HydrophobicContact CD1-CB 4.04Å; L371-M428 HydrophobicContact CD2-CB 3.69Å; F415-M428 HydrophobicContact CD2-CE 3.86Å; F415-M428 HydrophobicContact CE2-CE 4.05Å; I419-M428 HydrophobicContact CD1-SD 3.36Å; I419-M428 WeakPolarHBondContact CD1-SD 3.35Å; P423-M428 HydrophobicContact CB-CG 4.13Å; P423-M428 HydrophobicContact CB-SD 3.93Å; P423-M428 HydrophobicContact CG-CG 4.31Å; P423-M428 HydrophobicContact CG-SD 3.84Å; S424-M428 WeakPolarHBondContact O-CG 3.23Å; S424-M428 PolarHBondContact O-N 2.9Å; L425-M428 PolarHBondContact O-N 2.94Å; E426-M428 VanDerWaalsContact C-N 3.32Å; E426-M428 PolarHBondContact O-N 3.33Å; M428-V431 PolarHBondContact O-N 3.2Å; M428-V432 HydrophobicContact CE-CG2 3.58Å; M428-V432 VanDerWaalsContact O-CB 3.25Å; M428-V432 WeakPolarHBondContact O-CB 3.45Å; M428-V432 PolarHBondContact O-N 2.82Å
429	Q	97.6	Very high	96.3	Very high	54 Å²	54	61.3 Å²	61.3	25%	0.252	30%	0.297	S	S	.	.	I	π-helix	trans	-59.4	-47.8	174.2	-74.4	173.2	-36.9	0	0	110.9	L371 L425 E426 V431 V433 H434	L371-Q429 HydrophobicContact CB-CG 4.05Å; L371-Q429 PolarHBondContact O-NE2 3.24Å; L425-Q429 WeakPolarHBondContact O-CG 3.46Å; L425-Q429 PolarHBondContact O-N 3Å; E426-Q429 PolarHBondContact O-N 3.04Å; Q429-V431 PolarHBondContact O-N 3.44Å; Q429-V433 WeakPolarHBondContact O-CA 3.5Å; Q429-V433 WeakPolarHBondContact O-CB 3.33Å; Q429-V433 PolarHBondContact O-N 3.05Å; Q429-H434 PolarHBondContact O-N 3.38Å
430	E	97.9	Very high	96.4	Very high	77 Å²	77	62.7 Å²	62.7	36%	0.36	31%	0.307	S	S	.	.	I	π-helix	trans	-59.3	-46.5	179.1	177.3	60.7	-168.7	0	0	112.5	E426 D427 H434 K435	E426-E430 WeakPolarHBondContact O-CB 3.3Å; E426-E430 PolarHBondContact O-N 3.23Å; D427-E430 PolarHBondContact O-N 3.46Å; E430-H434 IonicContact OE2-CD2 3.58Å; E430-K435 HydrophobicContact CG-CD 4.37Å; E430-K435 WeakPolarHBondContact O-CB 3.25Å; E430-K435 WeakPolarHBondContact O-CG 3.16Å; E430-K435 PolarHBondContact O-N 3.08Å; E430-K435 WeakPolarHBondContact OE1-CE 3.45Å; E430-K435 IonicContact OE1-NZ 3.19Å; E430-K435 PolarHBondContact OE1-NZ 3.08Å
431	V	98	Very high	96.5	Very high	8 Å²	8	62.5 Å²	62.5	5%	0.048	30%	0.299	C	S	.	.	I	π-helix	trans	-78.1	-48.4	-176.1	172.8	0	0	0	0	112.6	F415 I419 D427 M428 Q429 K436 K437	F415-V431 HydrophobicContact CD1-CG1 3.86Å; F415-V431 HydrophobicContact CE1-CG1 4.21Å; I419-V431 HydrophobicContact CG2-CG2 3.47Å; I419-V431 VanDerWaalsContact CG2-CG2 3.47Å; D427-V431 WeakPolarHBondContact O-CG2 3.47Å; D427-V431 PolarHBondContact O-N 3.42Å; M428-V431 PolarHBondContact O-N 3.2Å; Q429-V431 PolarHBondContact O-N 3.44Å; V431-K436 PolarHBondContact O-N 3.45Å; V431-K437 HydrophobicContact CG1-CB 3.75Å; V431-K437 HydrophobicContact CG1-CD 4.22Å; V431-K437 HydrophobicContact CG1-CG 4.5Å; V431-K437 WeakPolarHBondContact O-CB 3.43Å; V431-K437 PolarHBondContact O-N 2.98Å
432	V	98.1	Very high	96.7	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.281	C	S	.	.	I	π-helix	trans	-86.1	-38.4	-170.4	173.9	0	0	0	0	112.6	P368 L371 Y388 F415 M428 K436 R438	P368-V432 HydrophobicContact CB-CG1 4.44Å; P368-V432 HydrophobicContact CG-CG1 3.86Å; L371-V432 HydrophobicContact CD1-CB 3.77Å; L371-V432 HydrophobicContact CD1-CG1 3.84Å; L371-V432 HydrophobicContact CD1-CG2 4.32Å; Y388-V432 VanDerWaalsContact OH-CG1 3.28Å; Y388-V432 WeakPolarHBondContact OH-CG1 3.43Å; F415-V432 HydrophobicContact CE1-CG2 3.91Å; F415-V432 HydrophobicContact CE2-CG2 3.93Å; F415-V432 HydrophobicContact CZ-CG2 3.56Å; M428-V432 HydrophobicContact CE-CG2 3.58Å; M428-V432 VanDerWaalsContact O-CB 3.25Å; M428-V432 WeakPolarHBondContact O-CB 3.45Å; M428-V432 PolarHBondContact O-N 2.82Å; V432-K436 WeakPolarHBondContact O-CA 3.38Å; V432-R438 PolarHBondContact O-NH1 3.19Å
433	V	97.6	Very high	96.9	Very high	7 Å²	7	57.5 Å²	57.5	4%	0.042	28%	0.279	C	S	.	.	I	π-helix	trans	-92.6	-60.8	-175.2	-179.6	0	0	0	0	110.2	P368 L371 E372 Q429 K436	P368-V433 HydrophobicContact CB-CG2 4.25Å; L371-V433 HydrophobicContact CB-CG2 3.82Å; L371-V433 HydrophobicContact CD1-CG2 4.15Å; E372-V433 HydrophobicContact CG-CB 4.28Å; E372-V433 HydrophobicContact CG-CG1 3.46Å; E372-V433 VanDerWaalsContact CG-CG1 3.46Å; E372-V433 HydrophobicContact CG-CG2 3.85Å; E372-V433 WeakPolarHBondContact OE1-CG1 3.17Å; Q429-V433 WeakPolarHBondContact O-CA 3.5Å; Q429-V433 WeakPolarHBondContact O-CB 3.33Å; Q429-V433 PolarHBondContact O-N 3.05Å; V433-K436 VanDerWaalsContact O-CG 3.31Å; V433-K436 WeakPolarHBondContact O-CG 3.37Å
434	H	97.2	Very high	96.9	Very high	129 Å²	129	58.9 Å²	58.9	60%	0.597	28%	0.282	S	S	*	.	I	π-helix	trans	-73.7	-48.3	-172.3	-62	-44.8	0	0	0	112.3	Q429 E430	Q429-H434 PolarHBondContact O-N 3.38Å; E430-H434 IonicContact OE2-CD2 3.58Å
435	K	97.8	Very high	97	Very high	114 Å²	114	57.4 Å²	57.4	50%	0.496	27%	0.271	S	S	.	.	S	Bend	trans	-85.4	-9.6	178	-69.1	174.3	170.8	138.4	0	113.9	E430 K437	E430-K435 HydrophobicContact CG-CD 4.37Å; E430-K435 WeakPolarHBondContact O-CB 3.25Å; E430-K435 WeakPolarHBondContact O-CG 3.16Å; E430-K435 PolarHBondContact O-N 3.08Å; E430-K435 WeakPolarHBondContact OE1-CE 3.45Å; E430-K435 IonicContact OE1-NZ 3.19Å; E430-K435 PolarHBondContact OE1-NZ 3.08Å; K435-K437 HydrophobicContact CB-CD 4.45Å; K435-K437 HydrophobicContact CB-CG 4.02Å; K435-K437 PolarHBondContact O-N 3.13Å; K435-K437 VanDerWaalsContact O-N 3.07Å
436	K	97.6	Very high	97	Very high	125 Å²	125	59.8 Å²	59.8	54%	0.543	28%	0.282	S	S	.	.			trans	49.8	32	-177.5	-57.7	-169.1	179.4	-162.9	0	113.9	V431 V432 V433 H464	V431-K436 PolarHBondContact O-N 3.45Å; V432-K436 WeakPolarHBondContact O-CA 3.38Å; V433-K436 VanDerWaalsContact O-CG 3.31Å; V433-K436 WeakPolarHBondContact O-CG 3.37Å; K436-H464 WeakPolarHBondContact CE-NE2 3.49Å; K436-H464 PolarHBondContact NZ-NE2 3.47Å
437	K	97.6	Very high	96.9	Very high	101 Å²	101	61.8 Å²	61.8	44%	0.439	29%	0.288	S	S	.	.			trans	-73.7	155.1	178.7	-73.1	-173.3	169.8	-165.9	0	111.2	V431 K435	V431-K437 HydrophobicContact CG1-CB 3.75Å; V431-K437 HydrophobicContact CG1-CD 4.22Å; V431-K437 HydrophobicContact CG1-CG 4.5Å; V431-K437 WeakPolarHBondContact O-CB 3.43Å; V431-K437 PolarHBondContact O-N 2.98Å; K435-K437 HydrophobicContact CB-CD 4.45Å; K435-K437 HydrophobicContact CB-CG 4.02Å; K435-K437 PolarHBondContact O-N 3.13Å; K435-K437 VanDerWaalsContact O-N 3.07Å
438	R	98.1	Very high	96.7	Very high	43 Å²	43	60.6 Å²	60.6	16%	0.162	28%	0.281	C	S	.	.			trans	-133.3	156.9	171.1	-64.8	-62.4	-178.9	-88.6	-1.4	108.8	V432 V440 W462	V432-R438 PolarHBondContact O-NH1 3.19Å; R438-V440 PolarHBondContact O-N 3.27Å; R438-W462 HydrophobicContact CB-CZ2 4.02Å; R438-W462 HydrophobicContact CG-CD2 4.45Å; R438-W462 HydrophobicContact CG-CG 4.37Å; R438-W462 PolarHBondContact NE-O 2.86Å; R438-W462 PolarHBondContact NH2-O 2.82Å
439	P	97.6	Very high	96.5	Very high	5 Å²	5	63.3 Å²	63.3	3%	0.032	30%	0.303	C	S	.	.			trans	-55.5	138.8	172.4	-22.8	35.1	0	0	0	110.6	L392 W395 P414 F415 L441 W462	L392-P439 HydrophobicContact CD2-CG 3.76Å; W395-P439 HydrophobicContact CD2-CB 3.56Å; W395-P439 HydrophobicContact CD2-CG 4.33Å; W395-P439 HydrophobicContact CE3-CB 4.08Å; W395-P439 HydrophobicContact CG-CB 3.94Å; W395-P439 HydrophobicContact CH2-CB 4.23Å; W395-P439 HydrophobicContact CZ2-CB 3.71Å; W395-P439 HydrophobicContact CZ3-CB 4.4Å; P414-P439 HydrophobicContact CB-CG 3.96Å; F415-P439 HydrophobicContact CD1-CG 4.31Å; F415-P439 HydrophobicContact CE1-CG 4.09Å; F415-P439 HydrophobicContact CE2-CG 4.31Å; F415-P439 HydrophobicContact CZ-CG 4.08Å; P439-L441 PolarHBondContact O-N 3.3Å; P439-W462 HydrophobicContact CB-CH2 4.21Å; P439-W462 HydrophobicContact CB-CZ3 4.39Å; P439-W462 HydrophobicContact CG-CH2 4.29Å; P439-W462 HydrophobicContact CG-CZ3 4.04Å
440	V	96.5	Very high	96.4	Very high	68 Å²	68	60.8 Å²	60.8	41%	0.412	29%	0.291	S	S	.	.			trans	-65.5	126.4	-172.9	178.5	0	0	0	0	111.1	W395 R438	W395-V440 PolarHBondContact NE1-O 2.93Å; R438-V440 PolarHBondContact O-N 3.27Å
441	L	97.1	Very high	96.3	Very high	25 Å²	25	57.1 Å²	57.1	13%	0.131	27%	0.274	C	S	.	.			trans	-85.8	114.8	165.9	-62.4	169.6	0	0	0	107.9	P439 W445 C455 I458 E459 W462	P439-L441 PolarHBondContact O-N 3.3Å; L441-W445 HydrophobicContact CD2-CE3 4.25Å; L441-W445 HydrophobicContact CD2-CZ3 4Å; L441-C455 HydrophobicContact CD1-CB 4.08Å; L441-C455 HydrophobicContact CD2-CB 4.38Å; L441-I458 HydrophobicContact CD2-CD1 4.39Å; L441-I458 HydrophobicContact CD2-CG2 4.27Å; L441-E459 HydrophobicContact CD1-CG 3.44Å; L441-E459 VanDerWaalsContact CD1-CG 3.44Å; L441-W462 HydrophobicContact CD1-CZ2 4.17Å; L441-W462 HydrophobicContact CD2-CH2 4.18Å; L441-W462 HydrophobicContact CD2-CZ2 4.22Å; L441-W462 HydrophobicContact CG-CH2 4.5Å; L441-W462 HydrophobicContact CG-CZ2 4.17Å
442	R	96.1	Very high	96.2	Very high	45 Å²	45	57.6 Å²	57.6	17%	0.17	28%	0.279	C	S	.	.			trans	-67.7	136.9	-173.5	-56.3	-90.4	-173	-116.9	1.2	110.5	D409 E417 Y444 W445	D409-R442 IonicContact OD2-CZ 2.67Å; D409-R442 IonicContact OD2-NE 3.29Å; D409-R442 PolarHBondContact OD2-NE 2.85Å; D409-R442 IonicContact OD2-NH2 2.91Å; D409-R442 PolarHBondContact OD2-NH2 2.73Å; E417-R442 IonicContact OE2-NH1 3.12Å; R442-Y444 HydrophobicContact CB-CD1 3.9Å; R442-Y444 HydrophobicContact CB-CE1 3.53Å; R442-Y444 HydrophobicContact CB-CE2 4.32Å; R442-Y444 HydrophobicContact CB-CG 4.43Å; R442-Y444 HydrophobicContact CG-CE1 3.87Å; R442-Y444 PolarHBondContact O-N 3.17Å; R442-Y444 VanDerWaalsContact O-N 3.16Å; R442-W445 HydrophobicContact CB-CD2 3.75Å; R442-W445 HydrophobicContact CB-CE3 4.4Å; R442-W445 HydrophobicContact CB-CG 3.88Å; R442-W445 HydrophobicContact CB-CZ2 4.06Å; R442-W445 HydrophobicContact CG-CD2 4.03Å; R442-W445 VanDerWaalsContact CG-CE2 3.4Å; R442-W445 HydrophobicContact CG-CH2 4Å; R442-W445 HydrophobicContact CG-CZ2 3.35Å; R442-W445 VanDerWaalsContact O-CB 3.27Å; R442-W445 WeakPolarHBondContact O-CB 3.46Å; R442-W445 PolarHBondContact O-N 2.71Å
443	D	95.3	Very high	96.1	Very high	141 Å²	141	60.4 Å²	60.4	75%	0.754	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-34.9	-179.2	-65.1	-26.2	0	0	0	113.5	W445 Q446	D443-W445 VanDerWaalsContact C-N 3.28Å; D443-W445 PolarHBondContact O-N 3.01Å; D443-Q446 WeakPolarHBondContact O-CB 3.32Å; D443-Q446 PolarHBondContact O-N 3.01Å
444	Y	94.5	Very high	96.1	Very high	42 Å²	42	60.1 Å²	60.1	17%	0.165	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-18.4	179.5	59.5	-93.3	0	0	0	113.3	A404 P407 R442 Q446 K447	A404-Y444 HydrophobicContact CB-CD2 3.95Å; P407-Y444 WeakPolarHBondContact O-CE2 3.18Å; P407-Y444 PolarHBondContact O-OH 3.07Å; R442-Y444 HydrophobicContact CB-CD1 3.9Å; R442-Y444 HydrophobicContact CB-CE1 3.53Å; R442-Y444 HydrophobicContact CB-CE2 4.32Å; R442-Y444 HydrophobicContact CB-CG 4.43Å; R442-Y444 HydrophobicContact CG-CE1 3.87Å; R442-Y444 PolarHBondContact O-N 3.17Å; R442-Y444 VanDerWaalsContact O-N 3.16Å; Y444-Q446 VanDerWaalsContact C-N 3.26Å; Y444-Q446 PolarHBondContact O-N 3.11Å; Y444-K447 WeakPolarHBondContact O-CB 3.27Å; Y444-K447 PolarHBondContact O-N 2.8Å
445	W	96.7	Very high	96.2	Very high	5 Å²	5	54 Å²	54	2%	0.019	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-64.7	-34.9	171.1	-61.9	-8	0	0	0	111.4	W395 A398 S399 L441 R442 D443 K447 H448 M451	W395-W445 AromaticContact CD1-CZ3 3.96Å; W395-W445 AromaticContact NE1-CH2 3.86Å; W395-W445 AromaticContact NE1-CZ3 3.91Å; A398-W445 HydrophobicContact CB-CE3 4.2Å; A398-W445 HydrophobicContact CB-CH2 4.4Å; A398-W445 HydrophobicContact CB-CZ3 3.95Å; S399-W445 VanDerWaalsContact CA-CZ2 3.46Å; L441-W445 HydrophobicContact CD2-CE3 4.25Å; L441-W445 HydrophobicContact CD2-CZ3 4Å; R442-W445 HydrophobicContact CB-CD2 3.75Å; R442-W445 HydrophobicContact CB-CE3 4.4Å; R442-W445 HydrophobicContact CB-CG 3.88Å; R442-W445 HydrophobicContact CB-CZ2 4.06Å; R442-W445 HydrophobicContact CG-CD2 4.03Å; R442-W445 VanDerWaalsContact CG-CE2 3.4Å; R442-W445 HydrophobicContact CG-CH2 4Å; R442-W445 HydrophobicContact CG-CZ2 3.35Å; R442-W445 VanDerWaalsContact O-CB 3.27Å; R442-W445 WeakPolarHBondContact O-CB 3.46Å; R442-W445 PolarHBondContact O-N 2.71Å; D443-W445 VanDerWaalsContact C-N 3.28Å; D443-W445 PolarHBondContact O-N 3.01Å; W445-K447 PolarHBondContact O-N 3.49Å; W445-K447 VanDerWaalsContact O-N 3.15Å; W445-H448 PolarHBondContact O-N 2.87Å; W445-M451 HydrophobicContact CB-CB 4.38Å; W445-M451 HydrophobicContact CB-CE 3.74Å; W445-M451 HydrophobicContact CB-SD 4.49Å; W445-M451 HydrophobicContact CD2-CE 3.82Å; W445-M451 HydrophobicContact CE3-CE 4.49Å; W445-M451 HydrophobicContact CG-CE 3.43Å; W445-M451 VanDerWaalsContact CG-CE 3.43Å; W445-M451 VanDerWaalsContact O-CB 3.22Å; W445-M451 WeakPolarHBondContact O-CB 3.43Å
446	Q	94.6	Very high	96.2	Very high	80 Å²	80	53.6 Å²	53.6	37%	0.374	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-65.7	-15.9	179.5	-58.1	-72.3	12.8	0	0	113.2	D443 Y444 A452	D443-Q446 WeakPolarHBondContact O-CB 3.32Å; D443-Q446 PolarHBondContact O-N 3.01Å; Y444-Q446 VanDerWaalsContact C-N 3.26Å; Y444-Q446 PolarHBondContact O-N 3.11Å; Q446-A452 VanDerWaalsContact OE1-CA 3.24Å
447	K	93.6	Very high	96.3	Very high	160 Å²	160	47.7 Å²	47.7	70%	0.696	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-75.4	-27.2	177.6	-62.2	179.9	-178.3	175.7	0	112.8	Y444 W445	Y444-K447 WeakPolarHBondContact O-CB 3.27Å; Y444-K447 PolarHBondContact O-N 2.8Å; W445-K447 PolarHBondContact O-N 3.49Å; W445-K447 VanDerWaalsContact O-N 3.15Å
448	H	94	Very high	96.3	Very high	44 Å²	44	42.9 Å²	42.9	20%	0.204	22%	0.216	C	C	.	.	S	Bend	trans	-88.2	118.1	174.7	174.8	-87.6	0	0	0	109.1	W286 W445 G450 M451 A452	W286-H448 AromaticContact CD2-CE1 3.56Å; W286-H448 AromaticContact CE2-CE1 3.79Å; W286-H448 AromaticContact CE3-CE1 3.75Å; W286-H448 AromaticContact CG-CE1 3.99Å; W445-H448 PolarHBondContact O-N 2.87Å; H448-G450 VanDerWaalsContact C-N 3.29Å; H448-G450 PolarHBondContact ND1-N 2.94Å; H448-G450 PolarHBondContact O-N 3.3Å; H448-G450 VanDerWaalsContact O-N 3.15Å; H448-M451 HydrophobicContact CB-CB 4.07Å; H448-M451 HydrophobicContact CB-CG 4.29Å; H448-M451 HydrophobicContact CB-SD 4.44Å; H448-M451 PolarHBondContact ND1-N 3.44Å; H448-M451 WeakPolarHBondContact O-CA 3.48Å; H448-M451 PolarHBondContact O-N 3.5Å; H448-A452 PolarHBondContact O-N 3.47Å
449	A	93	Very high	96.3	Very high	57 Å²	57	45.4 Å²	45.4	47%	0.471	23%	0.23	S	C	.	.	H	α-helix	trans	-52.3	-43.2	-171.6	0	0	0	0	0	113.7	M453 I489	A449-M453 WeakPolarHBondContact O-CG 3.49Å; A449-M453 PolarHBondContact O-N 3.21Å; A449-I489 HydrophobicContact CB-CD1 4.45Å
450	G	95.1	Very high	96.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-69.3	-34.8	176.8	0	0	0	0	0	113.6	W286 H448 M453 L454	W286-G450 WeakPolarHBondContact CH2-O 3.29Å; H448-G450 VanDerWaalsContact C-N 3.29Å; H448-G450 PolarHBondContact ND1-N 2.94Å; H448-G450 PolarHBondContact O-N 3.3Å; H448-G450 VanDerWaalsContact O-N 3.15Å; G450-M453 PolarHBondContact O-N 2.89Å; G450-L454 PolarHBondContact O-N 3.43Å
451	M	95.6	Very high	96.5	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-74.5	-32.9	179.9	-77.8	-173.1	79.6	0	0	110.7	W286 A398 C401 A403 A404 W445 H448 L454 C455	W286-M451 HydrophobicContact CE3-CG 3.93Å; W286-M451 HydrophobicContact CZ3-CB 4.44Å; W286-M451 HydrophobicContact CZ3-CG 3.63Å; A398-M451 HydrophobicContact CB-CE 4.47Å; C401-M451 HydrophobicContact CB-CE 4.11Å; C401-M451 HydrophobicContact CB-SD 4.42Å; A403-M451 HydrophobicContact CB-CG 4.39Å; A403-M451 HydrophobicContact CB-SD 3.9Å; A404-M451 HydrophobicContact CB-CE 4.42Å; A404-M451 HydrophobicContact CB-SD 3.66Å; W445-M451 HydrophobicContact CB-CB 4.38Å; W445-M451 HydrophobicContact CB-CE 3.74Å; W445-M451 HydrophobicContact CB-SD 4.49Å; W445-M451 HydrophobicContact CD2-CE 3.82Å; W445-M451 HydrophobicContact CE3-CE 4.49Å; W445-M451 HydrophobicContact CG-CE 3.43Å; W445-M451 VanDerWaalsContact CG-CE 3.43Å; W445-M451 VanDerWaalsContact O-CB 3.22Å; W445-M451 WeakPolarHBondContact O-CB 3.43Å; H448-M451 HydrophobicContact CB-CB 4.07Å; H448-M451 HydrophobicContact CB-CG 4.29Å; H448-M451 HydrophobicContact CB-SD 4.44Å; H448-M451 PolarHBondContact ND1-N 3.44Å; H448-M451 WeakPolarHBondContact O-CA 3.48Å; H448-M451 PolarHBondContact O-N 3.5Å; M451-L454 WeakPolarHBondContact O-CB 3.34Å; M451-L454 PolarHBondContact O-N 2.95Å; M451-C455 PolarHBondContact O-N 3.08Å; M451-C455 PolarHBondContact O-SG 3.47Å
452	A	96.1	Very high	96.6	Very high	17 Å²	17	44.1 Å²	44.1	14%	0.14	22%	0.218	C	C	.	.	H	α-helix	trans	-58.7	-48.6	171.6	0	0	0	0	0	111.8	Q446 H448 L454 C455 E456	Q446-A452 VanDerWaalsContact OE1-CA 3.24Å; H448-A452 PolarHBondContact O-N 3.47Å; A452-L454 VanDerWaalsContact C-N 3.29Å; A452-L454 PolarHBondContact O-N 3.35Å; A452-C455 WeakPolarHBondContact O-CB 3.2Å; A452-C455 PolarHBondContact O-N 2.84Å; A452-C455 VanDerWaalsContact O-N 3.16Å; A452-E456 PolarHBondContact O-N 3Å; A452-E456 VanDerWaalsContact O-N 3.09Å
453	M	96.9	Very high	96.7	Very high	59 Å²	59	45 Å²	45	29%	0.291	23%	0.226	S	C	.	.	H	α-helix	trans	-62.3	-36.2	174.9	-63.7	177.9	69.8	0	0	112.5	A449 G450 T457 M482 L485	A449-M453 WeakPolarHBondContact O-CG 3.49Å; A449-M453 PolarHBondContact O-N 3.21Å; G450-M453 PolarHBondContact O-N 2.89Å; M453-T457 WeakPolarHBondContact O-CB 3.27Å; M453-T457 PolarHBondContact O-N 3.44Å; M453-T457 PolarHBondContact O-OG1 3.45Å; M453-M482 HydrophobicContact CB-CE 3.77Å; M453-M482 HydrophobicContact CB-CG 3.75Å; M453-M482 HydrophobicContact CB-SD 3.98Å; M453-M482 HydrophobicContact CE-CG 3.79Å; M453-M482 HydrophobicContact CG-CG 4.47Å; M453-M482 WeakPolarHBondContact O-CE 3.47Å; M453-M482 HydrophobicContact SD-CG 3.92Å; M453-L485 HydrophobicContact CE-CD1 4.2Å; M453-L485 HydrophobicContact SD-CD1 4.17Å
454	L	98.1	Very high	96.8	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-65.1	-42.4	174.9	179.9	66.9	0	0	0	111.2	W286 L289 A398 G450 M451 A452 T457 I458 M482	W286-L454 HydrophobicContact CZ3-CD2 4.42Å; L289-L454 HydrophobicContact CD1-CD2 3.99Å; L289-L454 HydrophobicContact CD2-CD2 3.64Å; L289-L454 HydrophobicContact CG-CD2 4.47Å; A398-L454 HydrophobicContact CB-CD2 3.98Å; G450-L454 PolarHBondContact O-N 3.43Å; M451-L454 WeakPolarHBondContact O-CB 3.34Å; M451-L454 PolarHBondContact O-N 2.95Å; A452-L454 VanDerWaalsContact C-N 3.29Å; A452-L454 PolarHBondContact O-N 3.35Å; L454-T457 WeakPolarHBondContact O-CB 3.45Å; L454-T457 PolarHBondContact O-N 3.18Å; L454-I458 HydrophobicContact CD1-CD1 4.36Å; L454-I458 HydrophobicContact CD1-CG1 4.44Å; L454-I458 HydrophobicContact CD2-CD1 4.44Å; L454-I458 HydrophobicContact CG-CD1 3.88Å; L454-I458 HydrophobicContact CG-CG1 4.4Å; L454-I458 WeakPolarHBondContact O-CB 3.48Å; L454-I458 VanDerWaalsContact O-CG1 3.26Å; L454-I458 WeakPolarHBondContact O-CG1 3.46Å; L454-I458 PolarHBondContact O-N 3.31Å; L454-M482 HydrophobicContact CB-SD 4.26Å
455	C	98.3	Very high	96.9	Very high	1 Å²	1	43 Å²	43	1%	0.007	22%	0.216	C	C	.	.	H	α-helix	trans	-57	-49	174.8	-72.4	0	0	0	0	111.2	L441 M451 A452 T457 I458 E459	L441-C455 HydrophobicContact CD1-CB 4.08Å; L441-C455 HydrophobicContact CD2-CB 4.38Å; M451-C455 PolarHBondContact O-N 3.08Å; M451-C455 PolarHBondContact O-SG 3.47Å; A452-C455 WeakPolarHBondContact O-CB 3.2Å; A452-C455 PolarHBondContact O-N 2.84Å; A452-C455 VanDerWaalsContact O-N 3.16Å; C455-T457 VanDerWaalsContact C-N 3.3Å; C455-T457 PolarHBondContact O-N 3.24Å; C455-I458 WeakPolarHBondContact O-CB 3.4Å; C455-I458 PolarHBondContact O-N 2.74Å; C455-I458 VanDerWaalsContact O-N 3.16Å; C455-E459 WeakPolarHBondContact O-CG 3.25Å; C455-E459 PolarHBondContact O-N 2.79Å
456	E	98.1	Very high	96.9	Very high	105 Å²	105	43.9 Å²	43.9	49%	0.491	22%	0.224	S	C	.	.	H	α-helix	trans	-58.4	-42.7	175.4	-67.5	173.4	-169.2	0	0	111.7	A452 I458 E459 E460	A452-E456 PolarHBondContact O-N 3Å; A452-E456 VanDerWaalsContact O-N 3.09Å; E456-I458 VanDerWaalsContact C-N 3.34Å; E456-I458 PolarHBondContact O-N 3.37Å; E456-E459 PolarHBondContact O-N 3.41Å; E456-E460 WeakPolarHBondContact O-CG 3.34Å; E456-E460 PolarHBondContact O-N 3.3Å
457	T	98.6	Very high	97.1	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-64.2	-39.5	177.8	-59.5	0	0	0	0	111.9	M453 L454 C455 C461 L470 V475 R478 M482	M453-T457 WeakPolarHBondContact O-CB 3.27Å; M453-T457 PolarHBondContact O-N 3.44Å; M453-T457 PolarHBondContact O-OG1 3.45Å; L454-T457 WeakPolarHBondContact O-CB 3.45Å; L454-T457 PolarHBondContact O-N 3.18Å; C455-T457 VanDerWaalsContact C-N 3.3Å; C455-T457 PolarHBondContact O-N 3.24Å; T457-C461 WeakPolarHBondContact O-CB 3.44Å; T457-C461 PolarHBondContact O-N 3.09Å; T457-C461 PolarHBondContact O-SG 3.35Å; T457-L470 HydrophobicContact CG2-CD1 3.86Å; T457-V475 HydrophobicContact CG2-CG1 4.13Å; T457-V475 HydrophobicContact CG2-CG2 4.14Å; T457-R478 WeakPolarHBondContact OG1-CD 3.26Å; T457-M482 WeakPolarHBondContact OG1-CE 3.4Å
458	I	98.8	Very high	97.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.6	-45.4	174.7	-72.5	166.2	0	0	0	110.1	L394 W395 A398 L441 L454 C455 E456 E460 C461 W462	L394-I458 HydrophobicContact CB-CD1 4.01Å; L394-I458 HydrophobicContact CB-CG1 3.59Å; L394-I458 HydrophobicContact CD1-CG1 4.32Å; W395-I458 HydrophobicContact CB-CD1 4.45Å; W395-I458 HydrophobicContact CB-CG2 4.37Å; A398-I458 HydrophobicContact CB-CD1 4.24Å; L441-I458 HydrophobicContact CD2-CD1 4.39Å; L441-I458 HydrophobicContact CD2-CG2 4.27Å; L454-I458 HydrophobicContact CD1-CD1 4.36Å; L454-I458 HydrophobicContact CD1-CG1 4.44Å; L454-I458 HydrophobicContact CD2-CD1 4.44Å; L454-I458 HydrophobicContact CG-CD1 3.88Å; L454-I458 HydrophobicContact CG-CG1 4.4Å; L454-I458 WeakPolarHBondContact O-CB 3.48Å; L454-I458 VanDerWaalsContact O-CG1 3.26Å; L454-I458 WeakPolarHBondContact O-CG1 3.46Å; L454-I458 PolarHBondContact O-N 3.31Å; C455-I458 WeakPolarHBondContact O-CB 3.4Å; C455-I458 PolarHBondContact O-N 2.74Å; C455-I458 VanDerWaalsContact O-N 3.16Å; E456-I458 VanDerWaalsContact C-N 3.34Å; E456-I458 PolarHBondContact O-N 3.37Å; I458-E460 VanDerWaalsContact C-N 3.35Å; I458-E460 PolarHBondContact O-N 3.35Å; I458-C461 WeakPolarHBondContact O-CB 3.44Å; I458-C461 PolarHBondContact O-N 3.43Å; I458-C461 VanDerWaalsContact O-N 3.11Å; I458-W462 HydrophobicContact CG2-CD2 3.65Å; I458-W462 VanDerWaalsContact CG2-CE2 3.49Å; I458-W462 HydrophobicContact CG2-CE3 3.53Å; I458-W462 HydrophobicContact CG2-CH2 3.17Å; I458-W462 HydrophobicContact CG2-CZ2 3.27Å; I458-W462 HydrophobicContact CG2-CZ3 3.31Å; I458-W462 VanDerWaalsContact O-CG 3.29Å; I458-W462 PolarHBondContact O-N 3.23Å; I458-W462 VanDerWaalsContact O-N 3.09Å
459	E	98.5	Very high	97.5	Very high	96 Å²	96	40.8 Å²	40.8	45%	0.449	22%	0.221	S	C	.	.	H	α-helix	trans	-58.1	-45.1	178.5	-72.3	-178.8	136.7	0	0	112.8	L441 C455 E456 D463	L441-E459 HydrophobicContact CD1-CG 3.44Å; L441-E459 VanDerWaalsContact CD1-CG 3.44Å; C455-E459 WeakPolarHBondContact O-CG 3.25Å; C455-E459 PolarHBondContact O-N 2.79Å; E456-E459 PolarHBondContact O-N 3.41Å; E459-D463 PolarHBondContact O-N 3.34Å
460	E	98.6	Very high	97.7	Very high	62 Å²	62	39 Å²	39	29%	0.29	20%	0.203	S	C	.	.	H	α-helix	trans	-69.8	-32.9	175.5	-65.5	177.3	-144	0	0	112.4	E456 I458 W462 R469 L470 R478	E456-E460 WeakPolarHBondContact O-CG 3.34Å; E456-E460 PolarHBondContact O-N 3.3Å; I458-E460 VanDerWaalsContact C-N 3.35Å; I458-E460 PolarHBondContact O-N 3.35Å; E460-W462 PolarHBondContact O-N 3Å; E460-R469 VanDerWaalsContact O-CA 3.27Å; E460-R469 WeakPolarHBondContact O-CA 3.35Å; E460-L470 HydrophobicContact CB-CD1 3.79Å; E460-L470 HydrophobicContact CB-CG 3.76Å; E460-L470 VanDerWaalsContact OE2-CD2 3.23Å; E460-L470 WeakPolarHBondContact OE2-CD2 3.46Å; E460-L470 WeakPolarHBondContact OE2-CG 3.47Å; E460-R478 IonicContact OE1-CZ 2.84Å; E460-R478 IonicContact OE1-NH1 2.91Å; E460-R478 PolarHBondContact OE1-NH1 2.95Å; E460-R478 IonicContact OE1-NH2 2.81Å; E460-R478 PolarHBondContact OE1-NH2 3.06Å; E460-R478 VanDerWaalsContact OE1-NH2 3.17Å; E460-R478 IonicContact OE2-CZ 3.27Å; E460-R478 VanDerWaalsContact OE2-CZ 3.26Å; E460-R478 IonicContact OE2-NH1 2.97Å; E460-R478 PolarHBondContact OE2-NH1 3.02Å; E460-R478 VanDerWaalsContact OE2-NH1 3.11Å; E460-R478 IonicContact OE2-NH2 2.87Å; E460-R478 PolarHBondContact OE2-NH2 3.48Å
461	C	98.8	Very high	97.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.9	-39.6	177.3	-74.1	0	0	0	0	112.5	M387 Y388 T457 I458 R469 V475	M387-C461 CarbonylContact C-O 3.49Å; Y388-C461 WeakPolarHBondContact CA-O 3.41Å; Y388-C461 PolarHBondContact N-O 2.96Å; T457-C461 WeakPolarHBondContact O-CB 3.44Å; T457-C461 PolarHBondContact O-N 3.09Å; T457-C461 PolarHBondContact O-SG 3.35Å; I458-C461 WeakPolarHBondContact O-CB 3.44Å; I458-C461 PolarHBondContact O-N 3.43Å; I458-C461 VanDerWaalsContact O-N 3.11Å; C461-R469 VanDerWaalsContact O-CD 3.25Å; C461-R469 WeakPolarHBondContact O-CD 3.43Å; C461-R469 WeakPolarHBondContact O-CG 3.13Å; C461-V475 WeakPolarHBondContact SG-CG2 3.41Å
462	W	98.4	Very high	98	Very high	9 Å²	9	41.6 Å²	41.6	3%	0.034	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	23.3	-176	66	26.4	0	0	0	114	Y388 L392 W395 R438 P439 L441 I458 E460	Y388-W462 HydrophobicContact CD2-CB 3.75Å; Y388-W462 HydrophobicContact CE2-CB 3.77Å; Y388-W462 WeakPolarHBondContact CE2-O 3.35Å; Y388-W462 HydrophobicContact CG-CB 4.46Å; L392-W462 HydrophobicContact CD2-CE3 3.63Å; L392-W462 HydrophobicContact CD2-CZ3 3.92Å; L392-W462 HydrophobicContact CG-CE3 4.26Å; W395-W462 HydrophobicContact CB-CH2 3.8Å; W395-W462 HydrophobicContact CB-CZ3 3.48Å; W395-W462 VanDerWaalsContact CB-CZ3 3.48Å; W395-W462 AromaticContact CD1-CH2 3.61Å; W395-W462 AromaticContact CG-CH2 3.85Å; W395-W462 HydrophobicContact CG-CH2 3.85Å; W395-W462 AromaticContact CG-CZ3 3.92Å; W395-W462 HydrophobicContact CG-CZ3 3.92Å; R438-W462 HydrophobicContact CB-CZ2 4.02Å; R438-W462 HydrophobicContact CG-CD2 4.45Å; R438-W462 HydrophobicContact CG-CG 4.37Å; R438-W462 PolarHBondContact NE-O 2.86Å; R438-W462 PolarHBondContact NH2-O 2.82Å; P439-W462 HydrophobicContact CB-CH2 4.21Å; P439-W462 HydrophobicContact CB-CZ3 4.39Å; P439-W462 HydrophobicContact CG-CH2 4.29Å; P439-W462 HydrophobicContact CG-CZ3 4.04Å; L441-W462 HydrophobicContact CD1-CZ2 4.17Å; L441-W462 HydrophobicContact CD2-CH2 4.18Å; L441-W462 HydrophobicContact CD2-CZ2 4.22Å; L441-W462 HydrophobicContact CG-CH2 4.5Å; L441-W462 HydrophobicContact CG-CZ2 4.17Å; I458-W462 HydrophobicContact CG2-CD2 3.65Å; I458-W462 VanDerWaalsContact CG2-CE2 3.49Å; I458-W462 HydrophobicContact CG2-CE3 3.53Å; I458-W462 HydrophobicContact CG2-CH2 3.17Å; I458-W462 HydrophobicContact CG2-CZ2 3.27Å; I458-W462 HydrophobicContact CG2-CZ3 3.31Å; I458-W462 VanDerWaalsContact O-CG 3.29Å; I458-W462 PolarHBondContact O-N 3.23Å; I458-W462 VanDerWaalsContact O-N 3.09Å; E460-W462 PolarHBondContact O-N 3Å
463	D	98.4	Very high	98.2	Very high	62 Å²	62	42.2 Å²	42.2	33%	0.332	23%	0.229	S	C	.	.			trans	-51.9	143.9	175.9	-160.4	-61.6	0	0	0	110.4	E459 D465 A468 R469	E459-D463 PolarHBondContact O-N 3.34Å; D463-D465 VanDerWaalsContact C-N 3.28Å; D463-D465 PolarHBondContact OD1-N 2.87Å; D463-A468 HydrophobicContact CB-CB 4.12Å; D463-R469 HydrophobicContact CB-CG 4.12Å; D463-R469 PolarHBondContact O-NE 2.69Å; D463-R469 PolarHBondContact O-NH2 3.42Å
464	H	97.8	Very high	98.2	Very high	56 Å²	56	41.9 Å²	41.9	26%	0.259	23%	0.232	S	C	.	.	S	Bend	trans	-63.8	-38.1	177.2	-173.6	86.3	0	0	0	111	K436 R469	K436-H464 WeakPolarHBondContact CE-NE2 3.49Å; K436-H464 PolarHBondContact NZ-NE2 3.47Å; H464-R469 PolarHBondContact O-NH2 3.2Å
465	D	97.3	Very high	98.2	Very high	86 Å²	86	41.8 Å²	41.8	46%	0.46	23%	0.232	S	C	.	.	S	Bend	trans	-78.9	118.5	170.9	-175.5	-0.4	0	0	0	110.7	D463 E467 A468	D463-D465 VanDerWaalsContact C-N 3.28Å; D463-D465 PolarHBondContact OD1-N 2.87Å; D465-E467 PolarHBondContact O-N 3.22Å; D465-E467 PolarHBondContact OD1-N 3.47Å; D465-A468 HydrophobicContact CB-CB 4.21Å; D465-A468 PolarHBondContact O-N 2.99Å
466	A	97.5	Very high	98.2	Very high	23 Å²	23	42.2 Å²	42.2	19%	0.19	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-61.5	-31.8	179.2	0	0	0	0	0	112.9	R384 A468 R469	R384-A466 HydrophobicContact CB-CB 4.13Å; R384-A466 VanDerWaalsContact CG-O 3.3Å; R384-A466 WeakPolarHBondContact CG-O 3.43Å; R384-A466 PolarHBondContact NH1-O 3.44Å; A466-A468 VanDerWaalsContact C-N 3.31Å; A466-A468 PolarHBondContact O-N 2.98Å; A466-R469 PolarHBondContact O-N 2.88Å
467	E	96.8	Very high	98.2	Very high	163 Å²	163	43.3 Å²	43.3	76%	0.762	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-72.2	-24.8	-179.1	-67.2	-167.9	173.7	0	0	112.9	R384 D465 R469	R384-E467 VanDerWaalsContact NH1-CA 3.28Å; R384-E467 PolarHBondContact NH1-O 3.37Å; D465-E467 PolarHBondContact O-N 3.22Å; D465-E467 PolarHBondContact OD1-N 3.47Å; E467-R469 VanDerWaalsContact C-N 3.32Å
468	A	97.7	Very high	98.2	Very high	50 Å²	50	46.6 Å²	46.6	41%	0.413	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-77.6	-15.9	175.9	0	0	0	0	0	113.4	D463 D465 A466	D463-A468 HydrophobicContact CB-CB 4.12Å; D465-A468 HydrophobicContact CB-CB 4.21Å; D465-A468 PolarHBondContact O-N 2.99Å; A466-A468 VanDerWaalsContact C-N 3.31Å; A466-A468 PolarHBondContact O-N 2.98Å
469	R	98.6	Very high	98.1	Very high	6 Å²	6	46.7 Å²	46.7	2%	0.023	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-68.8	139.4	-173.9	-59.9	177	-165.4	142.5	12.7	113.4	E369 R384 M387 E460 C461 D463 H464 A466 E467	E369-R469 IonicContact OE1-CZ 3.28Å; E369-R469 IonicContact OE1-NH1 3.59Å; E369-R469 PolarHBondContact OE1-NH1 2.76Å; E369-R469 IonicContact OE1-NH2 2.65Å; E369-R469 PolarHBondContact OE1-NH2 2.85Å; E369-R469 IonicContact OE2-CZ 3.81Å; E369-R469 IonicContact OE2-NH1 2.73Å; E369-R469 PolarHBondContact OE2-NH1 3.48Å; E369-R469 IonicContact OE2-NH2 3.66Å; E369-R469 PolarHBondContact OE2-NH2 2.97Å; R384-R469 PolarHBondContact NH1-O 3.47Å; R384-R469 VanDerWaalsContact NH1-O 3.14Å; R384-R469 WeakPolarHBondContact O-CD 3.45Å; R384-R469 PolarHBondContact O-NH1 3.25Å; M387-R469 HydrophobicContact CB-CB 4.4Å; E460-R469 VanDerWaalsContact O-CA 3.27Å; E460-R469 WeakPolarHBondContact O-CA 3.35Å; C461-R469 VanDerWaalsContact O-CD 3.25Å; C461-R469 WeakPolarHBondContact O-CD 3.43Å; C461-R469 WeakPolarHBondContact O-CG 3.13Å; D463-R469 HydrophobicContact CB-CG 4.12Å; D463-R469 PolarHBondContact O-NE 2.69Å; D463-R469 PolarHBondContact O-NH2 3.42Å; H464-R469 PolarHBondContact O-NH2 3.2Å; A466-R469 PolarHBondContact O-N 2.88Å; E467-R469 VanDerWaalsContact C-N 3.32Å
470	L	98.5	Very high	98	Very high	19 Å²	19	43.5 Å²	43.5	10%	0.099	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-58.8	154.2	173.9	-72.1	175	0	0	0	112.4	M387 T457 E460 C474 V475	M387-L470 WeakPolarHBondContact CE-O 3.04Å; M387-L470 WeakPolarHBondContact CG-O 3.45Å; T457-L470 HydrophobicContact CG2-CD1 3.86Å; E460-L470 HydrophobicContact CB-CD1 3.79Å; E460-L470 HydrophobicContact CB-CG 3.76Å; E460-L470 VanDerWaalsContact OE2-CD2 3.23Å; E460-L470 WeakPolarHBondContact OE2-CD2 3.46Å; E460-L470 WeakPolarHBondContact OE2-CG 3.47Å; L470-C474 HydrophobicContact CD2-CB 4.11Å; L470-V475 HydrophobicContact CB-CG2 3.94Å; L470-V475 HydrophobicContact CD1-CG2 4.05Å
471	S	98.6	Very high	97.7	Very high	56 Å²	56	45.5 Å²	45.5	39%	0.392	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-83.5	154.9	164.9	79.4	0	0	0	0	111	G473 C474 V475	S471-G473 PolarHBondContact O-N 3.21Å; S471-C474 WeakPolarHBondContact O-CB 3.28Å; S471-C474 PolarHBondContact O-N 3.1Å; S471-C474 VanDerWaalsContact O-N 3.13Å; S471-C474 PolarHBondContact OG-N 3.21Å; S471-C474 PolarHBondContact OG-SG 3.07Å; S471-V475 WeakPolarHBondContact O-CG2 3.3Å; S471-V475 PolarHBondContact O-N 2.97Å; S471-V475 VanDerWaalsContact O-N 3.08Å
472	A	98.7	Very high	97.5	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-59.8	-33.8	177.1	0	0	0	0	0	112.7	L300 A301 M387 V475 G476	L300-A472 HydrophobicContact CB-CB 3.92Å; L300-A472 HydrophobicContact CD2-CB 4.14Å; L300-A472 HydrophobicContact CG-CB 3.93Å; A301-A472 HydrophobicContact CB-CB 3.85Å; M387-A472 HydrophobicContact CE-CB 4.26Å; M387-A472 HydrophobicContact SD-CB 3.7Å; M387-A472 PolarHBondContact SD-N 3.14Å; A472-V475 PolarHBondContact O-N 3.24Å; A472-G476 PolarHBondContact O-N 2.9Å
473	G	98.3	Very high	97.1	Very high	29 Å²	29	47.2 Å²	47.2	30%	0.299	26%	0.259	S	S	.	.	H	α-helix	trans	-62.3	-47.9	173.9	0	0	0	0	0	112	S471 V475 G476 E477	S471-G473 PolarHBondContact O-N 3.21Å; G473-V475 VanDerWaalsContact C-N 3.29Å; G473-V475 PolarHBondContact O-N 3.01Å; G473-G476 PolarHBondContact O-N 3.09Å; G473-E477 PolarHBondContact O-N 3.28Å
474	C	98.3	Very high	96.6	Very high	52 Å²	52	52.4 Å²	52.4	35%	0.351	27%	0.274	S	S	.	.	H	α-helix	trans	-58.4	-41.5	176	-65.2	0	0	0	0	111.9	L470 S471 E477 R478	L470-C474 HydrophobicContact CD2-CB 4.11Å; S471-C474 WeakPolarHBondContact O-CB 3.28Å; S471-C474 PolarHBondContact O-N 3.1Å; S471-C474 VanDerWaalsContact O-N 3.13Å; S471-C474 PolarHBondContact OG-N 3.21Å; S471-C474 PolarHBondContact OG-SG 3.07Å; C474-E477 PolarHBondContact O-N 3.47Å; C474-R478 WeakPolarHBondContact O-CB 3.46Å; C474-R478 WeakPolarHBondContact O-CG 2.98Å; C474-R478 PolarHBondContact O-N 3.18Å
475	V	98.7	Very high	96	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-46.3	177.4	175.2	0	0	0	0	111.1	A297 M387 M390 L394 T457 C461 L470 S471 A472 G473 E477 R478 I479	A297-V475 HydrophobicContact CB-CB 4.45Å; A297-V475 HydrophobicContact CB-CG1 4.19Å; M387-V475 HydrophobicContact CE-CG2 3.79Å; M390-V475 HydrophobicContact CE-CB 4.08Å; M390-V475 HydrophobicContact CE-CG1 3.45Å; M390-V475 VanDerWaalsContact CE-CG1 3.45Å; M390-V475 HydrophobicContact SD-CG1 4.43Å; L394-V475 HydrophobicContact CD1-CG1 3.98Å; T457-V475 HydrophobicContact CG2-CG1 4.13Å; T457-V475 HydrophobicContact CG2-CG2 4.14Å; C461-V475 WeakPolarHBondContact SG-CG2 3.41Å; L470-V475 HydrophobicContact CB-CG2 3.94Å; L470-V475 HydrophobicContact CD1-CG2 4.05Å; S471-V475 WeakPolarHBondContact O-CG2 3.3Å; S471-V475 PolarHBondContact O-N 2.97Å; S471-V475 VanDerWaalsContact O-N 3.08Å; A472-V475 PolarHBondContact O-N 3.24Å; G473-V475 VanDerWaalsContact C-N 3.29Å; G473-V475 PolarHBondContact O-N 3.01Å; V475-E477 PolarHBondContact O-N 3.37Å; V475-R478 PolarHBondContact O-N 3.21Å; V475-I479 HydrophobicContact CG1-CD1 3.63Å; V475-I479 HydrophobicContact CG1-CG1 4.43Å; V475-I479 WeakPolarHBondContact O-CD1 3.47Å; V475-I479 VanDerWaalsContact O-CG1 3.29Å; V475-I479 WeakPolarHBondContact O-CG1 3.23Å; V475-I479 PolarHBondContact O-N 2.72Å
476	G	98.1	Very high	95.2	Very high	11 Å²	11	50.2 Å²	50.2	11%	0.113	26%	0.264	C	S	.	.	H	α-helix	trans	-60.3	-42.9	177.3	0	0	0	0	0	113.1	A472 G473 I479 T480	A472-G476 PolarHBondContact O-N 2.9Å; G473-G476 PolarHBondContact O-N 3.09Å; G476-I479 PolarHBondContact O-N 3.39Å; G476-T480 PolarHBondContact O-N 3.29Å; G476-T480 PolarHBondContact O-OG1 2.72Å
477	E	97.6	Very high	94.3	Very high	127 Å²	127	52 Å²	52	59%	0.593	27%	0.271	S	S	*	.	H	α-helix	trans	-63.6	-45.6	175.8	-71.5	179.4	-177.1	0	0	112.2	G473 C474 V475 I479 T480 Q481	G473-E477 PolarHBondContact O-N 3.28Å; C474-E477 PolarHBondContact O-N 3.47Å; V475-E477 PolarHBondContact O-N 3.37Å; E477-I479 PolarHBondContact O-N 2.82Å; E477-T480 WeakPolarHBondContact O-CB 3.46Å; E477-T480 PolarHBondContact O-N 3.29Å; E477-Q481 WeakPolarHBondContact O-CG 3.35Å; E477-Q481 PolarHBondContact O-N 3.06Å
478	R	97.5	Very high	93	Very high	71 Å²	71	48.7 Å²	48.7	27%	0.268	26%	0.257	S	S	.	.	H	α-helix	trans	-58.4	-47.6	176.7	-80.3	-169.2	-176.4	-165.9	7.6	111.4	T457 E460 C474 V475 T480 Q481 M482	T457-R478 WeakPolarHBondContact OG1-CD 3.26Å; E460-R478 IonicContact OE1-CZ 2.84Å; E460-R478 IonicContact OE1-NH1 2.91Å; E460-R478 PolarHBondContact OE1-NH1 2.95Å; E460-R478 IonicContact OE1-NH2 2.81Å; E460-R478 PolarHBondContact OE1-NH2 3.06Å; E460-R478 VanDerWaalsContact OE1-NH2 3.17Å; E460-R478 IonicContact OE2-CZ 3.27Å; E460-R478 VanDerWaalsContact OE2-CZ 3.26Å; E460-R478 IonicContact OE2-NH1 2.97Å; E460-R478 PolarHBondContact OE2-NH1 3.02Å; E460-R478 VanDerWaalsContact OE2-NH1 3.11Å; E460-R478 IonicContact OE2-NH2 2.87Å; E460-R478 PolarHBondContact OE2-NH2 3.48Å; C474-R478 WeakPolarHBondContact O-CB 3.46Å; C474-R478 WeakPolarHBondContact O-CG 2.98Å; C474-R478 PolarHBondContact O-N 3.18Å; V475-R478 PolarHBondContact O-N 3.21Å; R478-T480 VanDerWaalsContact C-N 3.33Å; R478-T480 PolarHBondContact O-N 2.75Å; R478-Q481 WeakPolarHBondContact O-CB 3.35Å; R478-Q481 PolarHBondContact O-N 3.37Å; R478-Q481 VanDerWaalsContact O-N 3.16Å; R478-M482 HydrophobicContact CB-CE 3.81Å; R478-M482 VanDerWaalsContact O-CG 3.26Å; R478-M482 WeakPolarHBondContact O-CG 3.43Å; R478-M482 PolarHBondContact O-N 3.13Å
479	I	97.7	Very high	91.3	Very high	1 Å²	1	50 Å²	50	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-42.4	178.5	-66.3	158.9	0	0	0	111.3	C290 A293 E294 L394 V475 G476 E477 Q481 M482 Q483	C290-I479 HydrophobicContact CB-CG2 3.98Å; C290-I479 WeakPolarHBondContact O-CG2 3.44Å; A293-I479 HydrophobicContact CB-CD1 3.56Å; A293-I479 HydrophobicContact CB-CG1 4.4Å; A293-I479 HydrophobicContact CB-CG2 4.4Å; E294-I479 HydrophobicContact CB-CG2 3.94Å; L394-I479 HydrophobicContact CD2-CD1 4.47Å; V475-I479 HydrophobicContact CG1-CD1 3.63Å; V475-I479 HydrophobicContact CG1-CG1 4.43Å; V475-I479 WeakPolarHBondContact O-CD1 3.47Å; V475-I479 VanDerWaalsContact O-CG1 3.29Å; V475-I479 WeakPolarHBondContact O-CG1 3.23Å; V475-I479 PolarHBondContact O-N 2.72Å; G476-I479 PolarHBondContact O-N 3.39Å; E477-I479 PolarHBondContact O-N 2.82Å; I479-Q481 VanDerWaalsContact C-N 3.28Å; I479-Q481 PolarHBondContact O-N 2.94Å; I479-M482 PolarHBondContact O-N 3.42Å; I479-Q483 PolarHBondContact O-N 3.22Å
480	T	95.2	Very high	89.4	Confident	30 Å²	30	53.1 Å²	53.1	18%	0.184	28%	0.276	C	S	.	.	H	α-helix	trans	-59.5	-40.5	176.4	-56	0	0	0	0	111.4	E294 G476 E477 R478 R484	E294-T480 PolarHBondContact OE1-OG1 3.37Å; G476-T480 PolarHBondContact O-N 3.29Å; G476-T480 PolarHBondContact O-OG1 2.72Å; E477-T480 WeakPolarHBondContact O-CB 3.46Å; E477-T480 PolarHBondContact O-N 3.29Å; R478-T480 VanDerWaalsContact C-N 3.33Å; R478-T480 PolarHBondContact O-N 2.75Å; T480-R484 WeakPolarHBondContact O-CG 3.47Å; T480-R484 PolarHBondContact O-N 3.18Å
481	Q	93.6	Very high	87.4	Confident	103 Å²	103	56 Å²	56	48%	0.481	30%	0.295	S	S	.	.	H	α-helix	trans	-67.8	-44.6	176.2	-68.4	172.7	21.4	0	0	111.8	E477 R478 I479 Q483 R484 L485	E477-Q481 WeakPolarHBondContact O-CG 3.35Å; E477-Q481 PolarHBondContact O-N 3.06Å; R478-Q481 WeakPolarHBondContact O-CB 3.35Å; R478-Q481 PolarHBondContact O-N 3.37Å; R478-Q481 VanDerWaalsContact O-N 3.16Å; I479-Q481 VanDerWaalsContact C-N 3.28Å; I479-Q481 PolarHBondContact O-N 2.94Å; Q481-Q483 VanDerWaalsContact C-N 3.3Å; Q481-Q483 PolarHBondContact O-N 3.16Å; Q481-R484 PolarHBondContact O-N 3.24Å; Q481-R484 VanDerWaalsContact O-N 3.16Å; Q481-L485 WeakPolarHBondContact O-CG 3.45Å; Q481-L485 PolarHBondContact O-N 3.39Å
482	M	93.5	Very high	85.2	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-57.1	-44.2	177.1	-65.4	165.5	-159.8	0	0	111.6	W286 M453 L454 T457 R478 I479 R484 L485 T486	W286-M482 HydrophobicContact CH2-CB 4.44Å; W286-M482 HydrophobicContact CZ2-CB 3.99Å; M453-M482 HydrophobicContact CB-CE 3.77Å; M453-M482 HydrophobicContact CB-CG 3.75Å; M453-M482 HydrophobicContact CB-SD 3.98Å; M453-M482 HydrophobicContact CE-CG 3.79Å; M453-M482 HydrophobicContact CG-CG 4.47Å; M453-M482 WeakPolarHBondContact O-CE 3.47Å; M453-M482 HydrophobicContact SD-CG 3.92Å; L454-M482 HydrophobicContact CB-SD 4.26Å; T457-M482 WeakPolarHBondContact OG1-CE 3.4Å; R478-M482 HydrophobicContact CB-CE 3.81Å; R478-M482 VanDerWaalsContact O-CG 3.26Å; R478-M482 WeakPolarHBondContact O-CG 3.43Å; R478-M482 PolarHBondContact O-N 3.13Å; I479-M482 PolarHBondContact O-N 3.42Å; M482-R484 VanDerWaalsContact C-N 3.34Å; M482-R484 PolarHBondContact O-N 3.2Å; M482-L485 PolarHBondContact O-N 2.85Å; M482-T486 WeakPolarHBondContact O-CB 3.32Å; M482-T486 WeakPolarHBondContact O-CG2 3.39Å; M482-T486 PolarHBondContact O-N 3.41Å; M482-T486 PolarHBondContact O-OG1 3.14Å
483	Q	90.2	Very high	82.9	Confident	45 Å²	45	63.4 Å²	63.4	21%	0.21	33%	0.326	C	S	.	.	H	α-helix	trans	-63.3	-39.5	178.8	-168	-179.1	28.1	0	0	111.9	C290 I479 Q481 T486 N487	C290-Q483 HydrophobicContact CB-CB 4.06Å; C290-Q483 HydrophobicContact CB-CG 4.06Å; I479-Q483 PolarHBondContact O-N 3.22Å; Q481-Q483 VanDerWaalsContact C-N 3.3Å; Q481-Q483 PolarHBondContact O-N 3.16Å; Q483-T486 PolarHBondContact O-OG1 2.78Å; Q483-N487 WeakPolarHBondContact O-CB 3.3Å; Q483-N487 VanDerWaalsContact O-CG 3.25Å; Q483-N487 PolarHBondContact O-N 2.87Å; Q483-N487 PolarHBondContact O-ND2 3.15Å
484	R	88.1	Confident	80.8	Confident	171 Å²	171	67.1 Å²	67.1	65%	0.645	34%	0.338	S	S	*	.	H	α-helix	trans	-66.8	-46.3	176.8	-71	175.5	-175.4	-179.1	3.4	111.9	T480 Q481 M482 N487 I488	T480-R484 WeakPolarHBondContact O-CG 3.47Å; T480-R484 PolarHBondContact O-N 3.18Å; Q481-R484 PolarHBondContact O-N 3.24Å; Q481-R484 VanDerWaalsContact O-N 3.16Å; M482-R484 VanDerWaalsContact C-N 3.34Å; M482-R484 PolarHBondContact O-N 3.2Å; R484-N487 PolarHBondContact O-N 2.87Å; R484-I488 WeakPolarHBondContact O-CD1 3.49Å; R484-I488 VanDerWaalsContact O-CG1 3.29Å; R484-I488 WeakPolarHBondContact O-CG1 3.45Å; R484-I488 PolarHBondContact O-N 3.17Å
485	L	85.6	Confident	78.6	Confident	89 Å²	89	68.6 Å²	68.6	47%	0.466	35%	0.345	S	S	.	.	H	α-helix	trans	-63.9	-43.8	-177.7	-69.4	170.8	0	0	0	112.1	M453 Q481 M482 I488 I489	M453-L485 HydrophobicContact CE-CD1 4.2Å; M453-L485 HydrophobicContact SD-CD1 4.17Å; Q481-L485 WeakPolarHBondContact O-CG 3.45Å; Q481-L485 PolarHBondContact O-N 3.39Å; M482-L485 PolarHBondContact O-N 2.85Å; L485-I488 PolarHBondContact O-N 3.1Å; L485-I489 WeakPolarHBondContact O-CG1 3.17Å; L485-I489 PolarHBondContact O-N 3.23Å; L485-I489 VanDerWaalsContact O-N 3.14Å
486	T	81.4	Confident	76.4	Confident	7 Å²	7	71.7 Å²	71.7	4%	0.043	36%	0.364	C	S	.	.	H	α-helix	trans	-70.6	-33.8	179.8	47.1	0	0	0	0	113.6	W286 M482 Q483 I488 I489 T490	W286-T486 HydrophobicContact CZ2-CG2 4.1Å; W286-T486 PolarHBondContact NE1-OG1 3.32Å; M482-T486 WeakPolarHBondContact O-CB 3.32Å; M482-T486 WeakPolarHBondContact O-CG2 3.39Å; M482-T486 PolarHBondContact O-N 3.41Å; M482-T486 PolarHBondContact O-OG1 3.14Å; Q483-T486 PolarHBondContact O-OG1 2.78Å; T486-I488 VanDerWaalsContact C-N 3.29Å; T486-I488 PolarHBondContact O-N 2.93Å; T486-I489 PolarHBondContact O-N 3.4Å; T486-T490 WeakPolarHBondContact O-CG2 3.37Å; T486-T490 PolarHBondContact O-N 3.33Å; T486-T490 PolarHBondContact O-OG1 3.25Å; T486-T490 VanDerWaalsContact O-OG1 3.06Å
487	N	77.2	Confident	74.1	Confident	60 Å²	60	75.6 Å²	75.6	32%	0.321	39%	0.385	S	S	.	.	H	α-helix	trans	-68.3	-28.7	172.9	-75.7	-29.7	0	0	0	112.4	N287 Q483 R484 T490 T491	N287-N487 PolarHBondContact OD1-OD1 3.48Å; Q483-N487 WeakPolarHBondContact O-CB 3.3Å; Q483-N487 VanDerWaalsContact O-CG 3.25Å; Q483-N487 PolarHBondContact O-N 2.87Å; Q483-N487 PolarHBondContact O-ND2 3.15Å; R484-N487 PolarHBondContact O-N 2.87Å; N487-T490 WeakPolarHBondContact CA-OG1 3.23Å; N487-T490 PolarHBondContact O-OG1 2.73Å; N487-T491 PolarHBondContact O-N 2.94Å; N487-T491 PolarHBondContact O-OG1 2.8Å
488	I	69.9	Low	71.7	Confident	93 Å²	93	73.4 Å²	73.4	48%	0.477	38%	0.381	S	S	.	.	H	α-helix	trans	-71.6	-47.4	174.2	-66	162.6	0	0	0	110.3	R484 L485 T486 T490 T491 E492	R484-I488 WeakPolarHBondContact O-CD1 3.49Å; R484-I488 VanDerWaalsContact O-CG1 3.29Å; R484-I488 WeakPolarHBondContact O-CG1 3.45Å; R484-I488 PolarHBondContact O-N 3.17Å; L485-I488 PolarHBondContact O-N 3.1Å; T486-I488 VanDerWaalsContact C-N 3.29Å; T486-I488 PolarHBondContact O-N 2.93Å; I488-T490 PolarHBondContact O-N 3.48Å; I488-T491 WeakPolarHBondContact O-CB 3.38Å; I488-T491 PolarHBondContact O-N 3.3Å; I488-E492 PolarHBondContact O-N 3Å
489	I	61.3	Low	69.5	Low	77 Å²	77	73 Å²	73	40%	0.395	39%	0.386	S	S	.	.	H	α-helix	trans	-60.1	-45.5	-180	-64.2	164.9	0	0	0	111	A449 L485 T486 T491 E492 D493	A449-I489 HydrophobicContact CB-CD1 4.45Å; L485-I489 WeakPolarHBondContact O-CG1 3.17Å; L485-I489 PolarHBondContact O-N 3.23Å; L485-I489 VanDerWaalsContact O-N 3.14Å; T486-I489 PolarHBondContact O-N 3.4Å; I489-T491 PolarHBondContact O-N 2.99Å; I489-E492 PolarHBondContact O-N 3.46Å; I489-D493 PolarHBondContact O-N 3.41Å
490	T	59	Low	67.3	Low	72 Å²	72	80 Å²	80	44%	0.442	42%	0.42	S	S	.	.	H	α-helix	trans	-63.4	-29.3	177.2	52	0	0	0	0	112.7	T486 N487 I488 I494	T486-T490 WeakPolarHBondContact O-CG2 3.37Å; T486-T490 PolarHBondContact O-N 3.33Å; T486-T490 PolarHBondContact O-OG1 3.25Å; T486-T490 VanDerWaalsContact O-OG1 3.06Å; N487-T490 WeakPolarHBondContact CA-OG1 3.23Å; N487-T490 PolarHBondContact O-OG1 2.73Å; I488-T490 PolarHBondContact O-N 3.48Å; T490-I494 WeakPolarHBondContact O-CD1 3.4Å; T490-I494 VanDerWaalsContact O-CG1 3.25Å; T490-I494 WeakPolarHBondContact O-CG1 3.31Å; T490-I494 PolarHBondContact O-N 3.46Å
491	T	56.6	Low	65.2	Low	80 Å²	80	83.4 Å²	83.4	49%	0.491	44%	0.441	S	S	.	.	H	α-helix	trans	-76.6	-40.8	175.5	-49.6	0	0	0	0	111.5	N487 I488 I489 I494 V495	N487-T491 PolarHBondContact O-N 2.94Å; N487-T491 PolarHBondContact O-OG1 2.8Å; I488-T491 WeakPolarHBondContact O-CB 3.38Å; I488-T491 PolarHBondContact O-N 3.3Å; I489-T491 PolarHBondContact O-N 2.99Å; T491-I494 PolarHBondContact O-N 3.43Å; T491-V495 WeakPolarHBondContact O-CG2 3.44Å; T491-V495 PolarHBondContact O-N 2.92Å
492	E	51.9	Low	63.3	Low	122 Å²	122	82.8 Å²	82.8	57%	0.57	45%	0.445	S	S	*	.	H	α-helix	trans	-65.5	-38.3	174	-73.9	-172.1	171.8	0	0	111.7	I488 I489 I494 V495 T496	I488-E492 PolarHBondContact O-N 3Å; I489-E492 PolarHBondContact O-N 3.46Å; E492-I494 VanDerWaalsContact C-N 3.31Å; E492-I494 PolarHBondContact O-N 3.09Å; E492-V495 CarbonylContact O-C 3.57Å; E492-V495 PolarHBondContact O-N 3.27Å; E492-V495 VanDerWaalsContact O-N 3.16Å; E492-T496 WeakPolarHBondContact O-CB 3.22Å; E492-T496 PolarHBondContact O-N 2.85Å; E492-T496 PolarHBondContact O-OG1 3.47Å
493	D	51.5	Low	60.9	Low	91 Å²	91	88.8 Å²	88.8	49%	0.487	48%	0.477	S	S	.	.	H	α-helix	trans	-62.3	-38.9	173.4	-75.1	-28.8	0	0	0	111.3	I489 T496 V497	I489-D493 PolarHBondContact O-N 3.41Å; D493-T496 PolarHBondContact O-N 3.1Å; D493-V497 WeakPolarHBondContact O-CB 3.2Å; D493-V497 WeakPolarHBondContact O-CG2 3.37Å; D493-V497 PolarHBondContact O-N 2.87Å
494	I	53	Low	58.8	Low	106 Å²	106	91.1 Å²	91.1	54%	0.544	49%	0.494	S	S	.	.	H	α-helix	trans	-64.3	-44.7	172.3	-68.5	163.8	0	0	0	111	T490 T491 E492 T496 V497 V498	T490-I494 WeakPolarHBondContact O-CD1 3.4Å; T490-I494 VanDerWaalsContact O-CG1 3.25Å; T490-I494 WeakPolarHBondContact O-CG1 3.31Å; T490-I494 PolarHBondContact O-N 3.46Å; T491-I494 PolarHBondContact O-N 3.43Å; E492-I494 VanDerWaalsContact C-N 3.31Å; E492-I494 PolarHBondContact O-N 3.09Å; I494-T496 VanDerWaalsContact C-N 3.29Å; I494-T496 PolarHBondContact O-N 2.67Å; I494-V497 PolarHBondContact O-N 3.47Å; I494-V498 HydrophobicContact CG2-CG2 4.25Å; I494-V498 WeakPolarHBondContact O-CB 3.27Å; I494-V498 WeakPolarHBondContact O-CG2 3.33Å; I494-V498 PolarHBondContact O-N 2.83Å
495	V	52.9	Low	56.7	Low	84 Å²	84	90.2 Å²	90.2	51%	0.509	50%	0.502	S	S	.	.	H	α-helix	trans	-65.2	-35.7	177.4	175.4	0	0	0	0	111	T491 E492 V498 T499	T491-V495 WeakPolarHBondContact O-CG2 3.44Å; T491-V495 PolarHBondContact O-N 2.92Å; E492-V495 CarbonylContact O-C 3.57Å; E492-V495 PolarHBondContact O-N 3.27Å; E492-V495 VanDerWaalsContact O-N 3.16Å; V495-V498 PolarHBondContact O-N 3.12Å; V495-T499 HydrophobicContact CG1-CG2 4.38Å; V495-T499 WeakPolarHBondContact O-CB 3.22Å; V495-T499 WeakPolarHBondContact O-CG2 3.32Å; V495-T499 PolarHBondContact O-N 3.28Å; V495-T499 PolarHBondContact O-OG1 3.29Å
496	T	52.2	Low	54.7	Low	64 Å²	64	94.9 Å²	94.9	39%	0.393	52%	0.519	S	S	.	.	H	α-helix	trans	-70.7	-42.5	178	-45.8	0	0	0	0	110.5	E492 D493 I494 T499 M500	E492-T496 WeakPolarHBondContact O-CB 3.22Å; E492-T496 PolarHBondContact O-N 2.85Å; E492-T496 PolarHBondContact O-OG1 3.47Å; D493-T496 PolarHBondContact O-N 3.1Å; I494-T496 VanDerWaalsContact C-N 3.29Å; I494-T496 PolarHBondContact O-N 2.67Å; T496-T499 VanDerWaalsContact CA-OG1 3.28Å; T496-T499 WeakPolarHBondContact CA-OG1 3.49Å; T496-T499 PolarHBondContact O-N 3.3Å; T496-T499 PolarHBondContact O-OG1 3.27Å; T496-T499 VanDerWaalsContact O-OG1 3.06Å; T496-M500 HydrophobicContact CG2-CE 4.27Å; T496-M500 WeakPolarHBondContact O-CB 3.31Å; T496-M500 VanDerWaalsContact O-CG 3.28Å; T496-M500 WeakPolarHBondContact O-CG 3.17Å; T496-M500 PolarHBondContact O-N 2.87Å
497	V	51	Low	53	Low	93 Å²	93	99.6 Å²	99.6	56%	0.564	55%	0.55	S	S	*	.	H	α-helix	trans	-63.7	-44.7	172.5	172.3	0	0	0	0	110.6	D493 I494 T499 M500 V501	D493-V497 WeakPolarHBondContact O-CB 3.2Å; D493-V497 WeakPolarHBondContact O-CG2 3.37Å; D493-V497 PolarHBondContact O-N 2.87Å; I494-V497 PolarHBondContact O-N 3.47Å; V497-T499 PolarHBondContact O-N 3.1Å; V497-M500 PolarHBondContact O-N 3.43Å; V497-V501 VanDerWaalsContact O-CG2 3.22Å; V497-V501 WeakPolarHBondContact O-CG2 3.17Å; V497-V501 PolarHBondContact O-N 2.84Å
498	V	46	Very low	51.4	Low	82 Å²	82	102.4 Å²	102.4	50%	0.497	57%	0.571	S	S	.	*	H	α-helix	trans	-63.6	-42.9	177	172.3	0	0	0	0	111.2	I494 V495 V501 T502	I494-V498 HydrophobicContact CG2-CG2 4.25Å; I494-V498 WeakPolarHBondContact O-CB 3.27Å; I494-V498 WeakPolarHBondContact O-CG2 3.33Å; I494-V498 PolarHBondContact O-N 2.83Å; V495-V498 PolarHBondContact O-N 3.12Å; V498-V501 PolarHBondContact O-N 3.5Å; V498-T502 WeakPolarHBondContact O-CG2 3.45Å; V498-T502 PolarHBondContact O-N 2.97Å; V498-T502 PolarHBondContact O-OG1 3Å
499	T	52.7	Low	50	Low	63 Å²	63	107.3 Å²	107.3	39%	0.387	59%	0.589	S	S	.	*	H	α-helix	trans	-68.6	-34.2	177.6	45.4	0	0	0	0	112.7	V495 T496 V497 V501 T502 N503	V495-T499 HydrophobicContact CG1-CG2 4.38Å; V495-T499 WeakPolarHBondContact O-CB 3.22Å; V495-T499 WeakPolarHBondContact O-CG2 3.32Å; V495-T499 PolarHBondContact O-N 3.28Å; V495-T499 PolarHBondContact O-OG1 3.29Å; T496-T499 VanDerWaalsContact CA-OG1 3.28Å; T496-T499 WeakPolarHBondContact CA-OG1 3.49Å; T496-T499 PolarHBondContact O-N 3.3Å; T496-T499 PolarHBondContact O-OG1 3.27Å; T496-T499 VanDerWaalsContact O-OG1 3.06Å; V497-T499 PolarHBondContact O-N 3.1Å; T499-V501 VanDerWaalsContact C-N 3.34Å; T499-T502 WeakPolarHBondContact CA-OG1 3.44Å; T499-T502 PolarHBondContact O-N 3.19Å; T499-T502 PolarHBondContact O-OG1 3.41Å; T499-T502 VanDerWaalsContact O-OG1 3.13Å; T499-N503 WeakPolarHBondContact O-CB 3.13Å; T499-N503 PolarHBondContact O-N 2.99Å
500	M	49.7	Very low	49.3	Very low	146 Å²	146	112.9 Å²	112.9	72%	0.719	61%	0.613	S	S	*	*	H	α-helix	trans	-66.3	-34.4	170.7	-74.7	-160.7	-175.6	0	0	112.5	T496 V497	T496-M500 HydrophobicContact CG2-CE 4.27Å; T496-M500 WeakPolarHBondContact O-CB 3.31Å; T496-M500 VanDerWaalsContact O-CG 3.28Å; T496-M500 WeakPolarHBondContact O-CG 3.17Å; T496-M500 PolarHBondContact O-N 2.87Å; V497-M500 PolarHBondContact O-N 3.43Å
501	V	51.9	Low	48.7	Very low	103 Å²	103	114.8 Å²	114.8	62%	0.624	63%	0.629	S	S	*	*	H	α-helix	trans	-74.9	-27.5	175	178.6	0	0	0	0	111.9	V497 V498 T499 V504	V497-V501 VanDerWaalsContact O-CG2 3.22Å; V497-V501 WeakPolarHBondContact O-CG2 3.17Å; V497-V501 PolarHBondContact O-N 2.84Å; V498-V501 PolarHBondContact O-N 3.5Å; T499-V501 VanDerWaalsContact C-N 3.34Å; V501-V504 WeakPolarHBondContact O-CG2 3.35Å
502	T	54.3	Low	47.8	Very low	90 Å²	90	116.6 Å²	116.6	55%	0.552	65%	0.645	S	S	*	*	H	α-helix	trans	-87.7	-24.2	178.2	56.9	0	0	0	0	114.6	V498 T499 V504	V498-T502 WeakPolarHBondContact O-CG2 3.45Å; V498-T502 PolarHBondContact O-N 2.97Å; V498-T502 PolarHBondContact O-OG1 3Å; T499-T502 WeakPolarHBondContact CA-OG1 3.44Å; T499-T502 PolarHBondContact O-N 3.19Å; T499-T502 PolarHBondContact O-OG1 3.41Å; T499-T502 VanDerWaalsContact O-OG1 3.13Å; T502-V504 PolarHBondContact O-N 2.65Å
503	N	43.5	Very low	47.5	Very low	127 Å²	127	122.7 Å²	122.7	68%	0.679	68%	0.68	S	S	*	*			trans	-79.8	44.1	174.4	-79.2	-6.6	0	0	0	112.2	T499 D505	T499-N503 WeakPolarHBondContact O-CB 3.13Å; T499-N503 PolarHBondContact O-N 2.99Å; N503-D505 PolarHBondContact O-N 3.1Å
504	V	45.6	Very low	47.4	Very low	93 Å²	93	124.3 Å²	124.3	56%	0.564	69%	0.69	S	S	*	*			trans	-73.8	101.9	159.5	-178.4	0	0	0	0	105.8	V501 T502 F506	V501-V504 WeakPolarHBondContact O-CG2 3.35Å; T502-V504 PolarHBondContact O-N 2.65Å; V504-F506 PolarHBondContact O-N 2.64Å
505	D	44.3	Very low	47.1	Very low	153 Å²	153	125.2 Å²	125.2	82%	0.818	70%	0.698	S	S	*	*			trans	-52.3	103.3	167.7	-76.1	-44.3	0	0	0	108.1	N503 P507	N503-D505 PolarHBondContact O-N 3.1Å; D505-P507 VanDerWaalsContact O-CD 3.24Å; D505-P507 WeakPolarHBondContact O-CD 3.2Å; D505-P507 VanDerWaalsContact O-N 3.15Å
506	F	42.2	Very low	46.7	Very low	186 Å²	186	127.5 Å²	127.5	82%	0.816	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-61.4	118	175.5	-82.2	-89.5	0	0	0	107.7	V504	V504-F506 PolarHBondContact O-N 2.64Å
507	P	46.3	Very low	46.4	Very low	107 Å²	107	131.2 Å²	131.2	70%	0.695	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-62.3	141.7	175.3	23.8	-30.2	0	0	0	109.1	D505 K509	D505-P507 VanDerWaalsContact O-CD 3.24Å; D505-P507 WeakPolarHBondContact O-CD 3.2Å; D505-P507 VanDerWaalsContact O-N 3.15Å; P507-K509 PolarHBondContact O-N 3.38Å
508	P	43.5	Very low	46.1	Very low	118 Å²	118	133.6 Å²	133.6	77%	0.766	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-59.8	130.2	-175.7	23.6	-31.5	0	0	0	109.5	E510	P508-E510 PolarHBondContact O-N 3.3Å
509	K	41.4	Very low	46.1	Very low	196 Å²	196	137.1 Å²	137.1	85%	0.852	75%	0.753	S	S	*	*			trans	-57.8	102.3	176.2	-79.3	-179	175.4	177.5	0	109.3	P507 S511	P507-K509 PolarHBondContact O-N 3.38Å; K509-S511 PolarHBondContact O-N 3.09Å
510	E	45.7	Very low	45.7	Very low	195 Å²	195	142.4 Å²	142.4	91%	0.911	78%	0.779	S	S	*	*			trans	-64	130.4	166.4	-76.1	-165.8	159.9	0	0	109.2	P508	P508-E510 PolarHBondContact O-N 3.3Å
511	S	46.7	Very low	45.4	Very low	111 Å²	111	142.1 Å²	142.1	78%	0.776	78%	0.784	S	S	*	*			trans	-85.3	145.3	-172.6	-52.9	0	0	0	0	109	K509	K509-S511 PolarHBondContact O-N 3.09Å
512	S	38	Very low	44.8	Very low	118 Å²	118	145.3 Å²	145.3	83%	0.825	80%	0.797	S	S	*	*			trans	-38.3	133.2	176.9	-34.8	0	0	0	0	114.5
513	L	46.1	Very low	43.9	Very low	250 Å²	250	150.4 Å²	150.4	100%	1.309	82%	0.819	S	S	*	*			trans	-144.9	0	138.9	-91.8	172.7	0	0	0	109.4

Retrieved 513 of 513 residues in 644.6 ms (Link to these results)

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