A0A087WNR2_MOUSE Loading...

Tripartite motif-containing 43B

AlphaFold DB , UniProt , Accession A0A087WNR2, Species MOUSE (Mus musculus, Mouse), Gene Trim43b, Length 444 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.2	Very low	43.6	Very low	245 Å²	245	127.6 Å²	127.6	100%	1.207	67%	0.672	S	S	*	*				0	88.2	0	-78.3	176.1	171.9	0	0	105.8	S3	M1-S3 PolarHBondContact O-N 2.84Å
2	E	30.5	Very low	45.1	Very low	185 Å²	185	127.5 Å²	127.5	86%	0.864	67%	0.665	S	S	*	*			trans	-66.4	117.3	173.8	-73.1	160.7	147.3	0	0	106.9	D4	E2-D4 VanDerWaalsContact C-N 3.31Å; E2-D4 PolarHBondContact O-N 3.16Å
3	S	30.7	Very low	47.3	Very low	117 Å²	117	125.2 Å²	125.2	82%	0.818	66%	0.66	S	S	*	*			trans	-73.3	94.7	167.9	56.7	0	0	0	0	106.8	M1 N5	M1-S3 PolarHBondContact O-N 2.84Å; S3-N5 PolarHBondContact O-N 3.42Å
4	D	35.7	Very low	50	Low	140 Å²	140	116.6 Å²	116.6	75%	0.749	62%	0.615	S	S	*	*			trans	-51.6	112.2	170.4	-93.5	-31	0	0	0	109.2	E2 L6	E2-D4 VanDerWaalsContact C-N 3.31Å; E2-D4 PolarHBondContact O-N 3.16Å; D4-L6 HydrophobicContact CB-CG 4.46Å; D4-L6 PolarHBondContact O-N 3.33Å
5	N	40.4	Very low	52.6	Low	148 Å²	148	112.2 Å²	112.2	79%	0.791	60%	0.595	S	S	*	*			trans	-75.8	73.3	174.6	-147.1	-3.4	0	0	0	106.9	S3 Q7	S3-N5 PolarHBondContact O-N 3.42Å; N5-Q7 PolarHBondContact O-N 3.44Å
6	L	39.8	Very low	54.8	Low	158 Å²	158	105.2 Å²	105.2	83%	0.827	56%	0.558	S	S	*	*			trans	-69.3	85.2	174.5	-82.7	155.3	0	0	0	108.3	D4 D8	D4-L6 HydrophobicContact CB-CG 4.46Å; D4-L6 PolarHBondContact O-N 3.33Å; L6-D8 PolarHBondContact O-N 3.23Å
7	Q	48.3	Very low	56.7	Low	99 Å²	99	102.4 Å²	102.4	46%	0.463	55%	0.548	S	S	.	.			trans	-60	127.6	165.9	-90.5	167.9	-57.2	0	0	109	N5	N5-Q7 PolarHBondContact O-N 3.44Å
8	D	54	Low	58.4	Low	53 Å²	53	100.2 Å²	100.2	28%	0.283	54%	0.536	S	S	.	.			trans	-57.7	127.5	176.1	-174.7	-21.1	0	0	0	109	L6 Q10 E11 K80	L6-D8 PolarHBondContact O-N 3.23Å; D8-Q10 PolarHBondContact O-N 2.96Å; D8-Q10 PolarHBondContact OD1-N 3.24Å; D8-E11 HydrophobicContact CB-CG 4.08Å; D8-E11 WeakPolarHBondContact O-CB 3.36Å; D8-E11 PolarHBondContact O-N 3Å; D8-K80 IonicContact OD2-NZ 3.27Å; D8-K80 PolarHBondContact OD2-NZ 3.39Å
9	P	51.1	Low	59.9	Low	101 Å²	101	97.5 Å²	97.5	66%	0.656	53%	0.525	S	S	*	.	H	α-helix	trans	-54	-22.4	-178.4	-26.6	32.8	0	0	0	114.4
10	Q	56.8	Low	61.3	Low	142 Å²	142	100.9 Å²	100.9	66%	0.664	54%	0.537	S	S	*	.	H	α-helix	trans	-72.1	-30	173.1	-69	-169.5	-13.2	0	0	113.1	D8 T13	D8-Q10 PolarHBondContact O-N 2.96Å; D8-Q10 PolarHBondContact OD1-N 3.24Å; Q10-T13 PolarHBondContact O-OG1 3.31Å
11	E	61.5	Low	62.4	Low	16 Å²	16	97 Å²	97	8%	0.075	52%	0.522	C	S	.	.	H	α-helix	trans	-75.3	-31.8	-177.5	-68.4	-171.6	-177.3	0	0	113.1	D8 T13 L14 V77 R81	D8-E11 HydrophobicContact CB-CG 4.08Å; D8-E11 WeakPolarHBondContact O-CB 3.36Å; D8-E11 PolarHBondContact O-N 3Å; E11-T13 PolarHBondContact O-N 2.93Å; E11-L14 PolarHBondContact O-N 3.2Å; E11-V77 HydrophobicContact CG-CG1 3.76Å; E11-V77 HydrophobicContact CG-CG2 4.16Å; E11-V77 WeakPolarHBondContact OE1-CG1 3.4Å; E11-R81 IonicContact OE1-NE 2.65Å; E11-R81 IonicContact OE2-CZ 3.58Å; E11-R81 IonicContact OE2-NE 3.93Å; E11-R81 PolarHBondContact OE2-NE 3.46Å; E11-R81 IonicContact OE2-NH2 3.09Å; E11-R81 PolarHBondContact OE2-NH2 3.03Å
12	E	60.8	Low	65.1	Low	126 Å²	126	86 Å²	86	59%	0.589	47%	0.467	S	S	*	.	H	α-helix	trans	-58.4	-37.1	177.2	-71	-173.6	165.4	0	0	111.7	L14 T15	E12-L14 PolarHBondContact O-N 2.69Å; E12-T15 PolarHBondContact O-N 3.15Å; E12-T15 PolarHBondContact O-OG1 3.28Å
13	T	74.1	Confident	67.7	Low	97 Å²	97	77.4 Å²	77.4	60%	0.595	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-8.3	179	71.3	0	0	0	0	114.3	Q10 E11	Q10-T13 PolarHBondContact O-OG1 3.31Å; E11-T13 PolarHBondContact O-N 2.93Å
14	L	85.8	Confident	70.1	Confident	5 Å²	5	72.7 Å²	72.7	3%	0.026	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	14.8	-176.3	-61	176.2	0	0	0	113.2	E11 E12 I22 F23 L70 Q73 V77	E11-L14 PolarHBondContact O-N 3.2Å; E12-L14 PolarHBondContact O-N 2.69Å; L14-I22 WeakPolarHBondContact O-CA 3.46Å; L14-F23 VanDerWaalsContact C-CE2 3.48Å; L14-F23 WeakPolarHBondContact O-CD2 3.4Å; L14-F23 PolarHBondContact O-N 3.24Å; L14-L70 HydrophobicContact CD2-CD1 3.27Å; L14-Q73 HydrophobicContact CD1-CB 4.16Å; L14-Q73 HydrophobicContact CD2-CB 4.02Å; L14-V77 HydrophobicContact CD1-CB 4.49Å; L14-V77 HydrophobicContact CD1-CG2 3.6Å
15	T	88	Confident	72	Confident	51 Å²	51	67.5 Å²	67.5	31%	0.313	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-101.4	143.8	-180	61.2	0	0	0	0	112.3	E12 G21 F23	E12-T15 PolarHBondContact O-N 3.15Å; E12-T15 PolarHBondContact O-OG1 3.28Å; T15-G21 CarbonylContact C-O 3.56Å; T15-G21 WeakPolarHBondContact CA-O 3.29Å; T15-F23 WeakPolarHBondContact O-CE1 3.45Å; T15-F23 WeakPolarHBondContact O-CE2 3.23Å; T15-F23 WeakPolarHBondContact O-CZ 3.35Å
16	C	88.4	Confident	74.2	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.327	C	S	.	.			trans	-84.3	128.8	173.8	178.8	0	0	0	0	110.8	I18 Q20 G21 F23 C36	C16-I18 PolarHBondContact O-N 2.86Å; C16-I18 VanDerWaalsContact O-N 3.13Å; C16-I18 PolarHBondContact SG-N 3.03Å; C16-Q20 WeakPolarHBondContact O-CA 3.34Å; C16-Q20 PolarHBondContact O-N 3.05Å; C16-G21 PolarHBondContact N-O 3.5Å; C16-F23 VanDerWaalsContact CA-CE1 3.42Å; C16-F23 HydrophobicContact CB-CD1 3.72Å; C16-F23 HydrophobicContact CB-CE1 3.67Å; C16-C36 WeakPolarHBondContact CB-SG 3.42Å; C16-C36 PolarHBondContact SG-N 3.18Å; C16-C36 VanDerWaalsContact SG-N 3.36Å
17	S	87.2	Confident	76.3	Confident	57 Å²	57	53.1 Å²	53.1	40%	0.399	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-13.6	179.3	57.3	0	0	0	0	115.2	F35 M55	S17-F35 WeakPolarHBondContact OG-CE1 2.95Å; S17-M55 VanDerWaalsContact CB-SD 3.57Å; S17-M55 PolarHBondContact OG-SD 3.42Å; S17-M55 VanDerWaalsContact OG-SD 3.33Å
18	I	87.3	Confident	78.1	Confident	64 Å²	64	52.2 Å²	52.2	33%	0.328	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-57.2	177.4	-64.8	169.4	0	0	0	111	C16 F35 C39 L40 F43 P54	C16-I18 PolarHBondContact O-N 2.86Å; C16-I18 VanDerWaalsContact O-N 3.13Å; C16-I18 PolarHBondContact SG-N 3.03Å; I18-F35 HydrophobicContact CD1-CD1 3.58Å; I18-F35 HydrophobicContact CD1-CE1 4.06Å; I18-F35 HydrophobicContact CD1-CG 4.38Å; I18-F35 HydrophobicContact CG1-CD1 3.87Å; I18-F35 HydrophobicContact CG1-CE1 4.16Å; I18-C39 HydrophobicContact CB-CB 3.67Å; I18-C39 HydrophobicContact CD1-CB 3.56Å; I18-C39 HydrophobicContact CG1-CB 4.19Å; I18-C39 HydrophobicContact CG2-CB 3.73Å; I18-L40 HydrophobicContact CD1-CD2 4.26Å; I18-F43 HydrophobicContact CD1-CB 4.41Å; I18-P54 HydrophobicContact CD1-CB 4.41Å; I18-P54 HydrophobicContact CD1-CG 3.9Å
19	C	86.9	Confident	79.5	Confident	48 Å²	48	49.9 Å²	49.9	32%	0.324	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-5.9	-176.7	70.5	0	0	0	0	113.7	G21 C39	C19-G21 PolarHBondContact O-N 3.45Å; C19-C39 VanDerWaalsContact CB-SG 3.55Å
20	Q	86.9	Confident	81	Confident	166 Å²	166	52.1 Å²	52.1	78%	0.776	27%	0.268	S	S	*	.			trans	58.2	3.7	-176.7	-57.6	179.9	-12.4	0	0	115.2	C16	C16-Q20 WeakPolarHBondContact O-CA 3.34Å; C16-Q20 PolarHBondContact O-N 3.05Å
21	G	85.6	Confident	82.4	Confident	20 Å²	20	47.5 Å²	47.5	21%	0.206	25%	0.252	C	S	.	.	S	Bend	trans	-89.3	170.3	175.4	0	0	0	0	0	113.1	T15 C16 C19 F23	T15-G21 CarbonylContact C-O 3.56Å; T15-G21 WeakPolarHBondContact CA-O 3.29Å; C16-G21 PolarHBondContact N-O 3.5Å; C19-G21 PolarHBondContact O-N 3.45Å; G21-F23 PolarHBondContact O-N 3.44Å
22	I	86.9	Confident	83.5	Confident	13 Å²	13	48.3 Å²	48.3	7%	0.067	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-60	135.5	172	-63.2	172.2	0	0	0	108.7	L14 M24 V74 V77 R78 Q237	L14-I22 WeakPolarHBondContact O-CA 3.46Å; I22-M24 PolarHBondContact O-N 3.49Å; I22-V74 HydrophobicContact CG2-CB 4.21Å; I22-V74 HydrophobicContact CG2-CG1 3.68Å; I22-V74 HydrophobicContact CG2-CG2 3.92Å; I22-V77 HydrophobicContact CD1-CG1 3.79Å; I22-R78 HydrophobicContact CD1-CG 4.04Å; I22-R78 HydrophobicContact CG2-CG 4.46Å; I22-Q237 PolarHBondContact O-NE2 2.93Å; I22-Q237 PolarHBondContact O-OE1 2.91Å; I22-Q237 VanDerWaalsContact O-OE1 3.05Å
23	F	86.2	Confident	84.9	Confident	5 Å²	5	45.1 Å²	45.1	2%	0.022	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-47.5	130	-179.6	-72.9	-58.8	0	0	0	113.2	L14 T15 C16 G21 P26 K34 L70 V74	L14-F23 VanDerWaalsContact C-CE2 3.48Å; L14-F23 WeakPolarHBondContact O-CD2 3.4Å; L14-F23 PolarHBondContact O-N 3.24Å; T15-F23 WeakPolarHBondContact O-CE1 3.45Å; T15-F23 WeakPolarHBondContact O-CE2 3.23Å; T15-F23 WeakPolarHBondContact O-CZ 3.35Å; C16-F23 VanDerWaalsContact CA-CE1 3.42Å; C16-F23 HydrophobicContact CB-CD1 3.72Å; C16-F23 HydrophobicContact CB-CE1 3.67Å; G21-F23 PolarHBondContact O-N 3.44Å; F23-P26 HydrophobicContact CB-CB 3.8Å; F23-P26 HydrophobicContact CB-CG 4.11Å; F23-P26 HydrophobicContact CD1-CB 4.16Å; F23-P26 HydrophobicContact CD2-CB 4.4Å; F23-P26 HydrophobicContact CG-CB 3.88Å; F23-K34 HydrophobicContact CE1-CB 4.05Å; F23-K34 WeakPolarHBondContact CE1-O 3.31Å; F23-K34 HydrophobicContact CE2-CB 4.26Å; F23-K34 HydrophobicContact CZ-CB 3.59Å; F23-L70 HydrophobicContact CD2-CD1 4.31Å; F23-L70 HydrophobicContact CD2-CD2 4.19Å; F23-L70 HydrophobicContact CD2-CG 4.38Å; F23-L70 HydrophobicContact CE2-CD2 4.39Å; F23-V74 HydrophobicContact CB-CG2 3.86Å; F23-V74 VanDerWaalsContact O-CG1 3.3Å; F23-V74 WeakPolarHBondContact O-CG1 3.38Å
24	M	79.9	Confident	85.6	Confident	17 Å²	17	44 Å²	44	8%	0.084	24%	0.236	C	C	.	.	S	Bend	trans	-112.5	122	165.8	-78	-61	-76.7	0	0	109	I22 C36 R78 M137 L141 S236	I22-M24 PolarHBondContact O-N 3.49Å; M24-C36 PolarHBondContact N-SG 2.81Å; M24-C36 WeakPolarHBondContact O-CA 3.39Å; M24-C36 WeakPolarHBondContact O-CB 3.29Å; M24-R78 VanDerWaalsContact CG-NH2 3.28Å; M24-R78 PolarHBondContact SD-NH1 3.44Å; M24-R78 PolarHBondContact SD-NH2 3.41Å; M24-M137 HydrophobicContact CE-SD 3.79Å; M24-L141 HydrophobicContact CE-CD2 4.06Å; M24-S236 WeakPolarHBondContact CG-OG 3.31Å
25	N	76.8	Confident	85.7	Confident	31 Å²	31	43.8 Å²	43.8	17%	0.166	24%	0.235	C	C	.	.	S	Bend	trans	43.4	65.8	-170.8	-155.2	31.2	0	0	0	111.9	V27 E37 K71	N25-V27 PolarHBondContact O-N 3Å; N25-E37 HydrophobicContact CB-CB 4.47Å; N25-E37 PolarHBondContact ND2-OE2 2.95Å; N25-E37 WeakPolarHBondContact O-CB 3.46Å; N25-E37 PolarHBondContact O-N 3.39Å; N25-E37 VanDerWaalsContact O-N 3.11Å; N25-K71 WeakPolarHBondContact OD1-CE 3.36Å; N25-K71 PolarHBondContact OD1-NZ 3.48Å
26	P	85.8	Confident	85.6	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.013	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	139.2	-174	22.8	-31.5	0	0	0	111.9	F23 F35 L70 K71	F23-P26 HydrophobicContact CB-CB 3.8Å; F23-P26 HydrophobicContact CB-CG 4.11Å; F23-P26 HydrophobicContact CD1-CB 4.16Å; F23-P26 HydrophobicContact CD2-CB 4.4Å; F23-P26 HydrophobicContact CG-CB 3.88Å; P26-F35 CarbonylContact C-O 3.49Å; P26-F35 WeakPolarHBondContact CA-O 3.34Å; P26-L70 HydrophobicContact CB-CD2 3.4Å; P26-L70 HydrophobicContact CB-CG 4Å; P26-L70 HydrophobicContact CG-CB 4.1Å; P26-L70 HydrophobicContact CG-CD2 3.66Å; P26-L70 HydrophobicContact CG-CG 3.71Å; P26-K71 HydrophobicContact CG-CG 4.06Å
27	V	84.1	Confident	85.3	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.012	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	147.3	174.3	-67.8	0	0	0	0	110.3	N25 K34 F35 E37 L40 Y64	N25-V27 PolarHBondContact O-N 3Å; V27-K34 WeakPolarHBondContact O-CA 3.49Å; V27-F35 PolarHBondContact N-O 3.38Å; V27-F35 PolarHBondContact O-N 2.83Å; V27-F35 VanDerWaalsContact O-N 3.12Å; V27-E37 HydrophobicContact CG1-CB 3.77Å; V27-E37 HydrophobicContact CG1-CG 3.95Å; V27-E37 HydrophobicContact CG2-CB 4.27Å; V27-L40 HydrophobicContact CG2-CD1 3.58Å; V27-Y64 HydrophobicContact CB-CD1 4.03Å; V27-Y64 HydrophobicContact CB-CG 4.27Å; V27-Y64 HydrophobicContact CG1-CD1 4.38Å; V27-Y64 HydrophobicContact CG1-CG 4.18Å; V27-Y64 HydrophobicContact CG2-CD1 4.1Å
28	Y	85.2	Confident	85	Confident	81 Å²	81	39.9 Å²	39.9	32%	0.318	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133	178.9	-179.5	-93.9	0	0	0	111	G32 K34 I65	Y28-G32 VanDerWaalsContact CE2-C 3.43Å; Y28-G32 VanDerWaalsContact CE2-CA 3.43Å; Y28-G32 WeakPolarHBondContact CE2-O 3.45Å; Y28-G32 VanDerWaalsContact CZ-CA 3.47Å; Y28-G32 VanDerWaalsContact OH-CA 3.24Å; Y28-G32 WeakPolarHBondContact OH-CA 3.16Å; Y28-K34 HydrophobicContact CD2-CG 3.88Å; Y28-I65 PolarHBondContact N-O 3.24Å
29	L	84.5	Confident	84.9	Confident	3 Å²	3	36.9 Å²	36.9	2%	0.016	19%	0.192	C	C	.	.			trans	-93.5	149.5	170	-60	-172.1	0	0	0	110.4	C31 G32 H33 F35 L40 C53 F60 Y64	L29-C31 PolarHBondContact O-N 3.17Å; L29-G32 PolarHBondContact O-N 2.98Å; L29-H33 PolarHBondContact N-O 2.91Å; L29-F35 HydrophobicContact CD1-CD2 4.22Å; L29-F35 HydrophobicContact CD1-CE2 3.73Å; L29-F35 HydrophobicContact CG-CD2 4.32Å; L29-F35 HydrophobicContact CG-CE2 4.19Å; L29-L40 HydrophobicContact CD1-CD1 4.3Å; L29-L40 HydrophobicContact CD1-CD2 4.37Å; L29-L40 HydrophobicContact CD2-CD1 3.89Å; L29-L40 HydrophobicContact CG-CD1 4.15Å; L29-C53 HydrophobicContact CD1-CB 3.94Å; L29-F60 HydrophobicContact CD1-CD1 3.92Å; L29-F60 HydrophobicContact CD1-CD2 4.46Å; L29-F60 HydrophobicContact CD1-CE1 3.81Å; L29-F60 HydrophobicContact CD1-CE2 4.38Å; L29-F60 HydrophobicContact CD1-CG 4.22Å; L29-F60 HydrophobicContact CD1-CZ 4.03Å; L29-F60 HydrophobicContact CD2-CD1 4.48Å; L29-F60 HydrophobicContact CD2-CD2 3.55Å; L29-F60 HydrophobicContact CD2-CE1 4.42Å; L29-F60 HydrophobicContact CD2-CE2 3.52Å; L29-F60 HydrophobicContact CD2-CG 4.05Å; L29-F60 HydrophobicContact CD2-CZ 3.95Å; L29-Y64 HydrophobicContact CD2-CD1 4.19Å; L29-Y64 HydrophobicContact CD2-CE1 4.12Å
30	K	82.8	Confident	84.7	Confident	148 Å²	148	34.7 Å²	34.7	64%	0.643	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-24.9	178.4	-69.6	-177.4	-178.8	176.2	0	114	G32 E63	K30-G32 VanDerWaalsContact C-N 3.3Å; K30-G32 PolarHBondContact O-N 2.73Å; K30-E63 IonicContact NZ-OE2 3.85Å
31	C	86.3	Confident	84.2	Confident	46 Å²	46	28 Å²	28	31%	0.311	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	0.6	177.6	65.1	0	0	0	0	115.4	L29 H33 Q58	L29-C31 PolarHBondContact O-N 3.17Å; C31-H33 PolarHBondContact SG-ND1 2.93Å; C31-H33 VanDerWaalsContact SG-ND1 3.43Å; C31-Q58 HydrophobicContact CB-CB 4.24Å
32	G	84.9	Confident	83.9	Confident	32 Å²	32	28.6 Å²	28.6	33%	0.33	14%	0.144	S	C	.	.	S	Bend	trans	103.8	-22.8	-179.9	0	0	0	0	0	115.4	Y28 L29 K30	Y28-G32 VanDerWaalsContact CE2-C 3.43Å; Y28-G32 VanDerWaalsContact CE2-CA 3.43Å; Y28-G32 WeakPolarHBondContact CE2-O 3.45Å; Y28-G32 VanDerWaalsContact CZ-CA 3.47Å; Y28-G32 VanDerWaalsContact OH-CA 3.24Å; Y28-G32 WeakPolarHBondContact OH-CA 3.16Å; L29-G32 PolarHBondContact O-N 2.98Å; K30-G32 VanDerWaalsContact C-N 3.3Å; K30-G32 PolarHBondContact O-N 2.73Å
33	H	88.8	Confident	83.5	Confident	59 Å²	59	31 Å²	31	27%	0.273	15%	0.154	S	C	.	.			trans	-83.9	142.8	-170	-63.4	100.5	0	0	0	112.6	L29 C31 F35 M55	L29-H33 PolarHBondContact N-O 2.91Å; C31-H33 PolarHBondContact SG-ND1 2.93Å; C31-H33 VanDerWaalsContact SG-ND1 3.43Å; H33-F35 HydrophobicContact CB-CD2 4.41Å; H33-F35 HydrophobicContact CB-CE2 3.43Å; H33-F35 VanDerWaalsContact CB-CE2 3.43Å; H33-F35 HydrophobicContact CB-CZ 3.71Å; H33-M55 HydrophobicContact CB-CB 4.49Å; H33-M55 HydrophobicContact CB-CG 4.47Å
34	K	88.4	Confident	82.9	Confident	75 Å²	75	32.4 Å²	32.4	33%	0.326	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	138.8	-176.1	-62.4	175.3	-179.8	-166.2	0	110.2	F23 V27 Y28 D67 L70	F23-K34 HydrophobicContact CE1-CB 4.05Å; F23-K34 WeakPolarHBondContact CE1-O 3.31Å; F23-K34 HydrophobicContact CE2-CB 4.26Å; F23-K34 HydrophobicContact CZ-CB 3.59Å; V27-K34 WeakPolarHBondContact O-CA 3.49Å; Y28-K34 HydrophobicContact CD2-CG 3.88Å; K34-D67 IonicContact NZ-OD2 3.2Å; K34-L70 HydrophobicContact CD-CD2 3.79Å
35	F	88.1	Confident	82.1	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	159.6	-178	-55.7	-88.7	0	0	0	109.9	S17 I18 P26 V27 L29 H33 E37 L40 P54 M55	S17-F35 WeakPolarHBondContact OG-CE1 2.95Å; I18-F35 HydrophobicContact CD1-CD1 3.58Å; I18-F35 HydrophobicContact CD1-CE1 4.06Å; I18-F35 HydrophobicContact CD1-CG 4.38Å; I18-F35 HydrophobicContact CG1-CD1 3.87Å; I18-F35 HydrophobicContact CG1-CE1 4.16Å; P26-F35 CarbonylContact C-O 3.49Å; P26-F35 WeakPolarHBondContact CA-O 3.34Å; V27-F35 PolarHBondContact N-O 3.38Å; V27-F35 PolarHBondContact O-N 2.83Å; V27-F35 VanDerWaalsContact O-N 3.12Å; L29-F35 HydrophobicContact CD1-CD2 4.22Å; L29-F35 HydrophobicContact CD1-CE2 3.73Å; L29-F35 HydrophobicContact CG-CD2 4.32Å; L29-F35 HydrophobicContact CG-CE2 4.19Å; H33-F35 HydrophobicContact CB-CD2 4.41Å; H33-F35 HydrophobicContact CB-CE2 3.43Å; H33-F35 VanDerWaalsContact CB-CE2 3.43Å; H33-F35 HydrophobicContact CB-CZ 3.71Å; F35-E37 PolarHBondContact O-N 3.12Å; F35-L40 HydrophobicContact CB-CD1 3.82Å; F35-L40 HydrophobicContact CB-CD2 4.06Å; F35-L40 HydrophobicContact CB-CG 3.5Å; F35-L40 VanDerWaalsContact CB-CG 3.5Å; F35-L40 HydrophobicContact CD1-CD2 4.08Å; F35-L40 HydrophobicContact CD1-CG 4.45Å; F35-L40 HydrophobicContact CD2-CD1 3.68Å; F35-L40 HydrophobicContact CD2-CD2 3.58Å; F35-L40 HydrophobicContact CD2-CG 3.78Å; F35-L40 HydrophobicContact CE1-CD2 4.4Å; F35-L40 HydrophobicContact CE2-CD2 3.93Å; F35-L40 HydrophobicContact CG-CD1 4.01Å; F35-L40 HydrophobicContact CG-CD2 3.63Å; F35-L40 HydrophobicContact CG-CG 3.67Å; F35-L40 HydrophobicContact CZ-CD2 4.33Å; F35-P54 HydrophobicContact CD1-CG 4.45Å; F35-P54 HydrophobicContact CE1-CB 4.06Å; F35-P54 HydrophobicContact CE1-CG 3.79Å; F35-P54 HydrophobicContact CZ-CB 4.25Å; F35-P54 HydrophobicContact CZ-CG 3.86Å; F35-M55 HydrophobicContact CE1-CG 3.79Å; F35-M55 HydrophobicContact CZ-CB 4.31Å; F35-M55 HydrophobicContact CZ-CG 3.59Å
36	C	85.9	Confident	81	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	136.7	159.1	-54.4	0	0	0	0	107.7	C16 M24 A38 C39 L40	C16-C36 WeakPolarHBondContact CB-SG 3.42Å; C16-C36 PolarHBondContact SG-N 3.18Å; C16-C36 VanDerWaalsContact SG-N 3.36Å; M24-C36 PolarHBondContact N-SG 2.81Å; M24-C36 WeakPolarHBondContact O-CA 3.39Å; M24-C36 WeakPolarHBondContact O-CB 3.29Å; C36-A38 PolarHBondContact O-N 3.39Å; C36-C39 HydrophobicContact CB-CB 4.06Å; C36-C39 WeakPolarHBondContact O-CB 3.11Å; C36-C39 PolarHBondContact O-N 2.65Å; C36-L40 PolarHBondContact O-N 2.87Å
37	E	82.2	Confident	79.5	Confident	21 Å²	21	42.6 Å²	42.6	10%	0.098	21%	0.214	C	C	.	.	H	α-helix	trans	-52.2	-46.8	176.3	-172.1	173.7	-139.9	0	0	111.2	N25 V27 F35 C39 L40 L41	N25-E37 HydrophobicContact CB-CB 4.47Å; N25-E37 PolarHBondContact ND2-OE2 2.95Å; N25-E37 WeakPolarHBondContact O-CB 3.46Å; N25-E37 PolarHBondContact O-N 3.39Å; N25-E37 VanDerWaalsContact O-N 3.11Å; V27-E37 HydrophobicContact CG1-CB 3.77Å; V27-E37 HydrophobicContact CG1-CG 3.95Å; V27-E37 HydrophobicContact CG2-CB 4.27Å; F35-E37 PolarHBondContact O-N 3.12Å; E37-C39 VanDerWaalsContact C-N 3.32Å; E37-C39 PolarHBondContact O-N 3.07Å; E37-L40 PolarHBondContact O-N 3.3Å; E37-L41 HydrophobicContact CG-CD1 4.02Å; E37-L41 WeakPolarHBondContact O-CD1 3.38Å; E37-L41 VanDerWaalsContact O-CG 3.26Å; E37-L41 WeakPolarHBondContact O-CG 3.39Å; E37-L41 PolarHBondContact O-N 2.82Å; E37-L41 VanDerWaalsContact O-N 3.15Å
38	A	80.5	Confident	78.2	Confident	4 Å²	4	49.7 Å²	49.7	3%	0.033	24%	0.244	C	C	.	.	H	α-helix	trans	-56	-39.8	175.7	0	0	0	0	0	114.1	C36 L41 L42 M144 Y229 M233	C36-A38 PolarHBondContact O-N 3.39Å; A38-L41 PolarHBondContact O-N 2.67Å; A38-L42 WeakPolarHBondContact O-CG 3.44Å; A38-L42 PolarHBondContact O-N 3.4Å; A38-L42 VanDerWaalsContact O-N 3.15Å; A38-M144 HydrophobicContact CB-CE 3.83Å; A38-Y229 WeakPolarHBondContact CA-OH 3.34Å; A38-Y229 HydrophobicContact CB-CE1 3.61Å; A38-Y229 WeakPolarHBondContact CB-OH 2.91Å; A38-M233 HydrophobicContact CB-CE 3.63Å; A38-M233 HydrophobicContact CB-CG 3.99Å; A38-M233 HydrophobicContact CB-SD 3.66Å
39	C	85.7	Confident	76.7	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.014	27%	0.266	C	S	.	.	H	α-helix	trans	-65.3	-44.5	179.5	-71.2	0	0	0	0	111.9	I18 C19 C36 E37 L41 F43 M233	I18-C39 HydrophobicContact CB-CB 3.67Å; I18-C39 HydrophobicContact CD1-CB 3.56Å; I18-C39 HydrophobicContact CG1-CB 4.19Å; I18-C39 HydrophobicContact CG2-CB 3.73Å; C19-C39 VanDerWaalsContact CB-SG 3.55Å; C36-C39 HydrophobicContact CB-CB 4.06Å; C36-C39 WeakPolarHBondContact O-CB 3.11Å; C36-C39 PolarHBondContact O-N 2.65Å; E37-C39 VanDerWaalsContact C-N 3.32Å; E37-C39 PolarHBondContact O-N 3.07Å; C39-L41 VanDerWaalsContact C-N 3.27Å; C39-L41 PolarHBondContact O-N 3.36Å; C39-F43 WeakPolarHBondContact O-CB 3.42Å; C39-F43 PolarHBondContact O-N 3.43Å; C39-F43 VanDerWaalsContact O-N 3.08Å; C39-M233 HydrophobicContact CB-CE 4.06Å; C39-M233 WeakPolarHBondContact SG-CE 3.3Å
40	L	83.2	Confident	75.5	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-64.4	-35.4	178	-78.6	179.1	0	0	0	112.3	I18 V27 L29 F35 C36 E37 Q44 P54 Y64	I18-L40 HydrophobicContact CD1-CD2 4.26Å; V27-L40 HydrophobicContact CG2-CD1 3.58Å; L29-L40 HydrophobicContact CD1-CD1 4.3Å; L29-L40 HydrophobicContact CD1-CD2 4.37Å; L29-L40 HydrophobicContact CD2-CD1 3.89Å; L29-L40 HydrophobicContact CG-CD1 4.15Å; F35-L40 HydrophobicContact CB-CD1 3.82Å; F35-L40 HydrophobicContact CB-CD2 4.06Å; F35-L40 HydrophobicContact CB-CG 3.5Å; F35-L40 VanDerWaalsContact CB-CG 3.5Å; F35-L40 HydrophobicContact CD1-CD2 4.08Å; F35-L40 HydrophobicContact CD1-CG 4.45Å; F35-L40 HydrophobicContact CD2-CD1 3.68Å; F35-L40 HydrophobicContact CD2-CD2 3.58Å; F35-L40 HydrophobicContact CD2-CG 3.78Å; F35-L40 HydrophobicContact CE1-CD2 4.4Å; F35-L40 HydrophobicContact CE2-CD2 3.93Å; F35-L40 HydrophobicContact CG-CD1 4.01Å; F35-L40 HydrophobicContact CG-CD2 3.63Å; F35-L40 HydrophobicContact CG-CG 3.67Å; F35-L40 HydrophobicContact CZ-CD2 4.33Å; C36-L40 PolarHBondContact O-N 2.87Å; E37-L40 PolarHBondContact O-N 3.3Å; L40-Q44 VanDerWaalsContact O-CG 3.3Å; L40-Q44 WeakPolarHBondContact O-CG 3.12Å; L40-Q44 PolarHBondContact O-N 3.41Å; L40-Q44 VanDerWaalsContact O-N 3.11Å; L40-P54 HydrophobicContact CD2-CG 3.59Å; L40-Y64 HydrophobicContact CD1-CE1 4.05Å
41	L	77.2	Confident	75	Confident	27 Å²	27	50.3 Å²	50.3	14%	0.141	26%	0.257	C	S	.	.	H	α-helix	trans	-66	-48.8	-179.9	-69.6	161.1	0	0	0	111.7	E37 A38 C39 F43 Q44 E45 W148	E37-L41 HydrophobicContact CG-CD1 4.02Å; E37-L41 WeakPolarHBondContact O-CD1 3.38Å; E37-L41 VanDerWaalsContact O-CG 3.26Å; E37-L41 WeakPolarHBondContact O-CG 3.39Å; E37-L41 PolarHBondContact O-N 2.82Å; E37-L41 VanDerWaalsContact O-N 3.15Å; A38-L41 PolarHBondContact O-N 2.67Å; C39-L41 VanDerWaalsContact C-N 3.27Å; C39-L41 PolarHBondContact O-N 3.36Å; L41-F43 VanDerWaalsContact C-N 3.31Å; L41-F43 PolarHBondContact O-N 2.94Å; L41-Q44 WeakPolarHBondContact O-CB 3.3Å; L41-Q44 PolarHBondContact O-N 3.01Å; L41-Q44 VanDerWaalsContact O-N 3.16Å; L41-E45 PolarHBondContact O-N 3.46Å; L41-W148 HydrophobicContact CD1-CG 4.22Å; L41-W148 VanDerWaalsContact CD2-NE1 3.25Å
42	L	78.5	Confident	74.8	Confident	31 Å²	31	51.8 Å²	51.8	16%	0.162	26%	0.257	C	S	.	.	H	α-helix	trans	-64.9	-38.1	178.4	-66.8	175	0	0	0	111.4	A38 Q44 E45 T226 R230 M233	A38-L42 WeakPolarHBondContact O-CG 3.44Å; A38-L42 PolarHBondContact O-N 3.4Å; A38-L42 VanDerWaalsContact O-N 3.15Å; L42-Q44 PolarHBondContact O-N 2.92Å; L42-E45 WeakPolarHBondContact O-CB 3.24Å; L42-E45 PolarHBondContact O-N 3.1Å; L42-E45 VanDerWaalsContact O-N 3.08Å; L42-T226 HydrophobicContact CD2-CG2 3.64Å; L42-R230 HydrophobicContact CD1-CG 3.73Å; L42-R230 HydrophobicContact CD2-CG 4.05Å; L42-M233 HydrophobicContact CD1-SD 3.64Å
43	F	78.3	Confident	74.9	Confident	63 Å²	63	50.3 Å²	50.3	28%	0.276	24%	0.241	S	C	.	.	H	α-helix	trans	-61.7	-32.4	174.4	-176.5	-97.3	0	0	0	113.1	I18 C39 L41 E45 I47 P54	I18-F43 HydrophobicContact CD1-CB 4.41Å; C39-F43 WeakPolarHBondContact O-CB 3.42Å; C39-F43 PolarHBondContact O-N 3.43Å; C39-F43 VanDerWaalsContact O-N 3.08Å; L41-F43 VanDerWaalsContact C-N 3.31Å; L41-F43 PolarHBondContact O-N 2.94Å; F43-E45 VanDerWaalsContact C-N 3.28Å; F43-E45 PolarHBondContact O-N 3.09Å; F43-I47 HydrophobicContact CD1-CD1 4.26Å; F43-I47 HydrophobicContact CE1-CD1 3.53Å; F43-I47 HydrophobicContact CE2-CD1 4.37Å; F43-I47 HydrophobicContact CZ-CD1 3.59Å; F43-P54 HydrophobicContact CD1-CB 4.23Å; F43-P54 HydrophobicContact CD1-CG 3.68Å; F43-P54 HydrophobicContact CD2-CB 4.42Å; F43-P54 HydrophobicContact CD2-CG 4.49Å; F43-P54 HydrophobicContact CE1-CB 3.9Å; F43-P54 HydrophobicContact CE1-CG 3.75Å; F43-P54 HydrophobicContact CE2-CB 4.13Å; F43-P54 HydrophobicContact CG-CB 4.46Å; F43-P54 HydrophobicContact CG-CG 4.06Å; F43-P54 HydrophobicContact CZ-CB 3.85Å; F43-P54 HydrophobicContact CZ-CG 4.21Å
44	Q	72.9	Confident	74.8	Confident	36 Å²	36	49 Å²	49	17%	0.168	24%	0.238	C	C	.	.	H	α-helix	trans	-71.8	-18.6	176	-75.3	175.3	7.5	0	0	113.3	L40 L41 L42 D46 A51 Y64	L40-Q44 VanDerWaalsContact O-CG 3.3Å; L40-Q44 WeakPolarHBondContact O-CG 3.12Å; L40-Q44 PolarHBondContact O-N 3.41Å; L40-Q44 VanDerWaalsContact O-N 3.11Å; L41-Q44 WeakPolarHBondContact O-CB 3.3Å; L41-Q44 PolarHBondContact O-N 3.01Å; L41-Q44 VanDerWaalsContact O-N 3.16Å; L42-Q44 PolarHBondContact O-N 2.92Å; Q44-D46 PolarHBondContact O-N 3.19Å; Q44-A51 HydrophobicContact CG-CB 4.38Å; Q44-Y64 PolarHBondContact NE2-OH 3.07Å
45	E	63.4	Low	74.8	Confident	52 Å²	52	50.4 Å²	50.4	24%	0.243	25%	0.247	C	C	.	.	H	α-helix	trans	-65.7	-29.9	178	-61.4	-168.7	135.5	0	0	112.1	L41 L42 F43 R222 T226 R230	L41-E45 PolarHBondContact O-N 3.46Å; L42-E45 WeakPolarHBondContact O-CB 3.24Å; L42-E45 PolarHBondContact O-N 3.1Å; L42-E45 VanDerWaalsContact O-N 3.08Å; F43-E45 VanDerWaalsContact C-N 3.28Å; F43-E45 PolarHBondContact O-N 3.09Å; E45-R222 IonicContact OE1-NE 3.4Å; E45-R222 IonicContact OE1-NH2 3.88Å; E45-T226 WeakPolarHBondContact OE1-CG2 3.27Å; E45-T226 PolarHBondContact OE1-OG1 3.27Å; E45-T226 WeakPolarHBondContact OE2-CG2 3.43Å; E45-R230 IonicContact OE2-NH2 2.61Å; E45-R230 PolarHBondContact OE2-NH2 2.8Å
46	D	55.3	Low	74.8	Confident	145 Å²	145	52.6 Å²	52.6	78%	0.775	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-12.2	-174.9	-64.7	-40	0	0	0	113.6	Q44	Q44-D46 PolarHBondContact O-N 3.19Å
47	I	53.8	Low	74.8	Confident	67 Å²	67	58 Å²	58	34%	0.344	29%	0.288	S	S	.	.	S	Bend	trans	-125.7	122.6	-170.5	-57.8	170.6	0	0	0	111.2	F43 Y52	F43-I47 HydrophobicContact CD1-CD1 4.26Å; F43-I47 HydrophobicContact CE1-CD1 3.53Å; F43-I47 HydrophobicContact CE2-CD1 4.37Å; F43-I47 HydrophobicContact CZ-CD1 3.59Å; I47-Y52 HydrophobicContact CG2-CD2 4.33Å
48	K	55.7	Low	74.9	Confident	151 Å²	151	62.4 Å²	62.4	66%	0.657	31%	0.309	S	S	*	.			trans	-71.2	141.4	173.2	-64.6	-178.2	-173.2	177.7	0	110.6	R162	K48-R162 VanDerWaalsContact NZ-NH2 3.14Å
49	F	54.4	Low	74.9	Confident	177 Å²	177	66.1 Å²	66.1	78%	0.776	33%	0.332	S	S	*	.	S	Bend	trans	-41.8	141.6	-177.5	-126.9	-99.5	0	0	0	114.1
50	P	59.2	Low	74.4	Confident	56 Å²	56	67 Å²	67	36%	0.364	34%	0.336	S	S	.	.	S	Bend	cis	-81.6	158.7	7.7	31.5	-32.2	0	0	0	114.4	Y52	P50-Y52 HydrophobicContact CG-CE1 4.18Å; P50-Y52 HydrophobicContact CG-CE2 4.03Å; P50-Y52 VanDerWaalsContact CG-OH 3.31Å; P50-Y52 WeakPolarHBondContact CG-OH 3.49Å; P50-Y52 WeakPolarHBondContact O-CD2 3.36Å; P50-Y52 WeakPolarHBondContact O-CE2 3.49Å
51	A	73.1	Confident	73.5	Confident	12 Å²	12	72.6 Å²	72.6	10%	0.099	37%	0.366	C	S	.	.			trans	-73.3	133.9	176.7	0	0	0	0	0	111	Q44 P59 F60	Q44-A51 HydrophobicContact CG-CB 4.38Å; A51-P59 WeakPolarHBondContact O-CA 3.35Å; A51-F60 HydrophobicContact CB-CD1 4.39Å; A51-F60 HydrophobicContact CB-CE1 3.99Å; A51-F60 HydrophobicContact CB-CE2 4.44Å; A51-F60 HydrophobicContact CB-CZ 4.04Å; A51-F60 PolarHBondContact O-N 2.59Å
52	Y	82.5	Confident	72.9	Confident	77 Å²	77	75 Å²	75	30%	0.302	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-118.6	142.2	-178.1	-61.6	-78.9	0	0	0	111.6	I47 P50 P54 M57 P59 F60	I47-Y52 HydrophobicContact CG2-CD2 4.33Å; P50-Y52 HydrophobicContact CG-CE1 4.18Å; P50-Y52 HydrophobicContact CG-CE2 4.03Å; P50-Y52 VanDerWaalsContact CG-OH 3.31Å; P50-Y52 WeakPolarHBondContact CG-OH 3.49Å; P50-Y52 WeakPolarHBondContact O-CD2 3.36Å; P50-Y52 WeakPolarHBondContact O-CE2 3.49Å; Y52-P54 WeakPolarHBondContact O-CD 3.33Å; Y52-M57 WeakPolarHBondContact CD1-O 3.41Å; Y52-M57 HydrophobicContact CG-CE 4.39Å; Y52-P59 HydrophobicContact CD1-CB 4.21Å; Y52-P59 HydrophobicContact CE1-CB 4.17Å; Y52-F60 VanDerWaalsContact C-CE1 3.41Å; Y52-F60 WeakPolarHBondContact O-CE1 3.36Å
53	C	86.3	Confident	72	Confident	0 Å²	0	80 Å²	80	0%	0	40%	0.399	C	S	.	.			trans	-60	124.7	173.1	176.7	0	0	0	0	109.9	L29 M55 C56 M57 Q58	L29-C53 HydrophobicContact CD1-CB 3.94Å; C53-M55 PolarHBondContact O-N 3.25Å; C53-M55 VanDerWaalsContact O-N 3.08Å; C53-M55 PolarHBondContact SG-N 3.26Å; C53-C56 VanDerWaalsContact CB-SG 3.59Å; C53-C56 PolarHBondContact O-N 3.03Å; C53-M57 VanDerWaalsContact O-CA 3.3Å; C53-M57 WeakPolarHBondContact O-CA 3.38Å; C53-M57 PolarHBondContact O-N 3.16Å; C53-Q58 PolarHBondContact N-O 2.9Å
54	P	86.7	Confident	71.6	Confident	32 Å²	32	79 Å²	79	21%	0.208	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-25.2	179.6	-17.9	21.7	0	0	0	114.5	I18 F35 L40 F43 Y52	I18-P54 HydrophobicContact CD1-CB 4.41Å; I18-P54 HydrophobicContact CD1-CG 3.9Å; F35-P54 HydrophobicContact CD1-CG 4.45Å; F35-P54 HydrophobicContact CE1-CB 4.06Å; F35-P54 HydrophobicContact CE1-CG 3.79Å; F35-P54 HydrophobicContact CZ-CB 4.25Å; F35-P54 HydrophobicContact CZ-CG 3.86Å; L40-P54 HydrophobicContact CD2-CG 3.59Å; F43-P54 HydrophobicContact CD1-CB 4.23Å; F43-P54 HydrophobicContact CD1-CG 3.68Å; F43-P54 HydrophobicContact CD2-CB 4.42Å; F43-P54 HydrophobicContact CD2-CG 4.49Å; F43-P54 HydrophobicContact CE1-CB 3.9Å; F43-P54 HydrophobicContact CE1-CG 3.75Å; F43-P54 HydrophobicContact CE2-CB 4.13Å; F43-P54 HydrophobicContact CG-CB 4.46Å; F43-P54 HydrophobicContact CG-CG 4.06Å; F43-P54 HydrophobicContact CZ-CB 3.85Å; F43-P54 HydrophobicContact CZ-CG 4.21Å; Y52-P54 WeakPolarHBondContact O-CD 3.33Å
55	M	87.5	Confident	71.3	Confident	104 Å²	104	82.1 Å²	82.1	51%	0.512	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-35.1	-175.5	-67.7	-67.2	-64.9	0	0	113.7	S17 H33 F35 C53	S17-M55 VanDerWaalsContact CB-SD 3.57Å; S17-M55 PolarHBondContact OG-SD 3.42Å; S17-M55 VanDerWaalsContact OG-SD 3.33Å; H33-M55 HydrophobicContact CB-CB 4.49Å; H33-M55 HydrophobicContact CB-CG 4.47Å; F35-M55 HydrophobicContact CE1-CG 3.79Å; F35-M55 HydrophobicContact CZ-CB 4.31Å; F35-M55 HydrophobicContact CZ-CG 3.59Å; C53-M55 PolarHBondContact O-N 3.25Å; C53-M55 VanDerWaalsContact O-N 3.08Å; C53-M55 PolarHBondContact SG-N 3.26Å
56	C	89.3	Confident	71.5	Confident	47 Å²	47	84.1 Å²	84.1	32%	0.318	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	2.3	-170.7	68.5	0	0	0	0	114.6	C53 Q58	C53-C56 VanDerWaalsContact CB-SG 3.59Å; C53-C56 PolarHBondContact O-N 3.03Å; C56-Q58 PolarHBondContact O-N 3.46Å
57	M	84.7	Confident	72.4	Confident	112 Å²	112	79.5 Å²	79.5	55%	0.552	40%	0.398	S	S	*	.			trans	57.1	16	179.1	-58.2	-60.2	-69.7	0	0	114.9	Y52 C53	Y52-M57 WeakPolarHBondContact CD1-O 3.41Å; Y52-M57 HydrophobicContact CG-CE 4.39Å; C53-M57 VanDerWaalsContact O-CA 3.3Å; C53-M57 WeakPolarHBondContact O-CA 3.38Å; C53-M57 PolarHBondContact O-N 3.16Å
58	Q	84.6	Confident	73.6	Confident	114 Å²	114	81.9 Å²	81.9	53%	0.533	41%	0.411	S	S	.	.			trans	-71.3	132.6	173.4	-72.2	-67.3	-48.5	0	0	109.9	C31 C53 C56	C31-Q58 HydrophobicContact CB-CB 4.24Å; C53-Q58 PolarHBondContact N-O 2.9Å; C56-Q58 PolarHBondContact O-N 3.46Å
59	P	81.1	Confident	74.8	Confident	82 Å²	82	77.9 Å²	77.9	53%	0.532	40%	0.402	S	S	.	.	B	Isolated β-bridge	trans	-66.4	142	176.4	28.2	-33.5	0	0	0	110	A51 Y52	A51-P59 WeakPolarHBondContact O-CA 3.35Å; Y52-P59 HydrophobicContact CD1-CB 4.21Å; Y52-P59 HydrophobicContact CE1-CB 4.17Å
60	F	74.8	Confident	76.1	Confident	21 Å²	21	69.7 Å²	69.7	9%	0.092	37%	0.366	C	S	.	.			trans	-140.6	153.7	177.3	72.3	-86	0	0	0	112.2	L29 A51 Y52 Y64	L29-F60 HydrophobicContact CD1-CD1 3.92Å; L29-F60 HydrophobicContact CD1-CD2 4.46Å; L29-F60 HydrophobicContact CD1-CE1 3.81Å; L29-F60 HydrophobicContact CD1-CE2 4.38Å; L29-F60 HydrophobicContact CD1-CG 4.22Å; L29-F60 HydrophobicContact CD1-CZ 4.03Å; L29-F60 HydrophobicContact CD2-CD1 4.48Å; L29-F60 HydrophobicContact CD2-CD2 3.55Å; L29-F60 HydrophobicContact CD2-CE1 4.42Å; L29-F60 HydrophobicContact CD2-CE2 3.52Å; L29-F60 HydrophobicContact CD2-CG 4.05Å; L29-F60 HydrophobicContact CD2-CZ 3.95Å; A51-F60 HydrophobicContact CB-CD1 4.39Å; A51-F60 HydrophobicContact CB-CE1 3.99Å; A51-F60 HydrophobicContact CB-CE2 4.44Å; A51-F60 HydrophobicContact CB-CZ 4.04Å; A51-F60 PolarHBondContact O-N 2.59Å; Y52-F60 VanDerWaalsContact C-CE1 3.41Å; Y52-F60 WeakPolarHBondContact O-CE1 3.36Å; F60-Y64 HydrophobicContact CE2-CE1 4.02Å
61	N	65	Low	77.2	Confident	118 Å²	118	70.2 Å²	70.2	63%	0.631	36%	0.362	S	S	*	.			trans	-92.6	150	172.1	-64.2	-12.8	0	0	0	109.4	E63	N61-E63 PolarHBondContact O-N 3Å
62	Q	63.9	Low	77.7	Confident	78 Å²	78	76.1 Å²	76.1	36%	0.364	39%	0.386	S	S	.	.	S	Bend	trans	-64.8	23.6	-177	-103.5	177.6	-2.8	0	0	115.9	Y64	Q62-Y64 HydrophobicContact CG-CE2 4.23Å; Q62-Y64 PolarHBondContact O-N 3.39Å
63	E	60.1	Low	77.9	Confident	136 Å²	136	76.5 Å²	76.5	64%	0.636	39%	0.39	S	S	*	.			trans	-88.9	92	172.4	-70.7	176.6	173.4	0	0	109.2	K30 N61	K30-E63 IonicContact NZ-OE2 3.85Å; N61-E63 PolarHBondContact O-N 3Å
64	Y	69	Low	77.9	Confident	42 Å²	42	77 Å²	77	17%	0.165	39%	0.393	C	S	.	.			trans	-80.5	137.9	175.1	-53.8	-68.9	0	0	0	110.7	V27 L29 L40 Q44 F60 Q62	V27-Y64 HydrophobicContact CB-CD1 4.03Å; V27-Y64 HydrophobicContact CB-CG 4.27Å; V27-Y64 HydrophobicContact CG1-CD1 4.38Å; V27-Y64 HydrophobicContact CG1-CG 4.18Å; V27-Y64 HydrophobicContact CG2-CD1 4.1Å; L29-Y64 HydrophobicContact CD2-CD1 4.19Å; L29-Y64 HydrophobicContact CD2-CE1 4.12Å; L40-Y64 HydrophobicContact CD1-CE1 4.05Å; Q44-Y64 PolarHBondContact NE2-OH 3.07Å; F60-Y64 HydrophobicContact CE2-CE1 4.02Å; Q62-Y64 HydrophobicContact CG-CE2 4.23Å; Q62-Y64 PolarHBondContact O-N 3.39Å
65	I	68	Low	77.7	Confident	102 Å²	102	77.9 Å²	77.9	52%	0.523	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.3	170.8	-57.1	175.3	0	0	0	108	Y28 D67	Y28-I65 PolarHBondContact N-O 3.24Å; I65-D67 PolarHBondContact O-N 2.84Å
66	N	66.9	Low	77.7	Confident	94 Å²	94	78.4 Å²	78.4	50%	0.503	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	116	174.1	-94.4	-50.5	0	0	0	110	I68 K71	N66-I68 PolarHBondContact O-N 3.49Å; N66-K71 PolarHBondContact OD1-NZ 3.21Å
67	D	74.4	Confident	77.6	Confident	48 Å²	48	76.8 Å²	76.8	26%	0.257	39%	0.393	S	S	.	.			trans	-93.8	96.5	176.1	-171.4	-20	0	0	0	110.7	K34 I65 S69 L70 K71	K34-D67 IonicContact NZ-OD2 3.2Å; I65-D67 PolarHBondContact O-N 2.84Å; D67-S69 VanDerWaalsContact C-N 3.25Å; D67-S69 PolarHBondContact O-N 3.49Å; D67-S69 WeakPolarHBondContact OD1-CA 3.32Å; D67-S69 VanDerWaalsContact OD1-CB 3.27Å; D67-S69 WeakPolarHBondContact OD1-CB 3.37Å; D67-S69 PolarHBondContact OD1-N 2.94Å; D67-L70 HydrophobicContact CB-CB 3.84Å; D67-L70 HydrophobicContact CB-CD2 4.46Å; D67-L70 VanDerWaalsContact CG-CB 3.47Å; D67-L70 PolarHBondContact O-N 3.39Å; D67-L70 PolarHBondContact OD1-N 3.24Å; D67-K71 PolarHBondContact O-N 3.38Å; D67-K71 VanDerWaalsContact O-N 3.14Å
68	I	77.9	Confident	77.7	Confident	117 Å²	117	72.3 Å²	72.3	60%	0.6	37%	0.37	S	S	*	.	H	α-helix	trans	-62.9	-34	178.9	-61.1	172.2	0	0	0	111.2	N66 K71 K72	N66-I68 PolarHBondContact O-N 3.49Å; I68-K71 PolarHBondContact O-N 3.24Å; I68-K72 WeakPolarHBondContact O-CG 3.29Å; I68-K72 PolarHBondContact O-N 3.34Å; I68-K72 VanDerWaalsContact O-N 3.16Å
69	S	82	Confident	77.8	Confident	67 Å²	67	70.9 Å²	70.9	47%	0.469	36%	0.362	S	S	.	.	H	α-helix	trans	-65.6	-45.4	179.8	-170.1	0	0	0	0	110.3	D67 K71 K72 Q73	D67-S69 VanDerWaalsContact C-N 3.25Å; D67-S69 PolarHBondContact O-N 3.49Å; D67-S69 WeakPolarHBondContact OD1-CA 3.32Å; D67-S69 VanDerWaalsContact OD1-CB 3.27Å; D67-S69 WeakPolarHBondContact OD1-CB 3.37Å; D67-S69 PolarHBondContact OD1-N 2.94Å; S69-K71 PolarHBondContact O-N 2.9Å; S69-K72 WeakPolarHBondContact O-CB 3.44Å; S69-K72 PolarHBondContact O-N 3.04Å; S69-Q73 WeakPolarHBondContact O-CG 3.47Å; S69-Q73 PolarHBondContact O-N 2.93Å
70	L	82.1	Confident	78.2	Confident	5 Å²	5	71 Å²	71	3%	0.026	35%	0.354	C	S	.	.	H	α-helix	trans	-65	-39.3	178.5	-169.8	61.6	0	0	0	112.6	L14 F23 P26 K34 D67 K72 Q73 V74	L14-L70 HydrophobicContact CD2-CD1 3.27Å; F23-L70 HydrophobicContact CD2-CD1 4.31Å; F23-L70 HydrophobicContact CD2-CD2 4.19Å; F23-L70 HydrophobicContact CD2-CG 4.38Å; F23-L70 HydrophobicContact CE2-CD2 4.39Å; P26-L70 HydrophobicContact CB-CD2 3.4Å; P26-L70 HydrophobicContact CB-CG 4Å; P26-L70 HydrophobicContact CG-CB 4.1Å; P26-L70 HydrophobicContact CG-CD2 3.66Å; P26-L70 HydrophobicContact CG-CG 3.71Å; K34-L70 HydrophobicContact CD-CD2 3.79Å; D67-L70 HydrophobicContact CB-CB 3.84Å; D67-L70 HydrophobicContact CB-CD2 4.46Å; D67-L70 VanDerWaalsContact CG-CB 3.47Å; D67-L70 PolarHBondContact O-N 3.39Å; D67-L70 PolarHBondContact OD1-N 3.24Å; L70-K72 VanDerWaalsContact C-N 3.31Å; L70-K72 PolarHBondContact O-N 2.97Å; L70-Q73 PolarHBondContact O-N 2.85Å; L70-V74 WeakPolarHBondContact O-CG2 3.41Å; L70-V74 PolarHBondContact O-N 3.49Å
71	K	82	Confident	78.9	Confident	66 Å²	66	74.6 Å²	74.6	29%	0.287	37%	0.367	S	S	.	.	H	α-helix	trans	-57.6	-43.7	172.4	-72.3	-177.9	-164.8	-170	0	111.7	N25 P26 N66 D67 I68 S69 V74 S75	N25-K71 WeakPolarHBondContact OD1-CE 3.36Å; N25-K71 PolarHBondContact OD1-NZ 3.48Å; P26-K71 HydrophobicContact CG-CG 4.06Å; N66-K71 PolarHBondContact OD1-NZ 3.21Å; D67-K71 PolarHBondContact O-N 3.38Å; D67-K71 VanDerWaalsContact O-N 3.14Å; I68-K71 PolarHBondContact O-N 3.24Å; S69-K71 PolarHBondContact O-N 2.9Å; K71-V74 PolarHBondContact O-N 3.42Å; K71-S75 PolarHBondContact O-N 3.31Å; K71-S75 VanDerWaalsContact O-N 3.1Å; K71-S75 PolarHBondContact O-OG 3.05Å; K71-S75 VanDerWaalsContact O-OG 3.14Å
72	K	83.4	Confident	80	Confident	137 Å²	137	69.1 Å²	69.1	60%	0.596	34%	0.338	S	S	*	.	H	α-helix	trans	-63.4	-43.8	176.7	-70.8	176.4	179	-177.2	0	111.9	I68 S69 L70 S75 I76	I68-K72 WeakPolarHBondContact O-CG 3.29Å; I68-K72 PolarHBondContact O-N 3.34Å; I68-K72 VanDerWaalsContact O-N 3.16Å; S69-K72 WeakPolarHBondContact O-CB 3.44Å; S69-K72 PolarHBondContact O-N 3.04Å; L70-K72 VanDerWaalsContact C-N 3.31Å; L70-K72 PolarHBondContact O-N 2.97Å; K72-S75 PolarHBondContact O-N 2.99Å; K72-I76 WeakPolarHBondContact O-CG1 3.41Å; K72-I76 PolarHBondContact O-N 3.25Å
73	Q	86.3	Confident	81.2	Confident	84 Å²	84	68.8 Å²	68.8	39%	0.393	34%	0.337	S	S	.	.	H	α-helix	trans	-62.2	-43.8	178.5	-69.2	176.6	17.5	0	0	112	L14 S69 L70 S75 I76 V77	L14-Q73 HydrophobicContact CD1-CB 4.16Å; L14-Q73 HydrophobicContact CD2-CB 4.02Å; S69-Q73 WeakPolarHBondContact O-CG 3.47Å; S69-Q73 PolarHBondContact O-N 2.93Å; L70-Q73 PolarHBondContact O-N 2.85Å; Q73-S75 VanDerWaalsContact C-N 3.35Å; Q73-S75 PolarHBondContact O-N 3.41Å; Q73-I76 PolarHBondContact O-N 3.36Å; Q73-V77 PolarHBondContact O-N 3.25Å; Q73-V77 VanDerWaalsContact O-N 3.08Å
74	V	85.5	Confident	82.6	Confident	10 Å²	10	67.2 Å²	67.2	6%	0.061	33%	0.33	C	S	.	.	H	α-helix	trans	-56.2	-47.4	173.1	162.1	0	0	0	0	111.7	I22 F23 L70 K71 I76 V77 R78	I22-V74 HydrophobicContact CG2-CB 4.21Å; I22-V74 HydrophobicContact CG2-CG1 3.68Å; I22-V74 HydrophobicContact CG2-CG2 3.92Å; F23-V74 HydrophobicContact CB-CG2 3.86Å; F23-V74 VanDerWaalsContact O-CG1 3.3Å; F23-V74 WeakPolarHBondContact O-CG1 3.38Å; L70-V74 WeakPolarHBondContact O-CG2 3.41Å; L70-V74 PolarHBondContact O-N 3.49Å; K71-V74 PolarHBondContact O-N 3.42Å; V74-I76 VanDerWaalsContact C-N 3.31Å; V74-I76 PolarHBondContact O-N 3.41Å; V74-V77 PolarHBondContact O-N 3.48Å; V74-R78 WeakPolarHBondContact O-CG 3.3Å; V74-R78 PolarHBondContact O-N 3.06Å
75	S	83.7	Confident	83.4	Confident	51 Å²	51	68.9 Å²	68.9	36%	0.357	34%	0.336	S	S	.	.	H	α-helix	trans	-61.8	-39.3	179	-61.4	0	0	0	0	112.1	K71 K72 Q73 K79	K71-S75 PolarHBondContact O-N 3.31Å; K71-S75 VanDerWaalsContact O-N 3.1Å; K71-S75 PolarHBondContact O-OG 3.05Å; K71-S75 VanDerWaalsContact O-OG 3.14Å; K72-S75 PolarHBondContact O-N 2.99Å; Q73-S75 VanDerWaalsContact C-N 3.35Å; Q73-S75 PolarHBondContact O-N 3.41Å; S75-K79 WeakPolarHBondContact O-CB 3.5Å; S75-K79 VanDerWaalsContact O-CG 3.32Å; S75-K79 WeakPolarHBondContact O-CG 3.36Å; S75-K79 PolarHBondContact O-N 3.15Å
76	I	86.6	Confident	84.4	Confident	115 Å²	115	64 Å²	64	59%	0.59	31%	0.311	S	S	*	.	H	α-helix	trans	-62.3	-48.8	177.3	-68.7	164.3	0	0	0	110.6	K72 Q73 V74 R78 K79 K80	K72-I76 WeakPolarHBondContact O-CG1 3.41Å; K72-I76 PolarHBondContact O-N 3.25Å; Q73-I76 PolarHBondContact O-N 3.36Å; V74-I76 VanDerWaalsContact C-N 3.31Å; V74-I76 PolarHBondContact O-N 3.41Å; I76-R78 PolarHBondContact O-N 3.38Å; I76-K79 PolarHBondContact O-N 3.41Å; I76-K80 PolarHBondContact O-N 2.89Å
77	V	88.1	Confident	85.3	Confident	14 Å²	14	63 Å²	63	9%	0.085	31%	0.306	C	S	.	.	H	α-helix	trans	-62.1	-45.7	179.7	169.1	0	0	0	0	111.6	E11 L14 I22 Q73 V74 K79 K80 R81	E11-V77 HydrophobicContact CG-CG1 3.76Å; E11-V77 HydrophobicContact CG-CG2 4.16Å; E11-V77 WeakPolarHBondContact OE1-CG1 3.4Å; L14-V77 HydrophobicContact CD1-CB 4.49Å; L14-V77 HydrophobicContact CD1-CG2 3.6Å; I22-V77 HydrophobicContact CD1-CG1 3.79Å; Q73-V77 PolarHBondContact O-N 3.25Å; Q73-V77 VanDerWaalsContact O-N 3.08Å; V74-V77 PolarHBondContact O-N 3.48Å; V77-K79 VanDerWaalsContact C-N 3.31Å; V77-K79 PolarHBondContact O-N 3.28Å; V77-K80 WeakPolarHBondContact O-CB 3.26Å; V77-K80 PolarHBondContact O-N 3.24Å; V77-R81 PolarHBondContact O-N 3.31Å
78	R	86.9	Confident	85.9	Confident	17 Å²	17	62.9 Å²	62.9	6%	0.064	31%	0.308	C	S	.	.	H	α-helix	trans	-64	-36.5	178.4	-68.8	-176.4	169.1	-143.5	-4.7	112.3	I22 M24 V74 I76 L82 S236 Y240	I22-R78 HydrophobicContact CD1-CG 4.04Å; I22-R78 HydrophobicContact CG2-CG 4.46Å; M24-R78 VanDerWaalsContact CG-NH2 3.28Å; M24-R78 PolarHBondContact SD-NH1 3.44Å; M24-R78 PolarHBondContact SD-NH2 3.41Å; V74-R78 WeakPolarHBondContact O-CG 3.3Å; V74-R78 PolarHBondContact O-N 3.06Å; I76-R78 PolarHBondContact O-N 3.38Å; R78-L82 PolarHBondContact O-N 3.26Å; R78-L82 VanDerWaalsContact O-N 3.08Å; R78-S236 PolarHBondContact NH1-O 3.38Å; R78-S236 PolarHBondContact NH2-O 3.33Å; R78-Y240 HydrophobicContact CB-CD2 3.95Å; R78-Y240 HydrophobicContact CB-CE1 3.98Å; R78-Y240 HydrophobicContact CB-CE2 3.28Å; R78-Y240 WeakPolarHBondContact CB-OH 3.38Å; R78-Y240 WeakPolarHBondContact CD-OH 3.49Å; R78-Y240 HydrophobicContact CG-CE1 4.39Å; R78-Y240 HydrophobicContact CG-CE2 4.47Å
79	K	87.1	Confident	86.1	Confident	85 Å²	85	63.9 Å²	63.9	37%	0.37	31%	0.311	S	S	.	.	H	α-helix	trans	-65.6	-41.7	172.7	-77.1	-172.8	177.6	-139.7	0	112.5	S75 I76 V77 R81 L82 M83 D130 Y240	S75-K79 WeakPolarHBondContact O-CB 3.5Å; S75-K79 VanDerWaalsContact O-CG 3.32Å; S75-K79 WeakPolarHBondContact O-CG 3.36Å; S75-K79 PolarHBondContact O-N 3.15Å; I76-K79 PolarHBondContact O-N 3.41Å; V77-K79 VanDerWaalsContact C-N 3.31Å; V77-K79 PolarHBondContact O-N 3.28Å; K79-R81 PolarHBondContact O-N 2.86Å; K79-L82 WeakPolarHBondContact O-CB 3.34Å; K79-L82 PolarHBondContact O-N 3.17Å; K79-M83 WeakPolarHBondContact O-CG 3.39Å; K79-M83 PolarHBondContact O-N 3.43Å; K79-D130 WeakPolarHBondContact CE-OD1 3.34Å; K79-D130 IonicContact NZ-OD1 3.71Å; K79-D130 PolarHBondContact NZ-OD1 2.85Å; K79-Y240 HydrophobicContact CG-CE2 4.25Å
80	K	88.5	Confident	86.1	Confident	84 Å²	84	68.3 Å²	68.3	37%	0.365	32%	0.324	S	S	.	.	H	α-helix	trans	-56.5	-50.8	175.2	-176.6	-172	174	-164	0	110.8	D8 I76 V77 L82 M83 E84	D8-K80 IonicContact OD2-NZ 3.27Å; D8-K80 PolarHBondContact OD2-NZ 3.39Å; I76-K80 PolarHBondContact O-N 2.89Å; V77-K80 WeakPolarHBondContact O-CB 3.26Å; V77-K80 PolarHBondContact O-N 3.24Å; K80-L82 VanDerWaalsContact C-N 3.31Å; K80-L82 PolarHBondContact O-N 2.86Å; K80-M83 PolarHBondContact O-N 2.61Å; K80-M83 VanDerWaalsContact O-N 3.07Å; K80-E84 VanDerWaalsContact CE-OE1 3.3Å; K80-E84 WeakPolarHBondContact CE-OE1 3.29Å; K80-E84 WeakPolarHBondContact O-CG 3.44Å; K80-E84 PolarHBondContact O-N 3.04Å
81	R	88.8	Confident	86.2	Confident	97 Å²	97	70.1 Å²	70.1	37%	0.366	33%	0.332	S	S	.	.	H	α-helix	trans	-59	-39.5	176.9	-69.3	-177.6	179.2	-167.5	0.2	113	E11 V77 K79 E84 Y85	E11-R81 IonicContact OE1-NE 2.65Å; E11-R81 IonicContact OE2-CZ 3.58Å; E11-R81 IonicContact OE2-NE 3.93Å; E11-R81 PolarHBondContact OE2-NE 3.46Å; E11-R81 IonicContact OE2-NH2 3.09Å; E11-R81 PolarHBondContact OE2-NH2 3.03Å; V77-R81 PolarHBondContact O-N 3.31Å; K79-R81 PolarHBondContact O-N 2.86Å; R81-E84 PolarHBondContact O-N 2.9Å; R81-Y85 PolarHBondContact O-N 3.39Å
82	L	88.4	Confident	86.6	Confident	3 Å²	3	69.3 Å²	69.3	2%	0.016	33%	0.329	C	S	.	.	H	α-helix	trans	-63.4	-43.7	174.5	-179.8	62.1	0	0	0	111.7	R78 K79 K80 Y85 L86 I129 V133 Y240 Q241	R78-L82 PolarHBondContact O-N 3.26Å; R78-L82 VanDerWaalsContact O-N 3.08Å; K79-L82 WeakPolarHBondContact O-CB 3.34Å; K79-L82 PolarHBondContact O-N 3.17Å; K80-L82 VanDerWaalsContact C-N 3.31Å; K80-L82 PolarHBondContact O-N 2.86Å; L82-Y85 WeakPolarHBondContact O-CB 3.29Å; L82-Y85 PolarHBondContact O-N 3.27Å; L82-L86 HydrophobicContact CD1-CD1 4.32Å; L82-L86 HydrophobicContact CD1-CG 4.36Å; L82-L86 HydrophobicContact CG-CD1 4.07Å; L82-L86 VanDerWaalsContact O-CG 3.3Å; L82-L86 WeakPolarHBondContact O-CG 2.99Å; L82-L86 PolarHBondContact O-N 3.42Å; L82-I129 HydrophobicContact CD1-CD1 3.81Å; L82-I129 HydrophobicContact CD2-CD1 4.02Å; L82-I129 HydrophobicContact CD2-CG1 4.16Å; L82-I129 HydrophobicContact CD2-CG2 4.36Å; L82-I129 HydrophobicContact CG-CD1 4.28Å; L82-V133 HydrophobicContact CD2-CG2 4.18Å; L82-Y240 HydrophobicContact CB-CD2 4.27Å; L82-Y240 HydrophobicContact CD2-CD2 4.13Å; L82-Q241 HydrophobicContact CD1-CB 4.09Å
83	M	88.9	Confident	87	Confident	70 Å²	70	63.1 Å²	63.1	35%	0.345	30%	0.303	S	S	.	.	H	α-helix	trans	-65.7	-39.4	178.4	-68.5	-55.5	-62.9	0	0	112.1	K79 K80 Y85 L86 N87 M101	K79-M83 WeakPolarHBondContact O-CG 3.39Å; K79-M83 PolarHBondContact O-N 3.43Å; K80-M83 PolarHBondContact O-N 2.61Å; K80-M83 VanDerWaalsContact O-N 3.07Å; M83-Y85 VanDerWaalsContact C-N 3.35Å; M83-L86 PolarHBondContact O-N 2.99Å; M83-L86 HydrophobicContact SD-CD1 4.35Å; M83-N87 WeakPolarHBondContact O-CB 3.26Å; M83-N87 PolarHBondContact O-N 3.01Å; M83-N87 PolarHBondContact O-ND2 3.2Å; M83-N87 PolarHBondContact O-OD1 2.94Å; M83-M101 HydrophobicContact CE-CE 4.14Å; M83-M101 HydrophobicContact SD-CE 3.94Å
84	E	89.3	Confident	87.1	Confident	104 Å²	104	64.8 Å²	64.8	49%	0.486	32%	0.318	S	S	.	.	H	α-helix	trans	-58.8	-46	173	-72.3	165.7	177.4	0	0	111.3	K80 R81 N87	K80-E84 VanDerWaalsContact CE-OE1 3.3Å; K80-E84 WeakPolarHBondContact CE-OE1 3.29Å; K80-E84 WeakPolarHBondContact O-CG 3.44Å; K80-E84 PolarHBondContact O-N 3.04Å; R81-E84 PolarHBondContact O-N 2.9Å; E84-N87 PolarHBondContact O-N 3.05Å
85	Y	87.6	Confident	87.3	Confident	76 Å²	76	69.7 Å²	69.7	30%	0.298	35%	0.349	S	S	.	.	H	α-helix	trans	-56.9	-52.1	173.5	173.5	-93.7	0	0	0	111.9	R81 L82 M83 N87 S88 H91 Q241	R81-Y85 PolarHBondContact O-N 3.39Å; L82-Y85 WeakPolarHBondContact O-CB 3.29Å; L82-Y85 PolarHBondContact O-N 3.27Å; M83-Y85 VanDerWaalsContact C-N 3.35Å; Y85-N87 PolarHBondContact O-N 3.35Å; Y85-N87 VanDerWaalsContact O-N 3.16Å; Y85-S88 WeakPolarHBondContact O-CB 3.43Å; Y85-S88 PolarHBondContact O-N 3.49Å; Y85-S88 VanDerWaalsContact O-N 3.15Å; Y85-H91 AromaticContact CD2-CD2 3.62Å; Y85-H91 AromaticContact CD2-NE2 3.61Å; Y85-H91 HydrophobicContact CE1-CB 4.49Å; Y85-H91 AromaticContact CE1-CD2 3.8Å; Y85-H91 AromaticContact CE1-CG 3.94Å; Y85-H91 AromaticContact CE2-CD2 3.34Å; Y85-H91 WeakPolarHBondContact CE2-CD2 3.43Å; Y85-H91 AromaticContact CE2-CE1 3.66Å; Y85-H91 AromaticContact CE2-NE2 2.99Å; Y85-H91 WeakPolarHBondContact CE2-NE2 3.23Å; Y85-H91 AromaticContact CG-CD2 3.99Å; Y85-H91 AromaticContact CZ-CD2 3.4Å; Y85-H91 VanDerWaalsContact CZ-CD2 3.4Å; Y85-H91 AromaticContact CZ-CE1 3.58Å; Y85-H91 AromaticContact CZ-CG 3.72Å; Y85-H91 AromaticContact CZ-ND1 3.81Å; Y85-H91 AromaticContact CZ-NE2 3.31Å; Y85-H91 VanDerWaalsContact CZ-NE2 3.31Å; Y85-H91 PolarHBondContact O-CD2 3.2Å; Y85-H91 VanDerWaalsContact O-CD2 3.25Å; Y85-H91 PolarHBondContact OH-CE1 3.42Å; Y85-H91 VanDerWaalsContact OH-CE1 3.28Å; Y85-H91 PolarHBondContact OH-ND1 2.91Å; Y85-Q241 HydrophobicContact CD1-CB 4.12Å; Y85-Q241 HydrophobicContact CD1-CG 3.9Å; Y85-Q241 HydrophobicContact CD2-CG 4.21Å; Y85-Q241 HydrophobicContact CE1-CB 3.82Å; Y85-Q241 HydrophobicContact CE1-CG 3.68Å; Y85-Q241 HydrophobicContact CE2-CG 3.97Å; Y85-Q241 HydrophobicContact CG-CG 4.17Å
86	L	87.1	Confident	87.7	Confident	1 Å²	1	71 Å²	71	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-67.2	-17.5	-178.2	-63.8	171.5	0	0	0	114	L82 M83 M101 L110 I129	L82-L86 HydrophobicContact CD1-CD1 4.32Å; L82-L86 HydrophobicContact CD1-CG 4.36Å; L82-L86 HydrophobicContact CG-CD1 4.07Å; L82-L86 VanDerWaalsContact O-CG 3.3Å; L82-L86 WeakPolarHBondContact O-CG 2.99Å; L82-L86 PolarHBondContact O-N 3.42Å; M83-L86 PolarHBondContact O-N 2.99Å; M83-L86 HydrophobicContact SD-CD1 4.35Å; L86-M101 HydrophobicContact CB-SD 4.33Å; L86-M101 HydrophobicContact CD1-CE 3.84Å; L86-M101 HydrophobicContact CD1-SD 3.58Å; L86-M101 VanDerWaalsContact CD1-SD 3.58Å; L86-M101 HydrophobicContact CG-SD 4.49Å; L86-L110 HydrophobicContact CD2-CD1 4.01Å; L86-I129 HydrophobicContact CD1-CD1 3.94Å; L86-I129 HydrophobicContact CD1-CG2 4.04Å; L86-I129 HydrophobicContact CD2-CD1 4.1Å
87	N	86.8	Confident	87.9	Confident	72 Å²	72	72.3 Å²	72.3	39%	0.385	35%	0.35	S	S	.	.	H	α-helix	trans	-83.3	-15.6	177.6	-70.3	-24.3	0	0	0	113.2	M83 E84 Y85 K99	M83-N87 WeakPolarHBondContact O-CB 3.26Å; M83-N87 PolarHBondContact O-N 3.01Å; M83-N87 PolarHBondContact O-ND2 3.2Å; M83-N87 PolarHBondContact O-OD1 2.94Å; E84-N87 PolarHBondContact O-N 3.05Å; Y85-N87 PolarHBondContact O-N 3.35Å; Y85-N87 VanDerWaalsContact O-N 3.16Å; N87-K99 WeakPolarHBondContact OD1-CE 3.46Å; N87-K99 PolarHBondContact OD1-NZ 3.47Å
88	S	87.3	Confident	88	Confident	45 Å²	45	73.6 Å²	73.6	32%	0.315	36%	0.362	S	S	.	.	S	Bend	trans	-61.2	141.9	175.3	178.2	0	0	0	0	111.7	Y85 E90 H91	Y85-S88 WeakPolarHBondContact O-CB 3.43Å; Y85-S88 PolarHBondContact O-N 3.49Å; Y85-S88 VanDerWaalsContact O-N 3.15Å; S88-E90 PolarHBondContact O-N 3.07Å; S88-E90 PolarHBondContact OG-N 2.95Å; S88-H91 PolarHBondContact O-N 3.35Å
89	E	82.4	Confident	88.2	Confident	138 Å²	138	77 Å²	77	65%	0.645	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-58.7	-31.2	176.3	-68.2	-59.6	151.9	0	0	112.3	H91 K92	E89-H91 PolarHBondContact O-N 3.46Å; E89-K92 PolarHBondContact O-N 3.35Å; E89-K92 IonicContact OE1-NZ 2.65Å; E89-K92 PolarHBondContact OE1-NZ 3.08Å; E89-K92 VanDerWaalsContact OE2-CD 3.31Å; E89-K92 WeakPolarHBondContact OE2-CD 3.43Å; E89-K92 WeakPolarHBondContact OE2-CE 3.45Å; E89-K92 IonicContact OE2-NZ 3.94Å; E89-K92 PolarHBondContact OE2-NZ 3.24Å
90	E	82.3	Confident	88.4	Confident	160 Å²	160	76 Å²	76	75%	0.748	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-64.4	-20.7	178.1	-63.1	-177.1	169.4	0	0	113.2	S88	S88-E90 PolarHBondContact O-N 3.07Å; S88-E90 PolarHBondContact OG-N 2.95Å
91	H	83.8	Confident	88.6	Confident	43 Å²	43	73.8 Å²	73.8	20%	0.199	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-111.2	9.7	-173.9	-59.4	-38.7	0	0	0	113.5	Y85 S88 E89 K100	Y85-H91 AromaticContact CD2-CD2 3.62Å; Y85-H91 AromaticContact CD2-NE2 3.61Å; Y85-H91 HydrophobicContact CE1-CB 4.49Å; Y85-H91 AromaticContact CE1-CD2 3.8Å; Y85-H91 AromaticContact CE1-CG 3.94Å; Y85-H91 AromaticContact CE2-CD2 3.34Å; Y85-H91 WeakPolarHBondContact CE2-CD2 3.43Å; Y85-H91 AromaticContact CE2-CE1 3.66Å; Y85-H91 AromaticContact CE2-NE2 2.99Å; Y85-H91 WeakPolarHBondContact CE2-NE2 3.23Å; Y85-H91 AromaticContact CG-CD2 3.99Å; Y85-H91 AromaticContact CZ-CD2 3.4Å; Y85-H91 VanDerWaalsContact CZ-CD2 3.4Å; Y85-H91 AromaticContact CZ-CE1 3.58Å; Y85-H91 AromaticContact CZ-CG 3.72Å; Y85-H91 AromaticContact CZ-ND1 3.81Å; Y85-H91 AromaticContact CZ-NE2 3.31Å; Y85-H91 VanDerWaalsContact CZ-NE2 3.31Å; Y85-H91 PolarHBondContact O-CD2 3.2Å; Y85-H91 VanDerWaalsContact O-CD2 3.25Å; Y85-H91 PolarHBondContact OH-CE1 3.42Å; Y85-H91 VanDerWaalsContact OH-CE1 3.28Å; Y85-H91 PolarHBondContact OH-ND1 2.91Å; S88-H91 PolarHBondContact O-N 3.35Å; E89-H91 PolarHBondContact O-N 3.46Å; H91-K100 WeakPolarHBondContact O-CD 3.17Å; H91-K100 WeakPolarHBondContact O-CG 3.31Å
92	K	89.5	Confident	88.8	Confident	49 Å²	49	70 Å²	70	21%	0.213	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-79.3	155.1	167.7	-64.5	-176.2	-171.1	170.3	0	111.3	E89 V94	E89-K92 PolarHBondContact O-N 3.35Å; E89-K92 IonicContact OE1-NZ 2.65Å; E89-K92 PolarHBondContact OE1-NZ 3.08Å; E89-K92 VanDerWaalsContact OE2-CD 3.31Å; E89-K92 WeakPolarHBondContact OE2-CD 3.43Å; E89-K92 WeakPolarHBondContact OE2-CE 3.45Å; E89-K92 IonicContact OE2-NZ 3.94Å; E89-K92 PolarHBondContact OE2-NZ 3.24Å; K92-V94 PolarHBondContact O-N 3.01Å
93	C	91.4	Very high	89.1	Confident	8 Å²	8	70.4 Å²	70.4	5%	0.054	35%	0.353	C	S	.	.			trans	-62.3	130.1	171.4	178.6	0	0	0	0	109.9	T95 H96 K97 A98 C112	C93-T95 VanDerWaalsContact C-N 3.3Å; C93-T95 PolarHBondContact O-N 2.98Å; C93-H96 HydrophobicContact CB-CB 4.24Å; C93-H96 PolarHBondContact SG-N 3.25Å; C93-H96 VanDerWaalsContact SG-N 3.41Å; C93-H96 PolarHBondContact SG-ND1 3.17Å; C93-K97 VanDerWaalsContact O-CA 3.23Å; C93-K97 WeakPolarHBondContact O-CA 3.3Å; C93-K97 PolarHBondContact O-N 3.14Å; C93-A98 WeakPolarHBondContact CB-O 3.33Å; C93-A98 PolarHBondContact N-O 3.01Å; C93-C112 HydrophobicContact CB-CB 3.97Å
94	V	89.9	Confident	89.4	Confident	118 Å²	118	67 Å²	67	72%	0.715	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-43.9	-179.3	179.7	0	0	0	0	111	K92 K97	K92-V94 PolarHBondContact O-N 3.01Å; V94-K97 WeakPolarHBondContact O-CE 3.44Å; V94-K97 PolarHBondContact O-NZ 3.13Å
95	T	89.8	Confident	89.3	Confident	114 Å²	114	65.8 Å²	65.8	70%	0.699	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-50.7	-176.3	-43.1	0	0	0	0	112.5	C93	C93-T95 VanDerWaalsContact C-N 3.3Å; C93-T95 PolarHBondContact O-N 2.98Å
96	H	91.3	Very high	89.4	Confident	77 Å²	77	69.4 Å²	69.4	36%	0.356	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-7.4	-169.9	-56.7	117.4	0	0	0	114.2	C93 A98 C112 L114 C115	C93-H96 HydrophobicContact CB-CB 4.24Å; C93-H96 PolarHBondContact SG-N 3.25Å; C93-H96 VanDerWaalsContact SG-N 3.41Å; C93-H96 PolarHBondContact SG-ND1 3.17Å; H96-A98 HydrophobicContact CB-CB 4.39Å; H96-A98 PolarHBondContact O-N 3.43Å; H96-C112 PolarHBondContact ND1-SG 2.86Å; H96-C112 VanDerWaalsContact ND1-SG 3.42Å; H96-L114 HydrophobicContact CB-CD1 4.04Å; H96-L114 VanDerWaalsContact CD2-CD1 3.46Å; H96-L114 WeakPolarHBondContact CD2-CD1 3.3Å; H96-C115 PolarHBondContact ND1-SG 3.07Å
97	K	89.9	Confident	89.5	Confident	144 Å²	144	71.8 Å²	71.8	63%	0.626	37%	0.367	S	S	*	.			trans	54	16.3	-175	-53.1	-55.2	-173.2	-164.1	0	114.7	C93 V94	C93-K97 VanDerWaalsContact O-CA 3.23Å; C93-K97 WeakPolarHBondContact O-CA 3.3Å; C93-K97 PolarHBondContact O-N 3.14Å; V94-K97 WeakPolarHBondContact O-CE 3.44Å; V94-K97 PolarHBondContact O-NZ 3.13Å
98	A	90.8	Very high	89.7	Confident	41 Å²	41	71.3 Å²	71.3	34%	0.339	36%	0.362	S	S	.	.			trans	-93.8	153.7	178.1	0	0	0	0	0	111.6	C93 H96 C112	C93-A98 WeakPolarHBondContact CB-O 3.33Å; C93-A98 PolarHBondContact N-O 3.01Å; H96-A98 HydrophobicContact CB-CB 4.39Å; H96-A98 PolarHBondContact O-N 3.43Å; A98-C112 HydrophobicContact CB-CB 3.96Å
99	K	91.3	Very high	89.8	Confident	88 Å²	88	72.7 Å²	72.7	38%	0.383	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-64.2	143.7	176.3	-58.8	-179.3	-169.6	177.9	0	111	N87 M101 C112	N87-K99 WeakPolarHBondContact OD1-CE 3.46Å; N87-K99 PolarHBondContact OD1-NZ 3.47Å; K99-M101 HydrophobicContact CB-CG 3.99Å; K99-M101 HydrophobicContact CB-SD 4.07Å; K99-M101 PolarHBondContact O-N 3.26Å; K99-C112 WeakPolarHBondContact O-CB 3.41Å
100	K	92.3	Very high	90.3	Very high	63 Å²	63	67.3 Å²	67.3	27%	0.274	34%	0.34	S	S	.	.			trans	-88.3	76.2	179.5	-65.2	173.4	175.9	180	0	111.3	H91 L110 L111	H91-K100 WeakPolarHBondContact O-CD 3.17Å; H91-K100 WeakPolarHBondContact O-CG 3.31Å; K100-L110 HydrophobicContact CB-CB 3.79Å; K100-L110 HydrophobicContact CD-CB 4.46Å; K100-L110 WeakPolarHBondContact CD-O 3.47Å; K100-L111 CarbonylContact C-O 3.51Å; K100-L111 WeakPolarHBondContact CA-O 3.48Å
101	M	92	Very high	90.8	Very high	39 Å²	39	60.2 Å²	60.2	19%	0.192	31%	0.308	C	S	.	.			trans	-90.1	-6.6	-174.3	-59.8	-57.2	-58.3	0	0	114.7	M83 L86 K99 L111 I129	M83-M101 HydrophobicContact CE-CE 4.14Å; M83-M101 HydrophobicContact SD-CE 3.94Å; L86-M101 HydrophobicContact CB-SD 4.33Å; L86-M101 HydrophobicContact CD1-CE 3.84Å; L86-M101 HydrophobicContact CD1-SD 3.58Å; L86-M101 VanDerWaalsContact CD1-SD 3.58Å; L86-M101 HydrophobicContact CG-SD 4.49Å; K99-M101 HydrophobicContact CB-CG 3.99Å; K99-M101 HydrophobicContact CB-SD 4.07Å; K99-M101 PolarHBondContact O-N 3.26Å; M101-L111 PolarHBondContact N-O 3.35Å; M101-L111 VanDerWaalsContact N-O 3.12Å; M101-I129 HydrophobicContact CE-CG2 3.91Å; M101-I129 PolarHBondContact O-N 2.87Å
102	I	93.4	Very high	91.3	Very high	18 Å²	18	58.2 Å²	58.2	9%	0.092	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132	-176	-59.1	-58.3	0	0	0	109.4	L110 L111 H126 C127	I102-L110 CarbonylContact O-C 3.59Å; I102-L110 WeakPolarHBondContact O-CA 3.28Å; I102-L111 HydrophobicContact CB-CB 4.33Å; I102-L111 WeakPolarHBondContact CB-O 3.45Å; I102-L111 PolarHBondContact N-O 2.91Å; I102-L111 PolarHBondContact O-N 2.87Å; I102-H126 HydrophobicContact CG2-CB 3.74Å; I102-C127 CarbonylContact C-O 3.57Å; I102-C127 WeakPolarHBondContact CA-O 3.33Å
103	F	94.8	Very high	91.4	Very high	10 Å²	10	61.5 Å²	61.5	4%	0.044	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	132.5	173.6	179	-108.5	0	0	0	110.2	D105 K108 L110 H126 C127 A132 L244	F103-D105 HydrophobicContact CE1-CB 4.19Å; F103-K108 HydrophobicContact CZ-CD 3.91Å; F103-L110 HydrophobicContact CB-CD2 4.12Å; F103-L110 HydrophobicContact CD2-CD2 4.01Å; F103-H126 WeakPolarHBondContact O-CA 3.47Å; F103-C127 PolarHBondContact N-O 2.69Å; F103-C127 PolarHBondContact O-N 2.68Å; F103-A132 HydrophobicContact CB-CB 3.81Å; F103-A132 HydrophobicContact CD1-CB 3.64Å; F103-A132 HydrophobicContact CE1-CB 4.42Å; F103-A132 HydrophobicContact CG-CB 3.86Å; F103-L244 HydrophobicContact CD2-CB 4.23Å; F103-L244 HydrophobicContact CD2-CD1 4.14Å; F103-L244 HydrophobicContact CE2-CB 3.85Å; F103-L244 HydrophobicContact CG-CD1 4.38Å; F103-L244 HydrophobicContact CZ-CB 4.32Å; F103-L244 WeakPolarHBondContact CZ-O 3.04Å
104	C	93.9	Very high	91.5	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	110.6	174.1	169	0	0	0	0	110.3	K106 S107 K108 I109 L111 H121 H124	C104-K106 PolarHBondContact O-N 2.94Å; C104-S107 PolarHBondContact O-N 2.85Å; C104-K108 WeakPolarHBondContact O-CA 3.43Å; C104-K108 PolarHBondContact O-N 3.16Å; C104-I109 PolarHBondContact N-O 3.36Å; C104-L111 HydrophobicContact CB-CD1 3.72Å; C104-L111 HydrophobicContact CB-CG 4.27Å; C104-H121 PolarHBondContact SG-ND1 3.48Å; C104-H121 VanDerWaalsContact SG-ND1 3.44Å; C104-H124 PolarHBondContact SG-ND1 3.22Å
105	D	87.9	Confident	91.7	Very high	78 Å²	78	61.8 Å²	61.8	42%	0.417	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-37.6	-170.3	-176.9	53.7	0	0	0	113.4	F103 K108 T125	F103-D105 HydrophobicContact CE1-CB 4.19Å; D105-K108 WeakPolarHBondContact O-CD 3.41Å; D105-K108 WeakPolarHBondContact O-CE 3.45Å; D105-K108 PolarHBondContact O-NZ 3.43Å; D105-K108 VanDerWaalsContact O-NZ 3.07Å; D105-K108 IonicContact OD1-NZ 2.95Å; D105-K108 PolarHBondContact OD1-NZ 3.37Å; D105-K108 IonicContact OD2-NZ 3.94Å; D105-T125 PolarHBondContact N-O 2.87Å; D105-T125 VanDerWaalsContact N-O 3.15Å
106	K	89.5	Confident	91.8	Very high	152 Å²	152	57.1 Å²	57.1	66%	0.661	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-41.2	-179.2	-170.2	-172.2	173	-170.6	0	112.9	C104 H124	C104-K106 PolarHBondContact O-N 2.94Å; K106-H124 HydrophobicContact CB-CB 4.41Å; K106-H124 WeakPolarHBondContact CD-CD2 3.39Å; K106-H124 VanDerWaalsContact CD-NE2 3.29Å; K106-H124 WeakPolarHBondContact CD-NE2 3.3Å; K106-H124 PolarHBondContact NZ-NE2 3.08Å
107	S	89.6	Confident	91.8	Very high	51 Å²	51	59.4 Å²	59.4	36%	0.357	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-10.1	-177.1	-55.4	0	0	0	0	113.4	C104 I109	C104-S107 PolarHBondContact O-N 2.85Å; S107-I109 VanDerWaalsContact C-N 3.28Å; S107-I109 PolarHBondContact O-N 3.13Å
108	K	89.9	Confident	91.9	Very high	61 Å²	61	54.3 Å²	54.3	27%	0.265	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	39.5	-177.3	-53.3	-64.5	177.7	-168.7	0	113.9	F103 C104 D105	F103-K108 HydrophobicContact CZ-CD 3.91Å; C104-K108 WeakPolarHBondContact O-CA 3.43Å; C104-K108 PolarHBondContact O-N 3.16Å; D105-K108 WeakPolarHBondContact O-CD 3.41Å; D105-K108 WeakPolarHBondContact O-CE 3.45Å; D105-K108 PolarHBondContact O-NZ 3.43Å; D105-K108 VanDerWaalsContact O-NZ 3.07Å; D105-K108 IonicContact OD1-NZ 2.95Å; D105-K108 PolarHBondContact OD1-NZ 3.37Å; D105-K108 IonicContact OD2-NZ 3.94Å
109	I	90.9	Very high	91.9	Very high	75 Å²	75	61 Å²	61	39%	0.385	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	159.3	179.4	61.5	173.3	0	0	0	112.4	C104 S107 L111	C104-I109 PolarHBondContact N-O 3.36Å; S107-I109 VanDerWaalsContact C-N 3.28Å; S107-I109 PolarHBondContact O-N 3.13Å; I109-L111 HydrophobicContact CD1-CD2 3.74Å; I109-L111 HydrophobicContact CG1-CD2 4.06Å; I109-L111 HydrophobicContact CG1-CG 4.48Å
110	L	91.9	Very high	91.8	Very high	24 Å²	24	64.2 Å²	64.2	13%	0.126	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	134	172.2	-60.8	175	0	0	0	111.1	L86 K100 I102 F103 I129	L86-L110 HydrophobicContact CD2-CD1 4.01Å; K100-L110 HydrophobicContact CB-CB 3.79Å; K100-L110 HydrophobicContact CD-CB 4.46Å; K100-L110 WeakPolarHBondContact CD-O 3.47Å; I102-L110 CarbonylContact O-C 3.59Å; I102-L110 WeakPolarHBondContact O-CA 3.28Å; F103-L110 HydrophobicContact CB-CD2 4.12Å; F103-L110 HydrophobicContact CD2-CD2 4.01Å; L110-I129 HydrophobicContact CD1-CD1 3.75Å; L110-I129 HydrophobicContact CD2-CB 4.4Å; L110-I129 HydrophobicContact CD2-CD1 3.58Å; L110-I129 HydrophobicContact CD2-CG1 3.9Å; L110-I129 HydrophobicContact CG-CD1 4.34Å
111	L	93.4	Very high	91.7	Very high	12 Å²	12	61.5 Å²	61.5	6%	0.063	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	151.4	-177.7	-58.1	179	0	0	0	110.1	K100 M101 I102 C104 I109 C115 H121	K100-L111 CarbonylContact C-O 3.51Å; K100-L111 WeakPolarHBondContact CA-O 3.48Å; M101-L111 PolarHBondContact N-O 3.35Å; M101-L111 VanDerWaalsContact N-O 3.12Å; I102-L111 HydrophobicContact CB-CB 4.33Å; I102-L111 WeakPolarHBondContact CB-O 3.45Å; I102-L111 PolarHBondContact N-O 2.91Å; I102-L111 PolarHBondContact O-N 2.87Å; C104-L111 HydrophobicContact CB-CD1 3.72Å; C104-L111 HydrophobicContact CB-CG 4.27Å; I109-L111 HydrophobicContact CD1-CD2 3.74Å; I109-L111 HydrophobicContact CG1-CD2 4.06Å; I109-L111 HydrophobicContact CG1-CG 4.48Å; L111-C115 HydrophobicContact CB-CB 4.17Å; L111-C115 HydrophobicContact CD2-CB 4.15Å; L111-H121 HydrophobicContact CD1-CB 4.33Å
112	C	94.1	Very high	91.4	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.007	33%	0.333	C	S	.	.			trans	-81.2	164.4	160.1	76.6	0	0	0	0	109.8	C93 H96 A98 K99 L114 C115 S116	C93-C112 HydrophobicContact CB-CB 3.97Å; H96-C112 PolarHBondContact ND1-SG 2.86Å; H96-C112 VanDerWaalsContact ND1-SG 3.42Å; A98-C112 HydrophobicContact CB-CB 3.96Å; K99-C112 WeakPolarHBondContact O-CB 3.41Å; C112-L114 VanDerWaalsContact C-N 3.28Å; C112-L114 PolarHBondContact O-N 3.42Å; C112-C115 PolarHBondContact O-N 2.81Å; C112-S116 PolarHBondContact O-N 3.42Å
113	H	91.3	Very high	91.1	Very high	118 Å²	118	66.7 Å²	66.7	55%	0.546	36%	0.364	S	S	.	.	H	α-helix	trans	-52.1	-44.2	-179.2	-69.3	-75	0	0	0	113.1	C115 S116 D117	H113-C115 VanDerWaalsContact C-N 3.35Å; H113-C115 PolarHBondContact O-N 3.47Å; H113-S116 WeakPolarHBondContact O-CB 3.44Å; H113-S116 PolarHBondContact O-N 2.89Å; H113-D117 PolarHBondContact O-N 3.42Å
114	L	93.1	Very high	91.1	Very high	105 Å²	105	68.1 Å²	68.1	55%	0.55	37%	0.37	S	S	.	.	H	α-helix	trans	-67.6	-31.4	179.9	-63.3	173.8	0	0	0	113.5	H96 C112	H96-L114 HydrophobicContact CB-CD1 4.04Å; H96-L114 VanDerWaalsContact CD2-CD1 3.46Å; H96-L114 WeakPolarHBondContact CD2-CD1 3.3Å; C112-L114 VanDerWaalsContact C-N 3.28Å; C112-L114 PolarHBondContact O-N 3.42Å
115	C	93.6	Very high	91.1	Very high	27 Å²	27	73.2 Å²	73.2	18%	0.182	40%	0.402	C	S	.	.	H	α-helix	trans	-75.9	-31.5	175.8	-67.6	0	0	0	0	112.1	H96 L111 C112 H113 D117 S118	H96-C115 PolarHBondContact ND1-SG 3.07Å; L111-C115 HydrophobicContact CB-CB 4.17Å; L111-C115 HydrophobicContact CD2-CB 4.15Å; C112-C115 PolarHBondContact O-N 2.81Å; H113-C115 VanDerWaalsContact C-N 3.35Å; H113-C115 PolarHBondContact O-N 3.47Å; C115-D117 VanDerWaalsContact C-N 3.26Å; C115-D117 PolarHBondContact O-N 3.18Å; C115-S118 VanDerWaalsContact O-CB 3.29Å; C115-S118 WeakPolarHBondContact O-CB 3.42Å; C115-S118 PolarHBondContact O-N 3.16Å; C115-S118 PolarHBondContact O-OG 3.1Å
116	S	92.9	Very high	91.4	Very high	15 Å²	15	72 Å²	72	11%	0.105	39%	0.394	C	S	.	.	H	α-helix	trans	-59.5	-38.9	173.3	160.2	0	0	0	0	111.4	C112 H113 S118 H126	C112-S116 PolarHBondContact O-N 3.42Å; H113-S116 WeakPolarHBondContact O-CB 3.44Å; H113-S116 PolarHBondContact O-N 2.89Å; S116-S118 VanDerWaalsContact C-N 3.26Å; S116-S118 PolarHBondContact O-N 2.98Å; S116-H126 PolarHBondContact O-CE1 3.39Å; S116-H126 PolarHBondContact OG-ND1 3.28Å
117	D	91.2	Very high	91.6	Very high	126 Å²	126	66.4 Å²	66.4	67%	0.674	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	2.1	-178.1	-57.1	-21.5	0	0	0	113.2	H113 C115	H113-D117 PolarHBondContact O-N 3.42Å; C115-D117 VanDerWaalsContact C-N 3.26Å; C115-D117 PolarHBondContact O-N 3.18Å
118	S	91.8	Very high	91.8	Very high	37 Å²	37	66.2 Å²	66.2	26%	0.259	37%	0.372	S	S	.	.	S	Bend	trans	-69.3	156.1	179.4	72.9	0	0	0	0	111.9	C115 S116 E120 H121 S122	C115-S118 VanDerWaalsContact O-CB 3.29Å; C115-S118 WeakPolarHBondContact O-CB 3.42Å; C115-S118 PolarHBondContact O-N 3.16Å; C115-S118 PolarHBondContact O-OG 3.1Å; S116-S118 VanDerWaalsContact C-N 3.26Å; S116-S118 PolarHBondContact O-N 2.98Å; S118-E120 PolarHBondContact O-N 3.14Å; S118-H121 CarbonylContact O-C 3.56Å; S118-H121 PolarHBondContact O-N 3.47Å; S118-S122 PolarHBondContact O-N 3.14Å
119	Q	90.6	Very high	91.9	Very high	181 Å²	181	63.3 Å²	63.3	85%	0.846	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-33.9	179.3	-168	172.4	7.3	0	0	112.7	H121 S122	Q119-H121 PolarHBondContact O-N 3.48Å; Q119-S122 PolarHBondContact O-N 2.97Å; Q119-S122 PolarHBondContact O-OG 3.25Å
120	E	90	Very high	91.8	Very high	155 Å²	155	62.4 Å²	62.4	72%	0.724	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-33.6	176.8	-174.4	177.7	-178.8	0	0	112.6	S118	S118-E120 PolarHBondContact O-N 3.14Å
121	H	90.7	Very high	91.7	Very high	7 Å²	7	64.1 Å²	64.1	3%	0.032	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-1.1	-175.6	-74.3	-81.8	0	0	0	114.1	C104 L111 S118 Q119 G123 H124 H126	C104-H121 PolarHBondContact SG-ND1 3.48Å; C104-H121 VanDerWaalsContact SG-ND1 3.44Å; L111-H121 HydrophobicContact CD1-CB 4.33Å; S118-H121 CarbonylContact O-C 3.56Å; S118-H121 PolarHBondContact O-N 3.47Å; Q119-H121 PolarHBondContact O-N 3.48Å; H121-G123 PolarHBondContact O-N 3.37Å; H121-H124 AromaticContact ND1-ND1 3.44Å; H121-H124 PolarHBondContact ND1-ND1 3.43Å; H121-H124 PolarHBondContact O-N 3.02Å; H121-H126 AromaticContact ND1-NE2 3.99Å; H121-H126 PolarHBondContact O-CE1 2.65Å; H121-H126 VanDerWaalsContact O-CE1 3.28Å
122	S	85.8	Confident	91.7	Very high	94 Å²	94	63.7 Å²	63.7	66%	0.657	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-20.8	-174.8	61.9	0	0	0	0	115.7	S118 Q119	S118-S122 PolarHBondContact O-N 3.14Å; Q119-S122 PolarHBondContact O-N 2.97Å; Q119-S122 PolarHBondContact O-OG 3.25Å
123	G	87	Confident	91.5	Very high	72 Å²	72	64 Å²	64	74%	0.742	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	10.8	177	0	0	0	0	0	115	H121	H121-G123 PolarHBondContact O-N 3.37Å
124	H	94.1	Very high	91.3	Very high	39 Å²	39	63.3 Å²	63.3	18%	0.181	36%	0.364	C	S	.	.	S	Bend	trans	-102.8	153.3	-178.3	-61.5	176.6	0	0	0	111.1	C104 K106 H121	C104-H124 PolarHBondContact SG-ND1 3.22Å; K106-H124 HydrophobicContact CB-CB 4.41Å; K106-H124 WeakPolarHBondContact CD-CD2 3.39Å; K106-H124 VanDerWaalsContact CD-NE2 3.29Å; K106-H124 WeakPolarHBondContact CD-NE2 3.3Å; K106-H124 PolarHBondContact NZ-NE2 3.08Å; H121-H124 AromaticContact ND1-ND1 3.44Å; H121-H124 PolarHBondContact ND1-ND1 3.43Å; H121-H124 PolarHBondContact O-N 3.02Å
125	T	93.2	Very high	91.2	Very high	108 Å²	108	63.7 Å²	63.7	66%	0.663	36%	0.363	S	S	*	.			trans	-80.5	127.4	174	-49.4	0	0	0	0	109.9	D105	D105-T125 PolarHBondContact N-O 2.87Å; D105-T125 VanDerWaalsContact N-O 3.15Å
126	H	94.8	Very high	91	Very high	52 Å²	52	63.8 Å²	63.8	24%	0.241	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	147.2	179.1	-57	151.2	0	0	0	111.4	I102 F103 S116 H121	I102-H126 HydrophobicContact CG2-CB 3.74Å; F103-H126 WeakPolarHBondContact O-CA 3.47Å; S116-H126 PolarHBondContact O-CE1 3.39Å; S116-H126 PolarHBondContact OG-ND1 3.28Å; H121-H126 AromaticContact ND1-NE2 3.99Å; H121-H126 PolarHBondContact O-CE1 2.65Å; H121-H126 VanDerWaalsContact O-CE1 3.28Å
127	C	94.2	Very high	90.7	Very high	34 Å²	34	63.8 Å²	63.8	23%	0.23	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	169.3	169	59.3	0	0	0	0	110	I102 F103 V131	I102-C127 CarbonylContact C-O 3.57Å; I102-C127 WeakPolarHBondContact CA-O 3.33Å; F103-C127 PolarHBondContact N-O 2.69Å; F103-C127 PolarHBondContact O-N 2.68Å; C127-V131 HydrophobicContact CB-CB 4.29Å; C127-V131 HydrophobicContact CB-CG1 4.12Å
128	S	93.6	Very high	90.6	Very high	48 Å²	48	63.1 Å²	63.1	34%	0.336	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	152	171.6	69.1	0	0	0	0	110	D130 V131 A132	S128-D130 PolarHBondContact O-N 3.08Å; S128-V131 PolarHBondContact O-N 3.23Å; S128-V131 VanDerWaalsContact O-N 3.1Å; S128-V131 VanDerWaalsContact OG-CG2 3.31Å; S128-V131 WeakPolarHBondContact OG-CG2 3.26Å; S128-V131 PolarHBondContact OG-N 3.4Å; S128-A132 PolarHBondContact O-N 2.92Å
129	I	91.3	Very high	90.5	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-58.2	-35.5	177.6	-164.7	173.2	0	0	0	112.3	L82 L86 M101 L110 V131 A132 V133 L244	L82-I129 HydrophobicContact CD1-CD1 3.81Å; L82-I129 HydrophobicContact CD2-CD1 4.02Å; L82-I129 HydrophobicContact CD2-CG1 4.16Å; L82-I129 HydrophobicContact CD2-CG2 4.36Å; L82-I129 HydrophobicContact CG-CD1 4.28Å; L86-I129 HydrophobicContact CD1-CD1 3.94Å; L86-I129 HydrophobicContact CD1-CG2 4.04Å; L86-I129 HydrophobicContact CD2-CD1 4.1Å; M101-I129 HydrophobicContact CE-CG2 3.91Å; M101-I129 PolarHBondContact O-N 2.87Å; L110-I129 HydrophobicContact CD1-CD1 3.75Å; L110-I129 HydrophobicContact CD2-CB 4.4Å; L110-I129 HydrophobicContact CD2-CD1 3.58Å; L110-I129 HydrophobicContact CD2-CG1 3.9Å; L110-I129 HydrophobicContact CG-CD1 4.34Å; I129-V131 PolarHBondContact O-N 3.41Å; I129-A132 PolarHBondContact O-N 2.85Å; I129-V133 HydrophobicContact CG1-CG2 4.27Å; I129-V133 WeakPolarHBondContact O-CB 3.33Å; I129-V133 VanDerWaalsContact O-CG2 3.24Å; I129-V133 WeakPolarHBondContact O-CG2 3.24Å; I129-V133 PolarHBondContact O-N 3.13Å; I129-L244 HydrophobicContact CD1-CD1 4.43Å; I129-L244 HydrophobicContact CG1-CD1 3.73Å
130	D	88.4	Confident	90.5	Very high	56 Å²	56	55.8 Å²	55.8	30%	0.299	31%	0.313	S	S	.	.	H	α-helix	trans	-58.4	-45.6	174.7	-81.2	-71.9	0	0	0	112.5	K79 S128 Q134	K79-D130 WeakPolarHBondContact CE-OD1 3.34Å; K79-D130 IonicContact NZ-OD1 3.71Å; K79-D130 PolarHBondContact NZ-OD1 2.85Å; S128-D130 PolarHBondContact O-N 3.08Å; D130-Q134 WeakPolarHBondContact O-CB 3.47Å; D130-Q134 PolarHBondContact O-N 3.42Å; D130-Q134 VanDerWaalsContact O-N 3.09Å
131	V	91.6	Very high	90.3	Very high	59 Å²	59	51.1 Å²	51.1	36%	0.358	29%	0.292	S	S	.	.	H	α-helix	trans	-66.9	-48.1	179.2	171.6	0	0	0	0	109.8	C127 S128 I129 V133 Q134 E135	C127-V131 HydrophobicContact CB-CB 4.29Å; C127-V131 HydrophobicContact CB-CG1 4.12Å; S128-V131 PolarHBondContact O-N 3.23Å; S128-V131 VanDerWaalsContact O-N 3.1Å; S128-V131 VanDerWaalsContact OG-CG2 3.31Å; S128-V131 WeakPolarHBondContact OG-CG2 3.26Å; S128-V131 PolarHBondContact OG-N 3.4Å; I129-V131 PolarHBondContact O-N 3.41Å; V131-V133 VanDerWaalsContact C-N 3.35Å; V131-V133 PolarHBondContact O-N 3.48Å; V131-Q134 PolarHBondContact O-N 3.18Å; V131-E135 HydrophobicContact CG1-CG 4.29Å; V131-E135 WeakPolarHBondContact O-CG 3.37Å; V131-E135 PolarHBondContact O-N 3.33Å
132	A	92.3	Very high	90.2	Very high	4 Å²	4	58.2 Å²	58.2	3%	0.033	32%	0.323	C	S	.	.	H	α-helix	trans	-56.5	-47.1	178.8	0	0	0	0	0	112.3	F103 S128 I129 K136 L244	F103-A132 HydrophobicContact CB-CB 3.81Å; F103-A132 HydrophobicContact CD1-CB 3.64Å; F103-A132 HydrophobicContact CE1-CB 4.42Å; F103-A132 HydrophobicContact CG-CB 3.86Å; S128-A132 PolarHBondContact O-N 2.92Å; I129-A132 PolarHBondContact O-N 2.85Å; A132-K136 WeakPolarHBondContact O-CB 3.39Å; A132-K136 PolarHBondContact O-N 3.25Å; A132-L244 HydrophobicContact CB-CD1 3.83Å; A132-L244 HydrophobicContact CB-CD2 3.81Å; A132-L244 HydrophobicContact CB-CG 4.49Å; A132-L244 WeakPolarHBondContact O-CD2 3.48Å
133	V	89.9	Confident	90.5	Very high	6 Å²	6	54.3 Å²	54.3	4%	0.036	30%	0.295	C	S	.	.	H	α-helix	trans	-62.6	-45.2	179.2	168.1	0	0	0	0	110.8	L82 I129 V131 K136 M137 Y240 L244	L82-V133 HydrophobicContact CD2-CG2 4.18Å; I129-V133 HydrophobicContact CG1-CG2 4.27Å; I129-V133 WeakPolarHBondContact O-CB 3.33Å; I129-V133 VanDerWaalsContact O-CG2 3.24Å; I129-V133 WeakPolarHBondContact O-CG2 3.24Å; I129-V133 PolarHBondContact O-N 3.13Å; V131-V133 VanDerWaalsContact C-N 3.35Å; V131-V133 PolarHBondContact O-N 3.48Å; V133-K136 PolarHBondContact O-N 3.33Å; V133-M137 HydrophobicContact CG1-CG 4.28Å; V133-M137 VanDerWaalsContact O-CB 3.3Å; V133-M137 WeakPolarHBondContact O-CB 3.17Å; V133-M137 VanDerWaalsContact O-CG 3.29Å; V133-M137 WeakPolarHBondContact O-CG 3.27Å; V133-M137 PolarHBondContact O-N 3.19Å; V133-Y240 HydrophobicContact CB-CG 4.43Å; V133-Y240 HydrophobicContact CG1-CD1 3.45Å; V133-Y240 VanDerWaalsContact CG1-CD1 3.45Å; V133-Y240 HydrophobicContact CG1-CD2 3.52Å; V133-Y240 HydrophobicContact CG1-CE1 3.62Å; V133-Y240 HydrophobicContact CG1-CE2 3.7Å; V133-Y240 HydrophobicContact CG1-CG 3.36Å; V133-Y240 HydrophobicContact CG2-CD2 4.42Å; V133-Y240 HydrophobicContact CG2-CG 4.14Å; V133-L244 HydrophobicContact CG2-CD1 3.65Å; V133-L244 HydrophobicContact CG2-CD2 4.36Å; V133-L244 HydrophobicContact CG2-CG 3.98Å
134	Q	88.1	Confident	90.5	Very high	105 Å²	105	51.4 Å²	51.4	49%	0.491	26%	0.262	S	S	.	.	H	α-helix	trans	-62.2	-50.2	-179	-179.7	175.3	-16.6	0	0	110.7	D130 V131 K136 M137 E138	D130-Q134 WeakPolarHBondContact O-CB 3.47Å; D130-Q134 PolarHBondContact O-N 3.42Å; D130-Q134 VanDerWaalsContact O-N 3.09Å; V131-Q134 PolarHBondContact O-N 3.18Å; Q134-K136 VanDerWaalsContact C-N 3.31Å; Q134-K136 PolarHBondContact O-N 3.37Å; Q134-M137 PolarHBondContact O-N 2.83Å; Q134-E138 HydrophobicContact CG-CG 4.4Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.43Å; Q134-E138 PolarHBondContact NE2-OE1 3.19Å; Q134-E138 WeakPolarHBondContact O-CB 3.05Å; Q134-E138 WeakPolarHBondContact O-CG 3.3Å; Q134-E138 PolarHBondContact O-N 3.24Å
135	E	90.8	Very high	90	Very high	113 Å²	113	52.2 Å²	52.2	53%	0.528	27%	0.267	S	S	.	.	H	α-helix	trans	-57.2	-45.3	177.6	-71.8	176.1	162.7	0	0	111.3	V131 M137 E138 E139	V131-E135 HydrophobicContact CG1-CG 4.29Å; V131-E135 WeakPolarHBondContact O-CG 3.37Å; V131-E135 PolarHBondContact O-N 3.33Å; E135-M137 PolarHBondContact O-N 3.31Å; E135-E138 PolarHBondContact O-N 2.61Å; E135-E139 PolarHBondContact O-N 3.43Å
136	K	89.4	Confident	89.7	Confident	28 Å²	28	49.2 Å²	49.2	12%	0.122	25%	0.251	C	S	.	.	H	α-helix	trans	-67.3	-37.8	-179.9	-161	70.4	178.8	-178.6	0	112.6	A132 V133 Q134 L140 L243 L244 F252	A132-K136 WeakPolarHBondContact O-CB 3.39Å; A132-K136 PolarHBondContact O-N 3.25Å; V133-K136 PolarHBondContact O-N 3.33Å; Q134-K136 VanDerWaalsContact C-N 3.31Å; Q134-K136 PolarHBondContact O-N 3.37Å; K136-L140 WeakPolarHBondContact O-CB 3.45Å; K136-L140 PolarHBondContact O-N 2.89Å; K136-L243 HydrophobicContact CB-CD2 3.89Å; K136-L243 HydrophobicContact CG-CD2 3.68Å; K136-L243 HydrophobicContact CG-CG 3.96Å; K136-L244 HydrophobicContact CB-CD2 4.04Å; K136-L244 HydrophobicContact CG-CD2 4.46Å; K136-F252 HydrophobicContact CD-CE2 4.27Å
137	M	86.5	Confident	89.4	Confident	15 Å²	15	46.7 Å²	46.7	7%	0.074	24%	0.239	C	C	.	.	H	α-helix	trans	-69	-41	175.5	-78.9	-81	157.9	0	0	112	M24 V133 Q134 E135 L140 L141 Y240 L243	M24-M137 HydrophobicContact CE-SD 3.79Å; V133-M137 HydrophobicContact CG1-CG 4.28Å; V133-M137 VanDerWaalsContact O-CB 3.3Å; V133-M137 WeakPolarHBondContact O-CB 3.17Å; V133-M137 VanDerWaalsContact O-CG 3.29Å; V133-M137 WeakPolarHBondContact O-CG 3.27Å; V133-M137 PolarHBondContact O-N 3.19Å; Q134-M137 PolarHBondContact O-N 2.83Å; E135-M137 PolarHBondContact O-N 3.31Å; M137-L140 PolarHBondContact O-N 3.37Å; M137-L141 WeakPolarHBondContact O-CB 3.49Å; M137-L141 VanDerWaalsContact O-CG 3.28Å; M137-L141 WeakPolarHBondContact O-CG 3.45Å; M137-L141 PolarHBondContact O-N 3.47Å; M137-Y240 HydrophobicContact CE-CD1 3.82Å; M137-Y240 HydrophobicContact CE-CE1 3.74Å; M137-Y240 HydrophobicContact CG-CE1 4Å; M137-Y240 HydrophobicContact SD-CE1 4.11Å; M137-L243 HydrophobicContact CE-CD1 4.14Å; M137-L243 HydrophobicContact CE-CD2 3.31Å; M137-L243 HydrophobicContact CE-CG 4.18Å; M137-L243 HydrophobicContact CG-CD2 3.94Å; M137-L243 HydrophobicContact SD-CD2 4.23Å
138	E	88.1	Confident	88.7	Confident	112 Å²	112	47.6 Å²	47.6	52%	0.523	24%	0.238	S	C	.	.	H	α-helix	trans	-62.4	-42.5	174.3	-75.3	177.2	-168.8	0	0	111.3	Q134 E135 K142	Q134-E138 HydrophobicContact CG-CG 4.4Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.43Å; Q134-E138 PolarHBondContact NE2-OE1 3.19Å; Q134-E138 WeakPolarHBondContact O-CB 3.05Å; Q134-E138 WeakPolarHBondContact O-CG 3.3Å; Q134-E138 PolarHBondContact O-N 3.24Å; E135-E138 PolarHBondContact O-N 2.61Å; E138-K142 VanDerWaalsContact O-CB 3.31Å; E138-K142 WeakPolarHBondContact O-CB 3.48Å; E138-K142 PolarHBondContact O-N 3.27Å
139	E	91	Very high	88.2	Confident	65 Å²	65	51.8 Å²	51.8	30%	0.304	25%	0.246	S	C	.	.	H	α-helix	trans	-61.2	-48.6	173.9	-172.6	172.7	-159.2	0	0	111.2	E135 L141 K142 H143 F252 K256	E135-E139 PolarHBondContact O-N 3.43Å; E139-L141 PolarHBondContact O-N 2.7Å; E139-K142 WeakPolarHBondContact O-CB 3.47Å; E139-K142 PolarHBondContact O-N 3.14Å; E139-H143 PolarHBondContact O-CD2 3.39Å; E139-H143 VanDerWaalsContact O-CD2 3.24Å; E139-H143 PolarHBondContact O-N 3.44Å; E139-F252 HydrophobicContact CB-CE2 4.44Å; E139-F252 VanDerWaalsContact CD-CE2 3.42Å; E139-F252 HydrophobicContact CG-CD2 4.18Å; E139-F252 HydrophobicContact CG-CE2 3.8Å; E139-F252 HydrophobicContact CG-CZ 4.19Å; E139-F252 VanDerWaalsContact OE2-CE2 3.26Å; E139-F252 WeakPolarHBondContact OE2-CE2 3.49Å; E139-K256 IonicContact OE1-NZ 2.83Å
140	L	89.8	Confident	87.7	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-58.7	-47.3	179.1	-170.4	151.6	0	0	0	111.8	K136 M137 K142 H143 M144 L232 M235 L243 F252	K136-L140 WeakPolarHBondContact O-CB 3.45Å; K136-L140 PolarHBondContact O-N 2.89Å; M137-L140 PolarHBondContact O-N 3.37Å; L140-K142 VanDerWaalsContact C-N 3.35Å; L140-K142 PolarHBondContact O-N 3.04Å; L140-H143 WeakPolarHBondContact O-CB 3.37Å; L140-H143 PolarHBondContact O-N 3.04Å; L140-M144 HydrophobicContact CD2-CG 4.06Å; L140-M144 HydrophobicContact CD2-SD 3.44Å; L140-M144 WeakPolarHBondContact CD2-SD 3.46Å; L140-M144 WeakPolarHBondContact O-CG 3.42Å; L140-M144 PolarHBondContact O-N 3.14Å; L140-L232 HydrophobicContact CG-CD2 4.3Å; L140-M235 HydrophobicContact CD1-CB 3.9Å; L140-L243 HydrophobicContact CD1-CD1 3.86Å; L140-F252 HydrophobicContact CB-CE1 4.46Å; L140-F252 HydrophobicContact CB-CZ 4.39Å
141	L	85.6	Confident	87.4	Confident	56 Å²	56	51 Å²	51	29%	0.293	24%	0.24	S	C	.	.	H	α-helix	trans	-63	-40	177.7	-71.7	172.9	0	0	0	111.8	M24 M137 E139 H143 M144 D145	M24-L141 HydrophobicContact CE-CD2 4.06Å; M137-L141 WeakPolarHBondContact O-CB 3.49Å; M137-L141 VanDerWaalsContact O-CG 3.28Å; M137-L141 WeakPolarHBondContact O-CG 3.45Å; M137-L141 PolarHBondContact O-N 3.47Å; E139-L141 PolarHBondContact O-N 2.7Å; L141-H143 VanDerWaalsContact C-N 3.31Å; L141-H143 PolarHBondContact O-N 2.67Å; L141-M144 PolarHBondContact O-N 2.76Å; L141-D145 WeakPolarHBondContact O-CB 3.45Å; L141-D145 PolarHBondContact O-N 2.89Å
142	K	89.3	Confident	86.7	Confident	156 Å²	156	52.1 Å²	52.1	68%	0.678	24%	0.241	S	C	*	.	H	α-helix	trans	-60.8	-40.8	175.9	-177.7	-179.8	-179.6	178.6	0	112.1	E138 E139 L140 S146	E138-K142 VanDerWaalsContact O-CB 3.31Å; E138-K142 WeakPolarHBondContact O-CB 3.48Å; E138-K142 PolarHBondContact O-N 3.27Å; E139-K142 WeakPolarHBondContact O-CB 3.47Å; E139-K142 PolarHBondContact O-N 3.14Å; L140-K142 VanDerWaalsContact C-N 3.35Å; L140-K142 PolarHBondContact O-N 3.04Å; K142-S146 WeakPolarHBondContact O-CB 3.42Å; K142-S146 PolarHBondContact O-N 3.36Å; K142-S146 VanDerWaalsContact O-N 3.13Å
143	H	91.2	Very high	86	Confident	13 Å²	13	55.6 Å²	55.6	6%	0.06	26%	0.258	C	S	.	.	H	α-helix	trans	-64.8	-45.4	174.6	-87.1	-96.8	0	0	0	111.8	E139 L140 L141 S146 L147 L232 F252 S255 K256	E139-H143 PolarHBondContact O-CD2 3.39Å; E139-H143 VanDerWaalsContact O-CD2 3.24Å; E139-H143 PolarHBondContact O-N 3.44Å; L140-H143 WeakPolarHBondContact O-CB 3.37Å; L140-H143 PolarHBondContact O-N 3.04Å; L141-H143 VanDerWaalsContact C-N 3.31Å; L141-H143 PolarHBondContact O-N 2.67Å; H143-S146 PolarHBondContact O-N 2.98Å; H143-L147 WeakPolarHBondContact O-CG 3.36Å; H143-L147 PolarHBondContact O-N 3.43Å; H143-L147 VanDerWaalsContact O-N 3.13Å; H143-L232 HydrophobicContact CB-CD1 4.13Å; H143-L232 HydrophobicContact CB-CD2 4.4Å; H143-F252 PolarHBondContact CE1-O 3.36Å; H143-S255 VanDerWaalsContact ND1-CB 3.33Å; H143-S255 WeakPolarHBondContact ND1-CB 3.47Å; H143-S255 PolarHBondContact ND1-OG 2.81Å; H143-K256 VanDerWaalsContact CE1-CE 3.44Å; H143-K256 WeakPolarHBondContact CE1-CE 3.31Å; H143-K256 VanDerWaalsContact NE2-CE 3.29Å; H143-K256 WeakPolarHBondContact NE2-CE 3.22Å; H143-K256 PolarHBondContact NE2-NZ 2.82Å
144	M	87.5	Confident	85.3	Confident	10 Å²	10	55.3 Å²	55.3	5%	0.049	26%	0.256	C	S	.	.	H	α-helix	trans	-60.2	-48.7	175.9	-70.5	-176.3	74	0	0	111.9	A38 L140 L141 S146 L147 W148 Y229 L232 M233	A38-M144 HydrophobicContact CB-CE 3.83Å; L140-M144 HydrophobicContact CD2-CG 4.06Å; L140-M144 HydrophobicContact CD2-SD 3.44Å; L140-M144 WeakPolarHBondContact CD2-SD 3.46Å; L140-M144 WeakPolarHBondContact O-CG 3.42Å; L140-M144 PolarHBondContact O-N 3.14Å; L141-M144 PolarHBondContact O-N 2.76Å; M144-S146 VanDerWaalsContact C-N 3.3Å; M144-S146 PolarHBondContact O-N 2.78Å; M144-L147 PolarHBondContact O-N 2.73Å; M144-W148 WeakPolarHBondContact O-CB 3.48Å; M144-W148 PolarHBondContact O-N 3.35Å; M144-Y229 HydrophobicContact CB-CE2 3.91Å; M144-Y229 HydrophobicContact CE-CE1 4.26Å; M144-Y229 HydrophobicContact CE-CE2 3.99Å; M144-Y229 HydrophobicContact CG-CE2 4.33Å; M144-Y229 WeakPolarHBondContact O-CE2 3.49Å; M144-L232 HydrophobicContact CG-CB 3.84Å; M144-L232 HydrophobicContact CG-CD1 4.24Å; M144-L232 HydrophobicContact SD-CB 4.43Å; M144-M233 HydrophobicContact CE-CB 4.1Å
145	D	84	Confident	84.7	Confident	56 Å²	56	53.8 Å²	53.8	30%	0.299	25%	0.249	S	C	.	.	H	α-helix	trans	-57.9	-41.8	178.1	-85.2	3.8	0	0	0	112.3	L141 W148 R149	L141-D145 WeakPolarHBondContact O-CB 3.45Å; L141-D145 PolarHBondContact O-N 2.89Å; D145-W148 PolarHBondContact O-N 3.41Å; D145-R149 WeakPolarHBondContact O-CG 3.43Å; D145-R149 PolarHBondContact O-N 3.19Å; D145-R149 VanDerWaalsContact O-N 3.08Å
146	S	87.1	Confident	83.7	Confident	45 Å²	45	52.7 Å²	52.7	32%	0.315	25%	0.247	S	C	.	.	H	α-helix	trans	-63.7	-46	179.1	-171.2	0	0	0	0	111.9	K142 H143 M144 R150	K142-S146 WeakPolarHBondContact O-CB 3.42Å; K142-S146 PolarHBondContact O-N 3.36Å; K142-S146 VanDerWaalsContact O-N 3.13Å; H143-S146 PolarHBondContact O-N 2.98Å; M144-S146 VanDerWaalsContact C-N 3.3Å; M144-S146 PolarHBondContact O-N 2.78Å; S146-R150 PolarHBondContact O-N 3.44Å
147	L	87.4	Confident	82.9	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67.6	-38	177	-69.3	176.3	0	0	0	111.6	H143 M144 R150 L151 L225 V228 Y229 L232 S255 A258 A259	H143-L147 WeakPolarHBondContact O-CG 3.36Å; H143-L147 PolarHBondContact O-N 3.43Å; H143-L147 VanDerWaalsContact O-N 3.13Å; M144-L147 PolarHBondContact O-N 2.73Å; L147-R150 WeakPolarHBondContact O-CB 3.47Å; L147-R150 PolarHBondContact O-N 2.98Å; L147-R150 VanDerWaalsContact O-N 3.15Å; L147-L151 PolarHBondContact O-N 2.95Å; L147-L225 HydrophobicContact CD2-CD2 3.57Å; L147-V228 HydrophobicContact CD1-CB 4.39Å; L147-V228 HydrophobicContact CD1-CG1 3.88Å; L147-Y229 HydrophobicContact CB-CD2 4.05Å; L147-L232 HydrophobicContact CD1-CD1 3.54Å; L147-S255 WeakPolarHBondContact CD1-OG 3.32Å; L147-A258 HydrophobicContact CD2-CB 4.1Å; L147-A259 HydrophobicContact CD2-CB 4.31Å
148	W	80.5	Confident	82.1	Confident	52 Å²	52	54.8 Å²	54.8	20%	0.197	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-49.5	178	170.2	70.7	0	0	0	112.5	L41 M144 D145 R150 L151 K152 Y229	L41-W148 HydrophobicContact CD1-CG 4.22Å; L41-W148 VanDerWaalsContact CD2-NE1 3.25Å; M144-W148 WeakPolarHBondContact O-CB 3.48Å; M144-W148 PolarHBondContact O-N 3.35Å; D145-W148 PolarHBondContact O-N 3.41Å; W148-R150 PolarHBondContact O-N 3.09Å; W148-L151 PolarHBondContact O-N 3.47Å; W148-K152 HydrophobicContact CH2-CD 4.09Å; W148-K152 HydrophobicContact CZ2-CD 3.84Å; W148-K152 PolarHBondContact O-N 3.48Å; W148-Y229 HydrophobicContact CB-CE2 4.21Å
149	R	81.4	Confident	81.2	Confident	136 Å²	136	54.3 Å²	54.3	51%	0.513	25%	0.253	S	S	.	.	H	α-helix	trans	-55.2	-38.5	177.3	-69.7	-176.9	-147.9	113.8	7.1	110.8	D145 I153	D145-R149 WeakPolarHBondContact O-CG 3.43Å; D145-R149 PolarHBondContact O-N 3.19Å; D145-R149 VanDerWaalsContact O-N 3.08Å; R149-I153 WeakPolarHBondContact O-CD1 3.43Å; R149-I153 VanDerWaalsContact O-CG1 3.24Å; R149-I153 WeakPolarHBondContact O-CG1 3.12Å; R149-I153 PolarHBondContact O-N 3.48Å; R149-I153 VanDerWaalsContact O-N 3.16Å
150	R	82.8	Confident	80.1	Confident	21 Å²	21	54.1 Å²	54.1	8%	0.079	25%	0.251	C	S	.	.	H	α-helix	trans	-70.1	-46.3	179.9	-165	172.3	173	118.7	10.5	112.7	S146 L147 W148 K152 I153 Q154 L225 A258 A259 L261 D262 M263	S146-R150 PolarHBondContact O-N 3.44Å; L147-R150 WeakPolarHBondContact O-CB 3.47Å; L147-R150 PolarHBondContact O-N 2.98Å; L147-R150 VanDerWaalsContact O-N 3.15Å; W148-R150 PolarHBondContact O-N 3.09Å; R150-K152 VanDerWaalsContact C-N 3.29Å; R150-K152 PolarHBondContact O-N 2.92Å; R150-I153 PolarHBondContact O-N 3.47Å; R150-Q154 PolarHBondContact O-N 3.44Å; R150-L225 HydrophobicContact CG-CD1 4.17Å; R150-A258 PolarHBondContact NE-O 2.92Å; R150-A258 VanDerWaalsContact NE-O 3.14Å; R150-A258 PolarHBondContact NH1-O 2.78Å; R150-A259 PolarHBondContact NH1-O 2.64Å; R150-L261 PolarHBondContact NH1-O 2.68Å; R150-L261 PolarHBondContact NH2-O 2.88Å; R150-D262 PolarHBondContact NH2-O 2.86Å; R150-M263 HydrophobicContact CG-SD 3.82Å
151	L	81.1	Confident	79	Confident	18 Å²	18	54.4 Å²	54.4	9%	0.094	25%	0.253	C	S	.	.	H	α-helix	trans	-57.8	-41.7	174	-76.3	170.1	0	0	0	111.6	L147 W148 I153 Q154 Q155 R222 L225 T226 Y229	L147-L151 PolarHBondContact O-N 2.95Å; W148-L151 PolarHBondContact O-N 3.47Å; L151-I153 PolarHBondContact O-N 2.88Å; L151-Q154 PolarHBondContact O-N 2.97Å; L151-Q155 PolarHBondContact O-N 3.22Å; L151-R222 HydrophobicContact CD2-CG 3.76Å; L151-L225 HydrophobicContact CD2-CB 3.72Å; L151-L225 HydrophobicContact CG-CB 4.25Å; L151-T226 WeakPolarHBondContact CD2-OG1 3.4Å; L151-Y229 HydrophobicContact CD1-CD2 4.49Å; L151-Y229 HydrophobicContact CD1-CG 4.25Å
152	K	77	Confident	78.1	Confident	84 Å²	84	56.8 Å²	56.8	37%	0.365	26%	0.258	S	S	.	.	H	α-helix	trans	-61.7	-42.4	176.5	-172.5	174.4	-175.1	175.9	0	112.2	W148 R150	W148-K152 HydrophobicContact CH2-CD 4.09Å; W148-K152 HydrophobicContact CZ2-CD 3.84Å; W148-K152 PolarHBondContact O-N 3.48Å; R150-K152 VanDerWaalsContact C-N 3.29Å; R150-K152 PolarHBondContact O-N 2.92Å
153	I	76.8	Confident	77	Confident	77 Å²	77	51.9 Å²	51.9	40%	0.395	24%	0.235	S	C	.	.	H	α-helix	trans	-68.1	-44.2	177.5	-63.2	164.2	0	0	0	110.3	R149 R150 L151 Q155 N156 Y157 M263	R149-I153 WeakPolarHBondContact O-CD1 3.43Å; R149-I153 VanDerWaalsContact O-CG1 3.24Å; R149-I153 WeakPolarHBondContact O-CG1 3.12Å; R149-I153 PolarHBondContact O-N 3.48Å; R149-I153 VanDerWaalsContact O-N 3.16Å; R150-I153 PolarHBondContact O-N 3.47Å; L151-I153 PolarHBondContact O-N 2.88Å; I153-Q155 VanDerWaalsContact C-N 3.29Å; I153-Q155 PolarHBondContact O-N 3.27Å; I153-N156 WeakPolarHBondContact O-CB 3.33Å; I153-N156 PolarHBondContact O-N 3.11Å; I153-N156 VanDerWaalsContact O-N 3.08Å; I153-Y157 HydrophobicContact CG2-CD2 3.87Å; I153-Y157 HydrophobicContact CG2-CE2 3.48Å; I153-Y157 VanDerWaalsContact CG2-CE2 3.48Å; I153-Y157 VanDerWaalsContact O-CD2 3.29Å; I153-Y157 WeakPolarHBondContact O-CD2 3.33Å; I153-Y157 PolarHBondContact O-N 3.49Å; I153-M263 HydrophobicContact CB-CE 3.85Å; I153-M263 HydrophobicContact CG2-CE 3.37Å
154	Q	75.3	Confident	75.7	Confident	0 Å²	0	53 Å²	53	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-34.4	177.4	-80.7	-174.3	-29.1	0	0	113	R150 L151 N156 Y157 V158 R222 M263	R150-Q154 PolarHBondContact O-N 3.44Å; L151-Q154 PolarHBondContact O-N 2.97Å; Q154-N156 VanDerWaalsContact C-N 3.25Å; Q154-N156 PolarHBondContact O-N 3.39Å; Q154-Y157 PolarHBondContact O-N 3.26Å; Q154-Y157 VanDerWaalsContact O-N 3.1Å; Q154-V158 WeakPolarHBondContact O-CG2 3.42Å; Q154-V158 PolarHBondContact O-N 3.01Å; Q154-R222 VanDerWaalsContact OE1-CA 3.23Å; Q154-M263 HydrophobicContact CG-CE 3.77Å
155	Q	75.2	Confident	74.6	Confident	72 Å²	72	57.4 Å²	57.4	34%	0.336	27%	0.27	S	S	.	.	H	α-helix	trans	-56.4	-40.7	172.4	178.2	66.3	63.8	0	0	112	L151 I153 V158 E159 R222	L151-Q155 PolarHBondContact O-N 3.22Å; I153-Q155 VanDerWaalsContact C-N 3.29Å; I153-Q155 PolarHBondContact O-N 3.27Å; Q155-V158 PolarHBondContact O-N 2.79Å; Q155-E159 PolarHBondContact O-N 3.24Å; Q155-E159 VanDerWaalsContact O-N 3.08Å; Q155-R222 VanDerWaalsContact CD-NH1 3.28Å
156	N	71.3	Confident	73.9	Confident	90 Å²	90	59.7 Å²	59.7	48%	0.481	28%	0.282	S	S	.	.	H	α-helix	trans	-67.4	-37.8	176.4	-64.7	-13.7	0	0	0	111.6	I153 Q154 E159 K160	I153-N156 WeakPolarHBondContact O-CB 3.33Å; I153-N156 PolarHBondContact O-N 3.11Å; I153-N156 VanDerWaalsContact O-N 3.08Å; Q154-N156 VanDerWaalsContact C-N 3.25Å; Q154-N156 PolarHBondContact O-N 3.39Å; N156-E159 PolarHBondContact O-N 2.92Å; N156-K160 VanDerWaalsContact O-CB 3.28Å; N156-K160 WeakPolarHBondContact O-CB 3.32Å; N156-K160 PolarHBondContact O-N 3.45Å
157	Y	71.9	Confident	73.3	Confident	72 Å²	72	57.9 Å²	57.9	28%	0.282	27%	0.268	S	S	.	.	H	α-helix	trans	-65.1	-45.5	175.1	-77.6	-74.4	0	0	0	112	I153 Q154 E159 K160 E161 M263	I153-Y157 HydrophobicContact CG2-CD2 3.87Å; I153-Y157 HydrophobicContact CG2-CE2 3.48Å; I153-Y157 VanDerWaalsContact CG2-CE2 3.48Å; I153-Y157 VanDerWaalsContact O-CD2 3.29Å; I153-Y157 WeakPolarHBondContact O-CD2 3.33Å; I153-Y157 PolarHBondContact O-N 3.49Å; Q154-Y157 PolarHBondContact O-N 3.26Å; Q154-Y157 VanDerWaalsContact O-N 3.1Å; Y157-E159 VanDerWaalsContact C-N 3.31Å; Y157-E159 PolarHBondContact O-N 3.27Å; Y157-K160 CarbonylContact O-C 3.17Å; Y157-K160 PolarHBondContact O-N 3.05Å; Y157-E161 WeakPolarHBondContact O-CB 3.34Å; Y157-E161 PolarHBondContact O-N 2.87Å; Y157-M263 HydrophobicContact CD2-CE 3.97Å; Y157-M263 HydrophobicContact CE2-CE 3.76Å
158	V	70.2	Confident	72.6	Confident	16 Å²	16	64.9 Å²	64.9	10%	0.097	30%	0.295	C	S	.	.	H	α-helix	trans	-57.4	-46.6	175.8	173.5	0	0	0	0	110.5	Q154 Q155 K160 E161 R162 I218 V219	Q154-V158 WeakPolarHBondContact O-CG2 3.42Å; Q154-V158 PolarHBondContact O-N 3.01Å; Q155-V158 PolarHBondContact O-N 2.79Å; V158-K160 VanDerWaalsContact C-N 3.33Å; V158-K160 PolarHBondContact O-N 3.26Å; V158-E161 PolarHBondContact O-N 2.87Å; V158-R162 WeakPolarHBondContact O-CB 3.46Å; V158-R162 PolarHBondContact O-N 2.9Å; V158-I218 HydrophobicContact CG2-CG2 3.51Å; V158-V219 HydrophobicContact CG1-CG2 4.38Å; V158-V219 HydrophobicContact CG2-CG2 4.22Å
159	E	69.5	Low	72.2	Confident	102 Å²	102	67 Å²	67	48%	0.477	31%	0.31	S	S	.	.	H	α-helix	trans	-65.9	-36.8	179.1	-167.5	59	-150.5	0	0	112.2	Q155 N156 Y157	Q155-E159 PolarHBondContact O-N 3.24Å; Q155-E159 VanDerWaalsContact O-N 3.08Å; N156-E159 PolarHBondContact O-N 2.92Å; Y157-E159 VanDerWaalsContact C-N 3.31Å; Y157-E159 PolarHBondContact O-N 3.27Å
160	K	66.3	Low	71.9	Confident	60 Å²	60	61.2 Å²	61.2	26%	0.261	29%	0.29	S	S	.	.	H	α-helix	trans	-67.8	-37.5	174.5	-170.1	-174.9	176.5	-167.3	0	112.3	N156 Y157 V158 R162 R163	N156-K160 VanDerWaalsContact O-CB 3.28Å; N156-K160 WeakPolarHBondContact O-CB 3.32Å; N156-K160 PolarHBondContact O-N 3.45Å; Y157-K160 CarbonylContact O-C 3.17Å; Y157-K160 PolarHBondContact O-N 3.05Å; V158-K160 VanDerWaalsContact C-N 3.33Å; V158-K160 PolarHBondContact O-N 3.26Å; K160-R162 VanDerWaalsContact C-N 3.35Å; K160-R163 WeakPolarHBondContact O-CD 3.34Å; K160-R163 WeakPolarHBondContact O-CG 3.24Å
161	E	68	Low	71.6	Confident	7 Å²	7	60.9 Å²	60.9	3%	0.033	29%	0.289	C	S	.	.	H	α-helix	trans	-73.7	-30.3	179.7	-152.1	67.3	-158.9	0	0	111.2	Y157 V158 R163 L211 E215 I218 M267	Y157-E161 WeakPolarHBondContact O-CB 3.34Å; Y157-E161 PolarHBondContact O-N 2.87Å; V158-E161 PolarHBondContact O-N 2.87Å; E161-R163 PolarHBondContact O-N 3.02Å; E161-L211 WeakPolarHBondContact OE1-CD2 3.47Å; E161-E215 HydrophobicContact CG-CB 4Å; E161-I218 HydrophobicContact CB-CD1 4.33Å; E161-I218 HydrophobicContact CG-CD1 4.17Å; E161-M267 WeakPolarHBondContact OE1-CB 3.24Å
162	R	66.1	Low	71.5	Confident	105 Å²	105	64.2 Å²	64.2	40%	0.396	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	6.6	178.2	-148.8	-174.6	-171.2	148	18.4	115.1	K48 V158 K160 T164	K48-R162 VanDerWaalsContact NZ-NH2 3.14Å; V158-R162 WeakPolarHBondContact O-CB 3.46Å; V158-R162 PolarHBondContact O-N 2.9Å; K160-R162 VanDerWaalsContact C-N 3.35Å; R162-T164 PolarHBondContact O-N 3.18Å
163	R	66.3	Low	71.5	Confident	53 Å²	53	63.3 Å²	63.3	20%	0.2	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	8.9	177.5	-72.8	173.9	179	-169	-14.9	114.7	K160 E161 T165 L166 W167 E391 Y393	K160-R163 WeakPolarHBondContact O-CD 3.34Å; K160-R163 WeakPolarHBondContact O-CG 3.24Å; E161-R163 PolarHBondContact O-N 3.02Å; R163-T165 PolarHBondContact O-N 2.95Å; R163-T165 VanDerWaalsContact O-N 3.11Å; R163-L166 HydrophobicContact CG-CD1 4.37Å; R163-L166 PolarHBondContact O-N 3.39Å; R163-W167 PolarHBondContact O-N 3.15Å; R163-E391 IonicContact CZ-OE1 3.9Å; R163-E391 IonicContact CZ-OE2 3.2Å; R163-E391 IonicContact NH1-OE1 2.8Å; R163-E391 PolarHBondContact NH1-OE1 2.78Å; R163-E391 IonicContact NH1-OE2 3Å; R163-E391 PolarHBondContact NH1-OE2 2.85Å; R163-E391 IonicContact NH2-OE1 3.8Å; R163-E391 PolarHBondContact NH2-OE1 3.15Å; R163-E391 IonicContact NH2-OE2 2.72Å; R163-Y393 PolarHBondContact NH1-OH 2.91Å
164	T	64.9	Low	71.7	Confident	36 Å²	36	61.1 Å²	61.1	22%	0.221	29%	0.289	C	S	.	.	H	α-helix	trans	-44.6	-40.9	174.1	-59.8	0	0	0	0	114.1	R162 W167 W168 L208	R162-T164 PolarHBondContact O-N 3.18Å; T164-W167 WeakPolarHBondContact O-CB 3.35Å; T164-W167 PolarHBondContact O-N 3.16Å; T164-W168 PolarHBondContact O-N 2.94Å; T164-L208 HydrophobicContact CG2-CD1 3.59Å
165	T	63.6	Low	72.2	Confident	103 Å²	103	61.6 Å²	61.6	63%	0.632	29%	0.291	S	S	*	.	H	α-helix	trans	-69.1	-43.2	177.7	-52.5	0	0	0	0	112.4	R163 W167 W168 L169	R163-T165 PolarHBondContact O-N 2.95Å; R163-T165 VanDerWaalsContact O-N 3.11Å; T165-W167 VanDerWaalsContact C-N 3.32Å; T165-W168 PolarHBondContact O-N 2.89Å; T165-L169 WeakPolarHBondContact O-CG 3.4Å; T165-L169 PolarHBondContact O-N 3.07Å; T165-L169 VanDerWaalsContact O-N 3.1Å
166	L	69.4	Low	72.6	Confident	105 Å²	105	62.7 Å²	62.7	55%	0.55	30%	0.296	S	S	.	.	H	α-helix	trans	-67.4	-36.4	176.5	-67.1	175.5	0	0	0	111.2	R163 L169 S170	R163-L166 HydrophobicContact CG-CD1 4.37Å; R163-L166 PolarHBondContact O-N 3.39Å; L166-L169 PolarHBondContact O-N 3.17Å; L166-S170 WeakPolarHBondContact O-CB 3.49Å; L166-S170 PolarHBondContact O-N 3.27Å
167	W	74.1	Confident	73.1	Confident	6 Å²	6	58.7 Å²	58.7	2%	0.023	28%	0.275	C	S	.	.	H	α-helix	trans	-58.3	-51.7	172.2	178.9	-99.3	0	0	0	111.3	R163 T164 T165 L169 S170 M171 S204 T207 P269 L271 Y393	R163-W167 PolarHBondContact O-N 3.15Å; T164-W167 WeakPolarHBondContact O-CB 3.35Å; T164-W167 PolarHBondContact O-N 3.16Å; T165-W167 VanDerWaalsContact C-N 3.32Å; W167-L169 VanDerWaalsContact C-N 3.34Å; W167-L169 PolarHBondContact O-N 3.2Å; W167-S170 WeakPolarHBondContact O-CB 3.39Å; W167-S170 PolarHBondContact O-N 2.94Å; W167-S170 VanDerWaalsContact O-N 3.14Å; W167-M171 HydrophobicContact CZ2-SD 4.12Å; W167-M171 VanDerWaalsContact O-CG 3.29Å; W167-M171 WeakPolarHBondContact O-CG 3.47Å; W167-M171 PolarHBondContact O-N 2.88Å; W167-S204 PolarHBondContact NE1-OG 2.88Å; W167-T207 HydrophobicContact CH2-CG2 3.65Å; W167-T207 HydrophobicContact CZ2-CG2 3.56Å; W167-T207 HydrophobicContact CZ3-CG2 4.43Å; W167-P269 HydrophobicContact CE3-CB 4.11Å; W167-P269 HydrophobicContact CE3-CG 4.01Å; W167-P269 HydrophobicContact CH2-CB 3.67Å; W167-P269 HydrophobicContact CH2-CG 4.39Å; W167-P269 HydrophobicContact CZ3-CB 3.43Å; W167-P269 VanDerWaalsContact CZ3-CB 3.43Å; W167-P269 HydrophobicContact CZ3-CG 3.65Å; W167-L271 HydrophobicContact CH2-CD1 3.75Å; W167-L271 HydrophobicContact CH2-CD2 3.92Å; W167-L271 HydrophobicContact CH2-CG 3.57Å; W167-L271 HydrophobicContact CZ2-CD1 4.04Å; W167-L271 HydrophobicContact CZ2-CD2 3.87Å; W167-L271 HydrophobicContact CZ2-CG 3.99Å; W167-L271 HydrophobicContact CZ3-CD1 4.42Å; W167-Y393 AromaticContact CE3-CD2 3.45Å; W167-Y393 HydrophobicContact CE3-CD2 3.45Å; W167-Y393 VanDerWaalsContact CE3-CD2 3.45Å; W167-Y393 AromaticContact CE3-CE2 3.79Å; W167-Y393 HydrophobicContact CE3-CE2 3.79Å; W167-Y393 HydrophobicContact CE3-CG 4.22Å; W167-Y393 AromaticContact CZ3-CD2 3.29Å; W167-Y393 HydrophobicContact CZ3-CD2 3.29Å; W167-Y393 HydrophobicContact CZ3-CE2 4.06Å; W167-Y393 AromaticContact CZ3-CG 3.63Å; W167-Y393 HydrophobicContact CZ3-CG 3.63Å
168	W	73.3	Confident	73.6	Confident	147 Å²	147	55.8 Å²	55.8	56%	0.557	26%	0.264	S	S	*	.	H	α-helix	trans	-60.6	-40.4	179.6	-171.1	93.9	0	0	0	112.9	T164 T165 M171 K172	T164-W168 PolarHBondContact O-N 2.94Å; T165-W168 PolarHBondContact O-N 2.89Å; W168-M171 WeakPolarHBondContact O-CB 3.5Å; W168-M171 PolarHBondContact O-N 3.43Å; W168-K172 HydrophobicContact CD2-CG 4.07Å; W168-K172 HydrophobicContact CE3-CG 3.95Å; W168-K172 HydrophobicContact CH2-CD 4.34Å; W168-K172 HydrophobicContact CH2-CG 3.77Å; W168-K172 HydrophobicContact CZ2-CD 4.19Å; W168-K172 HydrophobicContact CZ2-CG 3.89Å; W168-K172 HydrophobicContact CZ3-CG 3.79Å; W168-K172 WeakPolarHBondContact O-CG 3.32Å; W168-K172 PolarHBondContact O-N 2.95Å
169	L	73.1	Confident	74.4	Confident	98 Å²	98	58.4 Å²	58.4	51%	0.513	27%	0.274	S	S	.	.	H	α-helix	trans	-63.7	-43	174.6	-71.4	169.9	0	0	0	111.9	T165 L166 W167 M171 K172 L173	T165-L169 WeakPolarHBondContact O-CG 3.4Å; T165-L169 PolarHBondContact O-N 3.07Å; T165-L169 VanDerWaalsContact O-N 3.1Å; L166-L169 PolarHBondContact O-N 3.17Å; W167-L169 VanDerWaalsContact C-N 3.34Å; W167-L169 PolarHBondContact O-N 3.2Å; L169-M171 VanDerWaalsContact C-N 3.33Å; L169-M171 PolarHBondContact O-N 2.84Å; L169-K172 PolarHBondContact O-N 3.37Å; L169-L173 WeakPolarHBondContact O-CB 3.11Å; L169-L173 PolarHBondContact O-N 3.09Å
170	S	73.7	Confident	75	Confident	13 Å²	13	56.7 Å²	56.7	9%	0.091	26%	0.263	C	S	.	.	H	α-helix	trans	-61.6	-41.8	176.4	-170.3	0	0	0	0	111.8	L166 W167 L173 R174	L166-S170 WeakPolarHBondContact O-CB 3.49Å; L166-S170 PolarHBondContact O-N 3.27Å; W167-S170 WeakPolarHBondContact O-CB 3.39Å; W167-S170 PolarHBondContact O-N 2.94Å; W167-S170 VanDerWaalsContact O-N 3.14Å; S170-L173 PolarHBondContact O-N 3.27Å; S170-R174 WeakPolarHBondContact O-CG 3.48Å; S170-R174 PolarHBondContact O-N 3.03Å
171	M	77.4	Confident	75.8	Confident	15 Å²	15	54.4 Å²	54.4	7%	0.074	25%	0.254	C	S	.	.	H	α-helix	trans	-57.9	-51	174.3	-75.2	-61.4	-46.3	0	0	112.5	W167 W168 L169 L173 R174 E175 L200 S204 L271	W167-M171 HydrophobicContact CZ2-SD 4.12Å; W167-M171 VanDerWaalsContact O-CG 3.29Å; W167-M171 WeakPolarHBondContact O-CG 3.47Å; W167-M171 PolarHBondContact O-N 2.88Å; W168-M171 WeakPolarHBondContact O-CB 3.5Å; W168-M171 PolarHBondContact O-N 3.43Å; L169-M171 VanDerWaalsContact C-N 3.33Å; L169-M171 PolarHBondContact O-N 2.84Å; M171-L173 VanDerWaalsContact C-N 3.35Å; M171-L173 PolarHBondContact O-N 3.08Å; M171-R174 PolarHBondContact O-N 3.35Å; M171-E175 PolarHBondContact O-N 3.43Å; M171-L200 HydrophobicContact CE-CD1 3.72Å; M171-L200 HydrophobicContact CE-CD2 4.21Å; M171-L200 HydrophobicContact CE-CG 3.59Å; M171-L200 HydrophobicContact SD-CD1 4.24Å; M171-S204 VanDerWaalsContact CE-OG 3.3Å; M171-S204 WeakPolarHBondContact CE-OG 3.39Å; M171-S204 VanDerWaalsContact CG-OG 3.28Å; M171-S204 WeakPolarHBondContact CG-OG 3.42Å; M171-S204 WeakPolarHBondContact SD-CB 3.33Å; M171-S204 PolarHBondContact SD-OG 3.42Å; M171-L271 HydrophobicContact SD-CD1 3.78Å; M171-L271 HydrophobicContact SD-CD2 4.36Å
172	K	79.6	Confident	76.5	Confident	88 Å²	88	54.5 Å²	54.5	38%	0.383	25%	0.254	S	S	.	.	H	α-helix	trans	-63.2	-41.9	179.9	-72.4	-62.7	-177.8	-173.9	0	112.2	W168 L169 R174 E175 E176	W168-K172 HydrophobicContact CD2-CG 4.07Å; W168-K172 HydrophobicContact CE3-CG 3.95Å; W168-K172 HydrophobicContact CH2-CD 4.34Å; W168-K172 HydrophobicContact CH2-CG 3.77Å; W168-K172 HydrophobicContact CZ2-CD 4.19Å; W168-K172 HydrophobicContact CZ2-CG 3.89Å; W168-K172 HydrophobicContact CZ3-CG 3.79Å; W168-K172 WeakPolarHBondContact O-CG 3.32Å; W168-K172 PolarHBondContact O-N 2.95Å; L169-K172 PolarHBondContact O-N 3.37Å; K172-R174 VanDerWaalsContact C-N 3.3Å; K172-R174 PolarHBondContact O-N 3.3Å; K172-E175 PolarHBondContact O-N 2.88Å; K172-E176 PolarHBondContact O-N 2.89Å
173	L	76.5	Confident	77.1	Confident	65 Å²	65	52.3 Å²	52.3	34%	0.34	27%	0.265	S	S	.	.	H	α-helix	trans	-60.1	-42.4	176.1	-176.6	62.8	0	0	0	111.4	L169 S170 M171 E176 V177	L169-L173 WeakPolarHBondContact O-CB 3.11Å; L169-L173 PolarHBondContact O-N 3.09Å; S170-L173 PolarHBondContact O-N 3.27Å; M171-L173 VanDerWaalsContact C-N 3.35Å; M171-L173 PolarHBondContact O-N 3.08Å; L173-E176 PolarHBondContact O-N 3.11Å; L173-V177 VanDerWaalsContact O-CG2 3.24Å; L173-V177 WeakPolarHBondContact O-CG2 3.5Å; L173-V177 PolarHBondContact O-N 3.18Å
174	R	79.8	Confident	77.6	Confident	30 Å²	30	54.4 Å²	54.4	11%	0.113	28%	0.276	C	S	.	.	H	α-helix	trans	-64.7	-42.4	178	-74.2	175.2	-167.6	-145.2	-0.6	113	S170 M171 K172 E176 V177 I178 L200 H392 I394	S170-R174 WeakPolarHBondContact O-CG 3.48Å; S170-R174 PolarHBondContact O-N 3.03Å; M171-R174 PolarHBondContact O-N 3.35Å; K172-R174 VanDerWaalsContact C-N 3.3Å; K172-R174 PolarHBondContact O-N 3.3Å; R174-E176 VanDerWaalsContact C-N 3.3Å; R174-E176 PolarHBondContact O-N 3.11Å; R174-V177 PolarHBondContact O-N 3.35Å; R174-I178 WeakPolarHBondContact O-CG1 3.28Å; R174-I178 PolarHBondContact O-N 3.42Å; R174-L200 HydrophobicContact CB-CD2 3.89Å; R174-H392 PolarHBondContact NH2-ND1 3.01Å; R174-I394 VanDerWaalsContact CZ-CG1 3.48Å; R174-I394 VanDerWaalsContact NH2-CG1 3.35Å
175	E	85.6	Confident	78	Confident	11 Å²	11	53.6 Å²	53.6	5%	0.051	27%	0.269	C	S	.	.	H	α-helix	trans	-56.3	-47.4	176.9	-167.1	-174.1	132.8	0	0	110.9	M171 K172 V177 I178 K179 I197 R201	M171-E175 PolarHBondContact O-N 3.43Å; K172-E175 PolarHBondContact O-N 2.88Å; E175-V177 VanDerWaalsContact C-N 3.32Å; E175-V177 PolarHBondContact O-N 2.98Å; E175-I178 PolarHBondContact O-N 2.92Å; E175-K179 WeakPolarHBondContact O-CG 3.46Å; E175-K179 PolarHBondContact O-N 3.21Å; E175-K179 VanDerWaalsContact OE1-CE 3.3Å; E175-K179 WeakPolarHBondContact OE1-CE 3.32Å; E175-K179 IonicContact OE1-NZ 2.73Å; E175-K179 PolarHBondContact OE1-NZ 2.92Å; E175-I197 HydrophobicContact CG-CD1 4.31Å; E175-I197 HydrophobicContact CG-CG1 4.12Å; E175-I197 HydrophobicContact CG-CG2 3.78Å; E175-R201 IonicContact OE1-CZ 3.86Å; E175-R201 IonicContact OE1-NE 3.43Å; E175-R201 IonicContact OE1-NH2 3.48Å; E175-R201 PolarHBondContact OE1-NH2 2.84Å; E175-R201 IonicContact OE2-CZ 3.4Å; E175-R201 IonicContact OE2-NE 3.44Å; E175-R201 PolarHBondContact OE2-NE 3.27Å; E175-R201 IonicContact OE2-NH2 2.78Å; E175-R201 PolarHBondContact OE2-NH2 3.17Å
176	E	83.7	Confident	78.4	Confident	95 Å²	95	54.9 Å²	54.9	44%	0.444	28%	0.281	S	S	.	.	H	α-helix	trans	-64.3	-36.6	177.9	-69.8	-52.9	122.4	0	0	112.9	K172 L173 R174 K179 R180	K172-E176 PolarHBondContact O-N 2.89Å; L173-E176 PolarHBondContact O-N 3.11Å; R174-E176 VanDerWaalsContact C-N 3.3Å; R174-E176 PolarHBondContact O-N 3.11Å; E176-K179 IonicContact OE1-NZ 3.53Å; E176-K179 PolarHBondContact OE1-NZ 3.47Å; E176-R180 PolarHBondContact O-N 2.83Å
177	V	81.7	Confident	78.8	Confident	6 Å²	6	54.5 Å²	54.5	4%	0.036	28%	0.284	C	S	.	.	H	α-helix	trans	-69.1	-42.3	176.4	177.5	0	0	0	0	111.5	L173 R174 E175 R180 V181 L422	L173-V177 VanDerWaalsContact O-CG2 3.24Å; L173-V177 WeakPolarHBondContact O-CG2 3.5Å; L173-V177 PolarHBondContact O-N 3.18Å; R174-V177 PolarHBondContact O-N 3.35Å; E175-V177 VanDerWaalsContact C-N 3.32Å; E175-V177 PolarHBondContact O-N 2.98Å; V177-R180 WeakPolarHBondContact O-CB 3.45Å; V177-R180 PolarHBondContact O-N 2.92Å; V177-V181 HydrophobicContact CG1-CG2 4.33Å; V177-V181 WeakPolarHBondContact O-CG2 3.38Å; V177-V181 PolarHBondContact O-N 3.12Å; V177-L422 HydrophobicContact CB-CD2 4.33Å; V177-L422 HydrophobicContact CG1-CD2 3.24Å
178	I	84.3	Confident	78.9	Confident	10 Å²	10	58.8 Å²	58.8	5%	0.051	31%	0.313	C	S	.	.	H	α-helix	trans	-58.2	-50.2	175.5	-71.3	165.9	0	0	0	109.8	R174 E175 R180 V181 Y182 R193 H196 I197 L200	R174-I178 WeakPolarHBondContact O-CG1 3.28Å; R174-I178 PolarHBondContact O-N 3.42Å; E175-I178 PolarHBondContact O-N 2.92Å; I178-R180 PolarHBondContact O-N 3.25Å; I178-V181 PolarHBondContact O-N 3.49Å; I178-V181 VanDerWaalsContact O-N 3.1Å; I178-Y182 HydrophobicContact CG2-CD2 3.74Å; I178-Y182 HydrophobicContact CG2-CE2 3.84Å; I178-Y182 WeakPolarHBondContact O-CD2 3.47Å; I178-Y182 PolarHBondContact O-N 3.32Å; I178-R193 HydrophobicContact CG2-CG 4.45Å; I178-H196 HydrophobicContact CG2-CB 4.38Å; I178-I197 HydrophobicContact CG2-CD1 4.49Å; I178-I197 HydrophobicContact CG2-CG1 3.94Å; I178-L200 HydrophobicContact CD1-CD2 3.58Å
179	K	86.8	Confident	79.4	Confident	72 Å²	72	53.5 Å²	53.5	31%	0.313	30%	0.296	S	S	.	.	H	α-helix	trans	-51.4	-43.9	177	-71.7	173.6	-172	160.6	0	111.9	E175 E176 G183 I197	E175-K179 WeakPolarHBondContact O-CG 3.46Å; E175-K179 PolarHBondContact O-N 3.21Å; E175-K179 VanDerWaalsContact OE1-CE 3.3Å; E175-K179 WeakPolarHBondContact OE1-CE 3.32Å; E175-K179 IonicContact OE1-NZ 2.73Å; E175-K179 PolarHBondContact OE1-NZ 2.92Å; E176-K179 IonicContact OE1-NZ 3.53Å; E176-K179 PolarHBondContact OE1-NZ 3.47Å; K179-G183 PolarHBondContact O-N 3.42Å; K179-I197 HydrophobicContact CD-CD1 4.36Å; K179-I197 HydrophobicContact CG-CD1 3.56Å
180	R	81.8	Confident	79.9	Confident	66 Å²	66	51.3 Å²	51.3	25%	0.249	29%	0.289	C	S	.	.	H	α-helix	trans	-68.2	-42.2	179.8	-168.7	-172.1	-59.5	151	5.1	113.3	E176 V177 I178 G183 K184 Y426 P428	E176-R180 PolarHBondContact O-N 2.83Å; V177-R180 WeakPolarHBondContact O-CB 3.45Å; V177-R180 PolarHBondContact O-N 2.92Å; I178-R180 PolarHBondContact O-N 3.25Å; R180-G183 PolarHBondContact O-N 3.37Å; R180-K184 WeakPolarHBondContact O-CG 2.98Å; R180-K184 PolarHBondContact O-N 3.29Å; R180-Y426 PolarHBondContact NH1-O 3.17Å; R180-P428 VanDerWaalsContact CZ-CD 3.45Å; R180-P428 VanDerWaalsContact NH1-CD 3.34Å
181	V	82.2	Confident	80.5	Confident	12 Å²	12	57.8 Å²	57.8	7%	0.073	32%	0.318	C	S	.	.	H	α-helix	trans	-67.8	-42.2	-177.3	171.8	0	0	0	0	111.3	V177 I178 K184 I276 L279 L422	V177-V181 HydrophobicContact CG1-CG2 4.33Å; V177-V181 WeakPolarHBondContact O-CG2 3.38Å; V177-V181 PolarHBondContact O-N 3.12Å; I178-V181 PolarHBondContact O-N 3.49Å; I178-V181 VanDerWaalsContact O-N 3.1Å; V181-K184 PolarHBondContact O-N 2.89Å; V181-I276 HydrophobicContact CG1-CD1 3.89Å; V181-I276 HydrophobicContact CG1-CG2 4.43Å; V181-L279 HydrophobicContact CG1-CD1 4.11Å; V181-L422 HydrophobicContact CG2-CD1 4.32Å; V181-L422 HydrophobicContact CG2-CD2 4.17Å
182	Y	82.3	Confident	80.9	Confident	8 Å²	8	60.4 Å²	60.4	3%	0.031	33%	0.33	C	S	.	.	H	α-helix	trans	-70.6	-37.5	174.6	-79.9	-98.4	0	0	0	111.8	I178 K184 Q185 L189 E192 R193 H196 I276	I178-Y182 HydrophobicContact CG2-CD2 3.74Å; I178-Y182 HydrophobicContact CG2-CE2 3.84Å; I178-Y182 WeakPolarHBondContact O-CD2 3.47Å; I178-Y182 PolarHBondContact O-N 3.32Å; Y182-K184 PolarHBondContact O-N 3.5Å; Y182-Q185 WeakPolarHBondContact O-CB 3.49Å; Y182-Q185 PolarHBondContact O-N 2.88Å; Y182-L189 HydrophobicContact CD1-CB 3.91Å; Y182-L189 WeakPolarHBondContact CD1-O 3.44Å; Y182-L189 HydrophobicContact CE1-CB 4.35Å; Y182-E192 HydrophobicContact CE1-CB 3.77Å; Y182-R193 HydrophobicContact CD1-CB 3.69Å; Y182-R193 HydrophobicContact CD2-CB 4.28Å; Y182-R193 HydrophobicContact CD2-CG 4.33Å; Y182-R193 HydrophobicContact CE1-CB 4.38Å; Y182-R193 HydrophobicContact CG-CB 3.63Å; Y182-R193 HydrophobicContact CG-CG 3.98Å; Y182-H196 HydrophobicContact CE2-CB 4.49Å; Y182-H196 AromaticContact CE2-ND1 3.5Å; Y182-H196 WeakPolarHBondContact CE2-ND1 3.29Å; Y182-H196 AromaticContact CZ-ND1 3.71Å; Y182-H196 PolarHBondContact OH-ND1 3.03Å; Y182-H196 VanDerWaalsContact OH-ND1 3.09Å; Y182-I276 HydrophobicContact CD2-CD1 4.46Å; Y182-I276 HydrophobicContact CD2-CG2 4.49Å; Y182-I276 HydrophobicContact CE1-CG2 4.27Å; Y182-I276 HydrophobicContact CE2-CB 4.44Å; Y182-I276 HydrophobicContact CE2-CD1 3.8Å; Y182-I276 HydrophobicContact CE2-CG1 3.82Å; Y182-I276 HydrophobicContact CE2-CG2 3.93Å
183	G	80.1	Confident	81.3	Confident	60 Å²	60	59.4 Å²	59.4	62%	0.619	32%	0.323	S	S	*	.	H	α-helix	trans	-62.2	-15	174.9	0	0	0	0	0	114.7	K179 R180	K179-G183 PolarHBondContact O-N 3.42Å; R180-G183 PolarHBondContact O-N 3.37Å
184	K	76.5	Confident	81.9	Confident	97 Å²	97	60 Å²	60	42%	0.422	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	2	173.1	-69.6	173	-179.1	174.2	0	113.4	R180 V181 Y182 R282 Y411	R180-K184 WeakPolarHBondContact O-CG 2.98Å; R180-K184 PolarHBondContact O-N 3.29Å; V181-K184 PolarHBondContact O-N 2.89Å; Y182-K184 PolarHBondContact O-N 3.5Å; K184-R282 PolarHBondContact O-NH1 3.33Å; K184-R282 VanDerWaalsContact O-NH1 3.09Å; K184-Y411 PolarHBondContact NZ-OH 3.01Å
185	Q	73.1	Confident	82.4	Confident	19 Å²	19	64.6 Å²	64.6	9%	0.089	35%	0.35	C	S	.	.			trans	-83.8	141	175.8	-71.6	168.9	-34.4	0	0	110.4	Y182 P187 L189 P277	Y182-Q185 WeakPolarHBondContact O-CB 3.49Å; Y182-Q185 PolarHBondContact O-N 2.88Å; Q185-P187 CarbonylContact C-O 3.2Å; Q185-P187 CarbonylContact O-C 3.58Å; Q185-L189 HydrophobicContact CB-CG 4.25Å; Q185-L189 VanDerWaalsContact OE1-CB 3.27Å; Q185-L189 VanDerWaalsContact OE1-CG 3.29Å; Q185-P277 PolarHBondContact NE2-O 2.87Å
186	C	71.2	Confident	82.5	Confident	129 Å²	129	65 Å²	65	87%	0.872	35%	0.352	S	S	*	.	S	Bend	trans	-129.6	114.9	173.1	-169.4	0	0	0	0	107.3
187	P	79.1	Confident	82.8	Confident	97 Å²	97	60.9 Å²	60.9	63%	0.63	33%	0.332	S	S	*	.	S	Bend	cis	-66.3	161.6	-0.1	30.7	-36	0	0	0	112.9	Q185 L189	Q185-P187 CarbonylContact C-O 3.2Å; Q185-P187 CarbonylContact O-C 3.58Å; P187-L189 PolarHBondContact O-N 3.37Å
188	P	76.4	Confident	83.2	Confident	97 Å²	97	67.1 Å²	67.1	63%	0.63	36%	0.361	S	S	*	.			trans	-63.1	126.7	175.8	-18.2	30.9	0	0	0	111.1	S190	P188-S190 PolarHBondContact O-N 3.42Å
189	L	82.6	Confident	83.4	Confident	35 Å²	35	68.7 Å²	68.7	18%	0.183	37%	0.373	C	S	.	.			trans	-97.3	63.8	175.6	-59	-169.8	0	0	0	110.2	Y182 Q185 P187 E192 R193 P277	Y182-L189 HydrophobicContact CD1-CB 3.91Å; Y182-L189 WeakPolarHBondContact CD1-O 3.44Å; Y182-L189 HydrophobicContact CE1-CB 4.35Å; Q185-L189 HydrophobicContact CB-CG 4.25Å; Q185-L189 VanDerWaalsContact OE1-CB 3.27Å; Q185-L189 VanDerWaalsContact OE1-CG 3.29Å; P187-L189 PolarHBondContact O-N 3.37Å; L189-E192 WeakPolarHBondContact CA-OE2 3.35Å; L189-E192 HydrophobicContact CB-CB 4.33Å; L189-E192 WeakPolarHBondContact CB-OE2 3.36Å; L189-R193 VanDerWaalsContact O-CB 3.27Å; L189-R193 WeakPolarHBondContact O-CB 3.44Å; L189-R193 PolarHBondContact O-N 3.15Å; L189-P277 HydrophobicContact CD1-CB 4.18Å
190	S	84.4	Confident	83.4	Confident	53 Å²	53	65.8 Å²	65.8	37%	0.371	36%	0.36	S	S	.	.	H	α-helix	trans	-67.5	-39.1	-173.9	-65.2	0	0	0	0	112.6	P188 R193 D194	P188-S190 PolarHBondContact O-N 3.42Å; S190-R193 WeakPolarHBondContact O-CB 3.38Å; S190-R193 PolarHBondContact O-N 3.26Å; S190-D194 WeakPolarHBondContact O-CB 3.38Å; S190-D194 PolarHBondContact O-N 3.32Å
191	E	85.7	Confident	83.8	Confident	149 Å²	149	68.2 Å²	68.2	70%	0.696	37%	0.37	S	S	*	.	H	α-helix	trans	-67.2	-47.3	179.8	-67.3	-179.7	-174.6	0	0	111	R193 D194 Q195	E191-R193 VanDerWaalsContact C-N 3.29Å; E191-R193 PolarHBondContact O-N 3.26Å; E191-D194 PolarHBondContact O-N 3Å; E191-Q195 WeakPolarHBondContact O-CB 3.26Å; E191-Q195 WeakPolarHBondContact O-CG 3.41Å; E191-Q195 PolarHBondContact O-N 3.36Å
192	E	86.1	Confident	84.1	Confident	70 Å²	70	73.7 Å²	73.7	33%	0.327	39%	0.394	S	S	.	.	H	α-helix	trans	-65.6	-34.1	177.9	-60.4	93.3	146.3	0	0	111.9	Y182 L189 H196	Y182-E192 HydrophobicContact CE1-CB 3.77Å; L189-E192 WeakPolarHBondContact CA-OE2 3.35Å; L189-E192 HydrophobicContact CB-CB 4.33Å; L189-E192 WeakPolarHBondContact CB-OE2 3.36Å; E192-H196 VanDerWaalsContact O-CB 3.28Å; E192-H196 WeakPolarHBondContact O-CB 3.09Å; E192-H196 PolarHBondContact O-N 3.36Å
193	R	88.4	Confident	84.3	Confident	66 Å²	66	75 Å²	75	25%	0.249	40%	0.401	C	S	.	.	H	α-helix	trans	-60.6	-50	172.3	179.5	-163.3	68.2	-154.2	-6.2	110.8	I178 Y182 L189 S190 E191 H196 I197	I178-R193 HydrophobicContact CG2-CG 4.45Å; Y182-R193 HydrophobicContact CD1-CB 3.69Å; Y182-R193 HydrophobicContact CD2-CB 4.28Å; Y182-R193 HydrophobicContact CD2-CG 4.33Å; Y182-R193 HydrophobicContact CE1-CB 4.38Å; Y182-R193 HydrophobicContact CG-CB 3.63Å; Y182-R193 HydrophobicContact CG-CG 3.98Å; L189-R193 VanDerWaalsContact O-CB 3.27Å; L189-R193 WeakPolarHBondContact O-CB 3.44Å; L189-R193 PolarHBondContact O-N 3.15Å; S190-R193 WeakPolarHBondContact O-CB 3.38Å; S190-R193 PolarHBondContact O-N 3.26Å; E191-R193 VanDerWaalsContact C-N 3.29Å; E191-R193 PolarHBondContact O-N 3.26Å; R193-H196 PolarHBondContact O-N 3.49Å; R193-I197 HydrophobicContact CG-CD1 3.97Å; R193-I197 WeakPolarHBondContact O-CG1 3.4Å; R193-I197 PolarHBondContact O-N 3.04Å
194	D	88.9	Confident	84.5	Confident	79 Å²	79	72.6 Å²	72.6	42%	0.422	37%	0.374	S	S	.	.	H	α-helix	trans	-69.4	-39.7	-174	-66.3	-16.3	0	0	0	110.6	S190 E191 H196 I197 E198	S190-D194 WeakPolarHBondContact O-CB 3.38Å; S190-D194 PolarHBondContact O-N 3.32Å; E191-D194 PolarHBondContact O-N 3Å; D194-H196 PolarHBondContact O-N 3.13Å; D194-I197 PolarHBondContact O-N 3.16Å; D194-E198 WeakPolarHBondContact O-CB 3.5Å; D194-E198 PolarHBondContact O-N 2.84Å
195	Q	88.8	Confident	85	Confident	125 Å²	125	72.9 Å²	72.9	58%	0.584	38%	0.38	S	S	*	.	H	α-helix	trans	-59.8	-42.3	170.3	-71.3	174.6	9.1	0	0	112.6	E191 E198 C199	E191-Q195 WeakPolarHBondContact O-CB 3.26Å; E191-Q195 WeakPolarHBondContact O-CG 3.41Å; E191-Q195 PolarHBondContact O-N 3.36Å; Q195-E198 PolarHBondContact O-N 3.36Å; Q195-C199 WeakPolarHBondContact O-CB 3.39Å; Q195-C199 PolarHBondContact O-N 3.33Å
196	H	89	Confident	85.7	Confident	20 Å²	20	74.9 Å²	74.9	9%	0.093	39%	0.394	C	S	.	.	H	α-helix	trans	-64.4	-44.4	177	-169	161.7	0	0	0	111	I178 Y182 E192 R193 D194 E198 C199 L200 H274	I178-H196 HydrophobicContact CG2-CB 4.38Å; Y182-H196 HydrophobicContact CE2-CB 4.49Å; Y182-H196 AromaticContact CE2-ND1 3.5Å; Y182-H196 WeakPolarHBondContact CE2-ND1 3.29Å; Y182-H196 AromaticContact CZ-ND1 3.71Å; Y182-H196 PolarHBondContact OH-ND1 3.03Å; Y182-H196 VanDerWaalsContact OH-ND1 3.09Å; E192-H196 VanDerWaalsContact O-CB 3.28Å; E192-H196 WeakPolarHBondContact O-CB 3.09Å; E192-H196 PolarHBondContact O-N 3.36Å; R193-H196 PolarHBondContact O-N 3.49Å; D194-H196 PolarHBondContact O-N 3.13Å; H196-E198 VanDerWaalsContact C-N 3.35Å; H196-E198 PolarHBondContact O-N 2.93Å; H196-C199 PolarHBondContact O-N 2.78Å; H196-L200 WeakPolarHBondContact O-CB 3.37Å; H196-L200 PolarHBondContact O-N 3.46Å; H196-H274 AromaticContact CD2-ND1 3.91Å; H196-H274 AromaticContact NE2-ND1 3.83Å
197	I	88.9	Confident	86.3	Confident	8 Å²	8	69.3 Å²	69.3	4%	0.041	36%	0.356	C	S	.	.	H	α-helix	trans	-61.7	-43.6	176.8	-70.8	167.9	0	0	0	111	E175 I178 K179 R193 D194 L200 R201	E175-I197 HydrophobicContact CG-CD1 4.31Å; E175-I197 HydrophobicContact CG-CG1 4.12Å; E175-I197 HydrophobicContact CG-CG2 3.78Å; I178-I197 HydrophobicContact CG2-CD1 4.49Å; I178-I197 HydrophobicContact CG2-CG1 3.94Å; K179-I197 HydrophobicContact CD-CD1 4.36Å; K179-I197 HydrophobicContact CG-CD1 3.56Å; R193-I197 HydrophobicContact CG-CD1 3.97Å; R193-I197 WeakPolarHBondContact O-CG1 3.4Å; R193-I197 PolarHBondContact O-N 3.04Å; D194-I197 PolarHBondContact O-N 3.16Å; I197-L200 PolarHBondContact O-N 3.15Å; I197-R201 HydrophobicContact CG2-CG 4.49Å; I197-R201 WeakPolarHBondContact O-CG 3.31Å; I197-R201 PolarHBondContact O-N 3.48Å
198	E	90.6	Very high	86.5	Confident	138 Å²	138	66 Å²	66	65%	0.645	33%	0.332	S	S	*	.	H	α-helix	trans	-62.1	-46.4	177.3	-173.7	173.3	-169.5	0	0	111.5	D194 Q195 H196 L200 R201 H202	D194-E198 WeakPolarHBondContact O-CB 3.5Å; D194-E198 PolarHBondContact O-N 2.84Å; Q195-E198 PolarHBondContact O-N 3.36Å; H196-E198 VanDerWaalsContact C-N 3.35Å; H196-E198 PolarHBondContact O-N 2.93Å; E198-L200 PolarHBondContact O-N 3.08Å; E198-R201 PolarHBondContact O-N 3.22Å; E198-H202 WeakPolarHBondContact O-CB 3.42Å; E198-H202 PolarHBondContact O-N 3.44Å
199	C	89.1	Confident	87	Confident	43 Å²	43	65.3 Å²	65.3	29%	0.291	32%	0.321	S	S	.	.	H	α-helix	trans	-61	-43.4	176.3	-169.9	0	0	0	0	112	Q195 H196 R201 H202 Q203 H274	Q195-C199 WeakPolarHBondContact O-CB 3.39Å; Q195-C199 PolarHBondContact O-N 3.33Å; H196-C199 PolarHBondContact O-N 2.78Å; C199-R201 PolarHBondContact O-N 3.08Å; C199-H202 PolarHBondContact O-N 3.22Å; C199-Q203 WeakPolarHBondContact O-CB 3.13Å; C199-Q203 WeakPolarHBondContact O-CG 3.4Å; C199-Q203 PolarHBondContact O-N 2.98Å; C199-H274 PolarHBondContact SG-CE1 2.86Å; C199-H274 PolarHBondContact SG-NE2 3.19Å
200	L	86.7	Confident	87.1	Confident	10 Å²	10	68.2 Å²	68.2	5%	0.052	33%	0.334	C	S	.	.	H	α-helix	trans	-59.6	-45.4	175.5	173.9	63.5	0	0	0	111.3	M171 R174 I178 H196 I197 E198 S204 L271	M171-L200 HydrophobicContact CE-CD1 3.72Å; M171-L200 HydrophobicContact CE-CD2 4.21Å; M171-L200 HydrophobicContact CE-CG 3.59Å; M171-L200 HydrophobicContact SD-CD1 4.24Å; R174-L200 HydrophobicContact CB-CD2 3.89Å; I178-L200 HydrophobicContact CD1-CD2 3.58Å; H196-L200 WeakPolarHBondContact O-CB 3.37Å; H196-L200 PolarHBondContact O-N 3.46Å; I197-L200 PolarHBondContact O-N 3.15Å; E198-L200 PolarHBondContact O-N 3.08Å; L200-S204 VanDerWaalsContact O-CB 3.27Å; L200-S204 WeakPolarHBondContact O-CB 3.33Å; L200-S204 PolarHBondContact O-N 3.39Å; L200-L271 HydrophobicContact CD1-CD1 4.14Å; L200-L271 HydrophobicContact CD1-CD2 4.24Å
201	R	88.9	Confident	86.9	Confident	117 Å²	117	66.1 Å²	66.1	44%	0.442	32%	0.318	S	S	.	.	H	α-helix	trans	-64	-43.2	177.6	-73.9	173.3	-180	173.3	1.2	111.8	E175 I197 E198 C199 S204 N205	E175-R201 IonicContact OE1-CZ 3.86Å; E175-R201 IonicContact OE1-NE 3.43Å; E175-R201 IonicContact OE1-NH2 3.48Å; E175-R201 PolarHBondContact OE1-NH2 2.84Å; E175-R201 IonicContact OE2-CZ 3.4Å; E175-R201 IonicContact OE2-NE 3.44Å; E175-R201 PolarHBondContact OE2-NE 3.27Å; E175-R201 IonicContact OE2-NH2 2.78Å; E175-R201 PolarHBondContact OE2-NH2 3.17Å; I197-R201 HydrophobicContact CG2-CG 4.49Å; I197-R201 WeakPolarHBondContact O-CG 3.31Å; I197-R201 PolarHBondContact O-N 3.48Å; E198-R201 PolarHBondContact O-N 3.22Å; C199-R201 PolarHBondContact O-N 3.08Å; R201-S204 WeakPolarHBondContact O-CB 3.27Å; R201-S204 PolarHBondContact O-N 3.41Å; R201-N205 WeakPolarHBondContact O-CB 3.42Å; R201-N205 VanDerWaalsContact O-CG 3.24Å; R201-N205 PolarHBondContact O-N 3.21Å; R201-N205 PolarHBondContact O-ND2 2.87Å
202	H	89.2	Confident	86.7	Confident	127 Å²	127	65.3 Å²	65.3	59%	0.588	31%	0.309	S	S	*	.	H	α-helix	trans	-61.7	-53.1	177.2	-179.5	74	0	0	0	111.4	E198 C199 S204 N205 T206	E198-H202 WeakPolarHBondContact O-CB 3.42Å; E198-H202 PolarHBondContact O-N 3.44Å; C199-H202 PolarHBondContact O-N 3.22Å; H202-S204 VanDerWaalsContact C-N 3.27Å; H202-S204 PolarHBondContact O-N 2.94Å; H202-N205 PolarHBondContact O-N 2.9Å; H202-N205 VanDerWaalsContact O-N 3.15Å; H202-T206 PolarHBondContact O-N 3.29Å; H202-T206 PolarHBondContact O-OG1 2.94Å
203	Q	87	Confident	86.7	Confident	37 Å²	37	68 Å²	68	17%	0.173	32%	0.319	C	S	.	.	H	α-helix	trans	-55.8	-43.6	177.4	-73.2	-179.1	2.9	0	0	111.7	C199 T206 T207 L271 H274	C199-Q203 WeakPolarHBondContact O-CB 3.13Å; C199-Q203 WeakPolarHBondContact O-CG 3.4Å; C199-Q203 PolarHBondContact O-N 2.98Å; Q203-T206 PolarHBondContact O-N 2.93Å; Q203-T207 WeakPolarHBondContact O-CB 3.27Å; Q203-T207 PolarHBondContact O-N 3.44Å; Q203-T207 PolarHBondContact O-OG1 3.09Å; Q203-L271 HydrophobicContact CB-CD2 4.18Å; Q203-H274 PolarHBondContact NE2-CE1 3.12Å; Q203-H274 PolarHBondContact NE2-NE2 3.01Å
204	S	83.9	Confident	86.5	Confident	8 Å²	8	65.9 Å²	65.9	6%	0.056	32%	0.315	C	S	.	.	H	α-helix	trans	-61.6	-43.8	177.1	174.3	0	0	0	0	114.4	W167 M171 L200 R201 H202 T206 T207 L208	W167-S204 PolarHBondContact NE1-OG 2.88Å; M171-S204 VanDerWaalsContact CE-OG 3.3Å; M171-S204 WeakPolarHBondContact CE-OG 3.39Å; M171-S204 VanDerWaalsContact CG-OG 3.28Å; M171-S204 WeakPolarHBondContact CG-OG 3.42Å; M171-S204 WeakPolarHBondContact SD-CB 3.33Å; M171-S204 PolarHBondContact SD-OG 3.42Å; L200-S204 VanDerWaalsContact O-CB 3.27Å; L200-S204 WeakPolarHBondContact O-CB 3.33Å; L200-S204 PolarHBondContact O-N 3.39Å; R201-S204 WeakPolarHBondContact O-CB 3.27Å; R201-S204 PolarHBondContact O-N 3.41Å; H202-S204 VanDerWaalsContact C-N 3.27Å; H202-S204 PolarHBondContact O-N 2.94Å; S204-T206 VanDerWaalsContact C-N 3.31Å; S204-T207 PolarHBondContact O-N 3.4Å; S204-L208 VanDerWaalsContact O-CB 3.23Å; S204-L208 WeakPolarHBondContact O-CB 3.49Å; S204-L208 PolarHBondContact O-N 3.16Å
205	N	86.9	Confident	86.2	Confident	103 Å²	103	64.5 Å²	64.5	55%	0.551	31%	0.306	S	S	*	.	H	α-helix	trans	-66.3	-39.8	-179.5	-72.1	-16.9	0	0	0	110.2	R201 H202 L208 E209	R201-N205 WeakPolarHBondContact O-CB 3.42Å; R201-N205 VanDerWaalsContact O-CG 3.24Å; R201-N205 PolarHBondContact O-N 3.21Å; R201-N205 PolarHBondContact O-ND2 2.87Å; H202-N205 PolarHBondContact O-N 2.9Å; H202-N205 VanDerWaalsContact O-N 3.15Å; N205-L208 PolarHBondContact O-N 3.23Å; N205-E209 PolarHBondContact O-N 3.43Å
206	T	88.5	Confident	86	Confident	62 Å²	62	61.3 Å²	61.3	38%	0.38	30%	0.301	S	S	.	.	H	α-helix	trans	-60.5	-50.3	172.8	-55.6	0	0	0	0	111.4	H202 Q203 S204 L208 E209 E210	H202-T206 PolarHBondContact O-N 3.29Å; H202-T206 PolarHBondContact O-OG1 2.94Å; Q203-T206 PolarHBondContact O-N 2.93Å; S204-T206 VanDerWaalsContact C-N 3.31Å; T206-L208 VanDerWaalsContact C-N 3.31Å; T206-L208 PolarHBondContact O-N 2.96Å; T206-E209 PolarHBondContact O-N 3.42Å; T206-E210 WeakPolarHBondContact O-CG 3.25Å; T206-E210 PolarHBondContact O-N 3.18Å
207	T	83.8	Confident	85.8	Confident	11 Å²	11	63.9 Å²	63.9	7%	0.067	32%	0.318	C	S	.	.	H	α-helix	trans	-61.4	-38.6	177.2	-61.8	0	0	0	0	112.4	W167 Q203 S204 E209 E210 L211 M267 P269	W167-T207 HydrophobicContact CH2-CG2 3.65Å; W167-T207 HydrophobicContact CZ2-CG2 3.56Å; W167-T207 HydrophobicContact CZ3-CG2 4.43Å; Q203-T207 WeakPolarHBondContact O-CB 3.27Å; Q203-T207 PolarHBondContact O-N 3.44Å; Q203-T207 PolarHBondContact O-OG1 3.09Å; S204-T207 PolarHBondContact O-N 3.4Å; T207-E209 VanDerWaalsContact C-N 3.32Å; T207-E209 PolarHBondContact O-N 2.94Å; T207-E210 PolarHBondContact O-N 2.98Å; T207-L211 HydrophobicContact CG2-CD1 4.3Å; T207-L211 VanDerWaalsContact O-CG 3.3Å; T207-L211 WeakPolarHBondContact O-CG 3.33Å; T207-L211 PolarHBondContact O-N 2.91Å; T207-M267 HydrophobicContact CG2-CE 3.86Å; T207-P269 HydrophobicContact CG2-CB 3.24Å
208	L	82.9	Confident	85.5	Confident	27 Å²	27	63.5 Å²	63.5	14%	0.141	32%	0.316	C	S	.	.	H	α-helix	trans	-64.3	-38.4	176.8	-179.5	63.7	0	0	0	111.9	T164 S204 N205 T206 L211 R212	T164-L208 HydrophobicContact CG2-CD1 3.59Å; S204-L208 VanDerWaalsContact O-CB 3.23Å; S204-L208 WeakPolarHBondContact O-CB 3.49Å; S204-L208 PolarHBondContact O-N 3.16Å; N205-L208 PolarHBondContact O-N 3.23Å; T206-L208 VanDerWaalsContact C-N 3.31Å; T206-L208 PolarHBondContact O-N 2.96Å; L208-L211 PolarHBondContact O-N 3Å; L208-R212 WeakPolarHBondContact O-CG 3.24Å; L208-R212 PolarHBondContact O-N 3.37Å
209	E	85.9	Confident	85.1	Confident	84 Å²	84	59.3 Å²	59.3	39%	0.393	30%	0.3	S	S	.	.	H	α-helix	trans	-67.9	-40.1	176.5	-174.9	57	-155.1	0	0	111.7	N205 T206 T207 R212 K213	N205-E209 PolarHBondContact O-N 3.43Å; T206-E209 PolarHBondContact O-N 3.42Å; T207-E209 VanDerWaalsContact C-N 3.32Å; T207-E209 PolarHBondContact O-N 2.94Å; E209-R212 PolarHBondContact O-N 2.78Å; E209-K213 WeakPolarHBondContact O-CG 3.4Å; E209-K213 PolarHBondContact O-N 3.27Å; E209-K213 WeakPolarHBondContact OE1-CE 3.35Å
210	E	84.8	Confident	85	Confident	95 Å²	95	62.5 Å²	62.5	44%	0.444	31%	0.31	S	S	.	.	H	α-helix	trans	-63.8	-42	173.1	-67.9	174.5	162.8	0	0	111.9	T206 T207 R212 K213 S214 M267	T206-E210 WeakPolarHBondContact O-CG 3.25Å; T206-E210 PolarHBondContact O-N 3.18Å; T207-E210 PolarHBondContact O-N 2.98Å; E210-R212 PolarHBondContact O-N 2.97Å; E210-K213 PolarHBondContact O-N 2.77Å; E210-S214 PolarHBondContact O-N 2.9Å; E210-M267 VanDerWaalsContact C-SD 3.51Å; E210-M267 HydrophobicContact CB-CE 3.47Å; E210-M267 VanDerWaalsContact CB-CE 3.47Å; E210-M267 HydrophobicContact CB-SD 3.4Å; E210-M267 WeakPolarHBondContact CB-SD 3.3Å; E210-M267 HydrophobicContact CG-CE 4.34Å; E210-M267 WeakPolarHBondContact OE2-CE 3.46Å
211	L	80.4	Confident	84.8	Confident	10 Å²	10	64.2 Å²	64.2	5%	0.052	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-44	174.8	-74.4	171	0	0	0	111.5	E161 T207 L208 K213 S214 E215 M267 P269	E161-L211 WeakPolarHBondContact OE1-CD2 3.47Å; T207-L211 HydrophobicContact CG2-CD1 4.3Å; T207-L211 VanDerWaalsContact O-CG 3.3Å; T207-L211 WeakPolarHBondContact O-CG 3.33Å; T207-L211 PolarHBondContact O-N 2.91Å; L208-L211 PolarHBondContact O-N 3Å; L211-K213 VanDerWaalsContact C-N 3.33Å; L211-K213 PolarHBondContact O-N 3.1Å; L211-S214 PolarHBondContact O-N 3.07Å; L211-E215 WeakPolarHBondContact O-CB 3.33Å; L211-E215 PolarHBondContact O-N 3.4Å; L211-M267 HydrophobicContact CB-SD 4.45Å; L211-M267 HydrophobicContact CD2-CB 4.15Å; L211-M267 HydrophobicContact CD2-CG 4.28Å; L211-M267 HydrophobicContact CD2-SD 3.82Å; L211-M267 HydrophobicContact CG-SD 3.89Å; L211-M267 PolarHBondContact N-SD 3.07Å; L211-M267 VanDerWaalsContact N-SD 3.43Å; L211-P269 HydrophobicContact CD1-CB 4.27Å; L211-P269 HydrophobicContact CD1-CG 4.34Å; L211-P269 HydrophobicContact CD2-CB 4.4Å; L211-P269 HydrophobicContact CD2-CG 4.22Å
212	R	83.1	Confident	84.6	Confident	132 Å²	132	60 Å²	60	50%	0.498	30%	0.302	S	S	.	.	H	α-helix	trans	-62.3	-40.2	176.4	-76.2	171.6	174.4	177.1	-2.7	112.3	L208 E209 E210 A216	L208-R212 WeakPolarHBondContact O-CG 3.24Å; L208-R212 PolarHBondContact O-N 3.37Å; E209-R212 PolarHBondContact O-N 2.78Å; E210-R212 PolarHBondContact O-N 2.97Å; R212-A216 WeakPolarHBondContact O-CB 3.2Å; R212-A216 PolarHBondContact O-N 3Å
213	K	85.8	Confident	84.5	Confident	125 Å²	125	58.1 Å²	58.1	54%	0.543	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-44.5	175.2	-72.9	171.5	-177.5	173.6	0	111	E209 E210 L211 A216 T217	E209-K213 WeakPolarHBondContact O-CG 3.4Å; E209-K213 PolarHBondContact O-N 3.27Å; E209-K213 WeakPolarHBondContact OE1-CE 3.35Å; E210-K213 PolarHBondContact O-N 2.77Å; L211-K213 VanDerWaalsContact C-N 3.33Å; L211-K213 PolarHBondContact O-N 3.1Å; K213-A216 PolarHBondContact O-N 3.11Å; K213-T217 PolarHBondContact O-N 3.33Å; K213-T217 PolarHBondContact O-OG1 3.3Å
214	S	83.8	Confident	84.4	Confident	22 Å²	22	61 Å²	61	15%	0.154	31%	0.31	C	S	.	.	H	α-helix	trans	-60.1	-48.5	175.4	-170.1	0	0	0	0	111.5	E210 L211 A216 T217 I218	E210-S214 PolarHBondContact O-N 2.9Å; L211-S214 PolarHBondContact O-N 3.07Å; S214-A216 VanDerWaalsContact C-N 3.34Å; S214-A216 PolarHBondContact O-N 3.5Å; S214-T217 PolarHBondContact O-N 3.41Å; S214-I218 VanDerWaalsContact O-CG1 3.27Å; S214-I218 WeakPolarHBondContact O-CG1 3.3Å; S214-I218 PolarHBondContact O-N 2.92Å
215	E	82.6	Confident	84.6	Confident	50 Å²	50	60.9 Å²	60.9	23%	0.234	31%	0.309	C	S	.	.	H	α-helix	trans	-55.4	-48.2	175	-176.9	-178	-174	0	0	111.1	E161 L211 T217 I218 V219	E161-E215 HydrophobicContact CG-CB 4Å; L211-E215 WeakPolarHBondContact O-CB 3.33Å; L211-E215 PolarHBondContact O-N 3.4Å; E215-T217 PolarHBondContact O-N 2.92Å; E215-I218 PolarHBondContact O-N 3.45Å; E215-V219 HydrophobicContact CG-CG2 4.39Å; E215-V219 WeakPolarHBondContact O-CB 3.21Å; E215-V219 VanDerWaalsContact O-CG2 3.27Å; E215-V219 WeakPolarHBondContact O-CG2 3.28Å; E215-V219 PolarHBondContact O-N 3.17Å
216	A	85	Confident	84.6	Confident	59 Å²	59	56 Å²	56	49%	0.488	28%	0.283	S	S	.	.	H	α-helix	trans	-61.2	-41.8	179.1	0	0	0	0	0	112.4	R212 K213 S214 H220	R212-A216 WeakPolarHBondContact O-CB 3.2Å; R212-A216 PolarHBondContact O-N 3Å; K213-A216 PolarHBondContact O-N 3.11Å; S214-A216 VanDerWaalsContact C-N 3.34Å; S214-A216 PolarHBondContact O-N 3.5Å; A216-H220 VanDerWaalsContact O-CB 3.27Å; A216-H220 WeakPolarHBondContact O-CB 3.45Å; A216-H220 PolarHBondContact O-N 3.08Å
217	T	85	Confident	84.6	Confident	73 Å²	73	57.2 Å²	57.2	45%	0.448	28%	0.284	S	S	.	.	H	α-helix	trans	-62.8	-48.1	175	-63	0	0	0	0	111.4	K213 S214 E215 V219 H220 E221	K213-T217 PolarHBondContact O-N 3.33Å; K213-T217 PolarHBondContact O-OG1 3.3Å; S214-T217 PolarHBondContact O-N 3.41Å; E215-T217 PolarHBondContact O-N 2.92Å; T217-V219 VanDerWaalsContact C-N 3.34Å; T217-V219 PolarHBondContact O-N 3.45Å; T217-H220 PolarHBondContact O-N 3.4Å; T217-E221 WeakPolarHBondContact O-CG 3.22Å; T217-E221 PolarHBondContact O-N 3.34Å
218	I	80.9	Confident	85	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-60.6	-44.9	179.4	-64.2	161.8	0	0	0	110.6	V158 E161 S214 E215 R222 P264	V158-I218 HydrophobicContact CG2-CG2 3.51Å; E161-I218 HydrophobicContact CB-CD1 4.33Å; E161-I218 HydrophobicContact CG-CD1 4.17Å; S214-I218 VanDerWaalsContact O-CG1 3.27Å; S214-I218 WeakPolarHBondContact O-CG1 3.3Å; S214-I218 PolarHBondContact O-N 2.92Å; E215-I218 PolarHBondContact O-N 3.45Å; I218-R222 VanDerWaalsContact O-CB 3.31Å; I218-R222 WeakPolarHBondContact O-CB 3.4Å; I218-R222 PolarHBondContact O-N 3.48Å; I218-P264 HydrophobicContact CB-CG 4.43Å; I218-P264 HydrophobicContact CG1-CB 3.69Å; I218-P264 HydrophobicContact CG1-CG 3.84Å; I218-P264 HydrophobicContact CG2-CG 4.24Å
219	V	83.1	Confident	85.3	Confident	50 Å²	50	56.2 Å²	56.2	30%	0.303	28%	0.278	S	S	.	.	H	α-helix	trans	-64.3	-41.4	177.9	170.1	0	0	0	0	111	V158 E215 T217 R222 N223	V158-V219 HydrophobicContact CG1-CG2 4.38Å; V158-V219 HydrophobicContact CG2-CG2 4.22Å; E215-V219 HydrophobicContact CG-CG2 4.39Å; E215-V219 WeakPolarHBondContact O-CB 3.21Å; E215-V219 VanDerWaalsContact O-CG2 3.27Å; E215-V219 WeakPolarHBondContact O-CG2 3.28Å; E215-V219 PolarHBondContact O-N 3.17Å; T217-V219 VanDerWaalsContact C-N 3.34Å; T217-V219 PolarHBondContact O-N 3.45Å; V219-R222 PolarHBondContact O-N 3.45Å; V219-N223 PolarHBondContact O-N 3.08Å; V219-N223 PolarHBondContact O-ND2 3.1Å; V219-N223 PolarHBondContact O-OD1 3.47Å
220	H	86.4	Confident	85.4	Confident	109 Å²	109	56.9 Å²	56.9	51%	0.505	28%	0.277	S	S	.	.	H	α-helix	trans	-62.6	-50.2	177.7	-178	71.8	0	0	0	112.1	A216 T217 R222 N223 Q224	A216-H220 VanDerWaalsContact O-CB 3.27Å; A216-H220 WeakPolarHBondContact O-CB 3.45Å; A216-H220 PolarHBondContact O-N 3.08Å; T217-H220 PolarHBondContact O-N 3.4Å; H220-R222 VanDerWaalsContact C-N 3.29Å; H220-R222 PolarHBondContact O-N 3.45Å; H220-N223 PolarHBondContact O-N 3.38Å; H220-Q224 PolarHBondContact NE2-NE2 3.44Å; H220-Q224 WeakPolarHBondContact O-CG 3.38Å; H220-Q224 PolarHBondContact O-N 3.16Å; H220-Q224 VanDerWaalsContact O-N 3.11Å
221	E	84.1	Confident	85.7	Confident	47 Å²	47	55.1 Å²	55.1	22%	0.22	27%	0.269	C	S	.	.	H	α-helix	trans	-59.7	-40.7	176.9	-72.5	178	-178.5	0	0	112	T217 Q224 L225 P264	T217-E221 WeakPolarHBondContact O-CG 3.22Å; T217-E221 PolarHBondContact O-N 3.34Å; E221-Q224 WeakPolarHBondContact O-CB 3.01Å; E221-Q224 PolarHBondContact O-N 3.32Å; E221-L225 WeakPolarHBondContact O-CG 3.17Å; E221-L225 PolarHBondContact O-N 2.79Å; E221-L225 VanDerWaalsContact O-N 3.11Å; E221-P264 WeakPolarHBondContact OE2-CD 3.05Å; E221-P264 WeakPolarHBondContact OE2-CG 3.02Å
222	R	84.5	Confident	86.1	Confident	27 Å²	27	54.6 Å²	54.6	10%	0.102	27%	0.266	C	S	.	.	H	α-helix	trans	-60.6	-47.5	174.8	-176.8	-159.4	171.9	137.7	-1.7	111.4	E45 L151 Q154 Q155 I218 V219 H220 Q224 L225 T226	E45-R222 IonicContact OE1-NE 3.4Å; E45-R222 IonicContact OE1-NH2 3.88Å; L151-R222 HydrophobicContact CD2-CG 3.76Å; Q154-R222 VanDerWaalsContact OE1-CA 3.23Å; Q155-R222 VanDerWaalsContact CD-NH1 3.28Å; I218-R222 VanDerWaalsContact O-CB 3.31Å; I218-R222 WeakPolarHBondContact O-CB 3.4Å; I218-R222 PolarHBondContact O-N 3.48Å; V219-R222 PolarHBondContact O-N 3.45Å; H220-R222 VanDerWaalsContact C-N 3.29Å; H220-R222 PolarHBondContact O-N 3.45Å; R222-Q224 PolarHBondContact O-N 3.47Å; R222-L225 WeakPolarHBondContact O-CA 3.4Å; R222-L225 WeakPolarHBondContact O-CB 3.49Å; R222-L225 PolarHBondContact O-N 3.28Å; R222-T226 PolarHBondContact O-N 2.83Å; R222-T226 PolarHBondContact O-OG1 3.46Å
223	N	85.8	Confident	86.3	Confident	89 Å²	89	49.1 Å²	49.1	48%	0.476	25%	0.247	S	C	.	.	H	α-helix	trans	-59.8	-37.5	-179.9	-70	-15.8	0	0	0	111.7	V219 H220 T226 E227	V219-N223 PolarHBondContact O-N 3.08Å; V219-N223 PolarHBondContact O-ND2 3.1Å; V219-N223 PolarHBondContact O-OD1 3.47Å; H220-N223 PolarHBondContact O-N 3.38Å; N223-T226 PolarHBondContact O-N 3.2Å; N223-E227 PolarHBondContact O-N 2.89Å
224	Q	86.4	Confident	86.4	Confident	97 Å²	97	47.1 Å²	47.1	45%	0.453	25%	0.245	S	C	.	.	H	α-helix	trans	-62.6	-42.4	173.4	-66.2	179.3	-12.3	0	0	112.1	H220 E221 R222 E227 V228	H220-Q224 PolarHBondContact NE2-NE2 3.44Å; H220-Q224 WeakPolarHBondContact O-CG 3.38Å; H220-Q224 PolarHBondContact O-N 3.16Å; H220-Q224 VanDerWaalsContact O-N 3.11Å; E221-Q224 WeakPolarHBondContact O-CB 3.01Å; E221-Q224 PolarHBondContact O-N 3.32Å; R222-Q224 PolarHBondContact O-N 3.47Å; Q224-E227 PolarHBondContact O-N 3.43Å; Q224-V228 PolarHBondContact O-N 3.48Å
225	L	87.3	Confident	86.6	Confident	5 Å²	5	47 Å²	47	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-65.3	-43.3	176.6	-74	163.3	0	0	0	111.9	L147 R150 L151 E221 R222 E227 V228 Y229 A258	L147-L225 HydrophobicContact CD2-CD2 3.57Å; R150-L225 HydrophobicContact CG-CD1 4.17Å; L151-L225 HydrophobicContact CD2-CB 3.72Å; L151-L225 HydrophobicContact CG-CB 4.25Å; E221-L225 WeakPolarHBondContact O-CG 3.17Å; E221-L225 PolarHBondContact O-N 2.79Å; E221-L225 VanDerWaalsContact O-N 3.11Å; R222-L225 WeakPolarHBondContact O-CA 3.4Å; R222-L225 WeakPolarHBondContact O-CB 3.49Å; R222-L225 PolarHBondContact O-N 3.28Å; L225-E227 VanDerWaalsContact C-N 3.27Å; L225-E227 PolarHBondContact O-N 2.65Å; L225-V228 PolarHBondContact O-N 3.43Å; L225-Y229 WeakPolarHBondContact O-CB 3.35Å; L225-Y229 PolarHBondContact O-N 2.96Å; L225-A258 HydrophobicContact CD2-CB 3.5Å; L225-A258 VanDerWaalsContact CD2-CB 3.5Å
226	T	86.8	Confident	86.6	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-59.2	-40.1	175.4	-63.9	0	0	0	0	110.7	L42 E45 L151 R222 N223 Y229 R230	L42-T226 HydrophobicContact CD2-CG2 3.64Å; E45-T226 WeakPolarHBondContact OE1-CG2 3.27Å; E45-T226 PolarHBondContact OE1-OG1 3.27Å; E45-T226 WeakPolarHBondContact OE2-CG2 3.43Å; L151-T226 WeakPolarHBondContact CD2-OG1 3.4Å; R222-T226 PolarHBondContact O-N 2.83Å; R222-T226 PolarHBondContact O-OG1 3.46Å; N223-T226 PolarHBondContact O-N 3.2Å; T226-Y229 WeakPolarHBondContact O-CB 3.35Å; T226-Y229 PolarHBondContact O-N 3.32Å; T226-R230 VanDerWaalsContact CG2-CZ 3.45Å; T226-R230 VanDerWaalsContact CG2-NH2 3.34Å; T226-R230 WeakPolarHBondContact O-CG 3.43Å; T226-R230 PolarHBondContact O-N 3.4Å
227	E	89.5	Confident	86.6	Confident	88 Å²	88	44.3 Å²	44.3	41%	0.411	22%	0.219	S	C	.	.	H	α-helix	trans	-66.4	-47.6	179.4	-167.1	56.8	-154.2	0	0	112.4	N223 Q224 L225 Y229 R230 E231	N223-E227 PolarHBondContact O-N 2.89Å; Q224-E227 PolarHBondContact O-N 3.43Å; L225-E227 VanDerWaalsContact C-N 3.27Å; L225-E227 PolarHBondContact O-N 2.65Å; E227-Y229 PolarHBondContact O-N 2.94Å; E227-R230 WeakPolarHBondContact O-CB 3.21Å; E227-R230 PolarHBondContact O-N 3.03Å; E227-R230 VanDerWaalsContact O-N 3.08Å; E227-R230 IonicContact OE2-NH1 3.65Å; E227-R230 PolarHBondContact OE2-NH1 2.95Å; E227-R230 VanDerWaalsContact OE2-NH1 3.09Å; E227-E231 PolarHBondContact O-N 3.25Å
228	V	90.9	Very high	86.6	Confident	10 Å²	10	45.8 Å²	45.8	6%	0.061	22%	0.217	C	C	.	.	H	α-helix	trans	-60.3	-36.1	174.2	179.1	0	0	0	0	111.1	L147 Q224 L225 E231 L232 L251	L147-V228 HydrophobicContact CD1-CB 4.39Å; L147-V228 HydrophobicContact CD1-CG1 3.88Å; Q224-V228 PolarHBondContact O-N 3.48Å; L225-V228 PolarHBondContact O-N 3.43Å; V228-E231 PolarHBondContact O-N 2.89Å; V228-L232 HydrophobicContact CG1-CD1 4.36Å; V228-L232 WeakPolarHBondContact O-CG 3.47Å; V228-L232 PolarHBondContact O-N 3.25Å; V228-L251 HydrophobicContact CG1-CD1 4.24Å
229	Y	88.9	Confident	86.9	Confident	6 Å²	6	48.5 Å²	48.5	2%	0.024	23%	0.234	C	C	.	.	H	α-helix	trans	-65.6	-40.4	175.6	-171.1	-95.5	0	0	0	112.3	A38 M144 L147 W148 L151 L225 T226 E227 L232 M233	A38-Y229 WeakPolarHBondContact CA-OH 3.34Å; A38-Y229 HydrophobicContact CB-CE1 3.61Å; A38-Y229 WeakPolarHBondContact CB-OH 2.91Å; M144-Y229 HydrophobicContact CB-CE2 3.91Å; M144-Y229 HydrophobicContact CE-CE1 4.26Å; M144-Y229 HydrophobicContact CE-CE2 3.99Å; M144-Y229 HydrophobicContact CG-CE2 4.33Å; M144-Y229 WeakPolarHBondContact O-CE2 3.49Å; L147-Y229 HydrophobicContact CB-CD2 4.05Å; W148-Y229 HydrophobicContact CB-CE2 4.21Å; L151-Y229 HydrophobicContact CD1-CD2 4.49Å; L151-Y229 HydrophobicContact CD1-CG 4.25Å; L225-Y229 WeakPolarHBondContact O-CB 3.35Å; L225-Y229 PolarHBondContact O-N 2.96Å; T226-Y229 WeakPolarHBondContact O-CB 3.35Å; T226-Y229 PolarHBondContact O-N 3.32Å; E227-Y229 PolarHBondContact O-N 2.94Å; Y229-L232 PolarHBondContact O-N 3.01Å; Y229-M233 WeakPolarHBondContact O-CB 3.38Å; Y229-M233 PolarHBondContact O-N 3.08Å
230	R	88	Confident	87.1	Confident	99 Å²	99	47.1 Å²	47.1	37%	0.374	22%	0.224	S	C	.	.	H	α-helix	trans	-64.7	-39.9	173.8	-73.9	176.5	-167.9	142	1	112.4	L42 E45 T226 E227 M233 T234	L42-R230 HydrophobicContact CD1-CG 3.73Å; L42-R230 HydrophobicContact CD2-CG 4.05Å; E45-R230 IonicContact OE2-NH2 2.61Å; E45-R230 PolarHBondContact OE2-NH2 2.8Å; T226-R230 VanDerWaalsContact CG2-CZ 3.45Å; T226-R230 VanDerWaalsContact CG2-NH2 3.34Å; T226-R230 WeakPolarHBondContact O-CG 3.43Å; T226-R230 PolarHBondContact O-N 3.4Å; E227-R230 WeakPolarHBondContact O-CB 3.21Å; E227-R230 PolarHBondContact O-N 3.03Å; E227-R230 VanDerWaalsContact O-N 3.08Å; E227-R230 IonicContact OE2-NH1 3.65Å; E227-R230 PolarHBondContact OE2-NH1 2.95Å; E227-R230 VanDerWaalsContact OE2-NH1 3.09Å; R230-M233 PolarHBondContact O-N 3.38Å; R230-T234 WeakPolarHBondContact O-CB 3.24Å; R230-T234 PolarHBondContact O-N 3.16Å; R230-T234 PolarHBondContact O-OG1 3.46Å
231	E	90.8	Very high	87.1	Confident	57 Å²	57	43.1 Å²	43.1	27%	0.266	21%	0.206	S	C	.	.	H	α-helix	trans	-60.6	-49.5	174	-71.7	178.5	-137.2	0	0	110.8	E227 V228 M233 T234 M235 L251 R254	E227-E231 PolarHBondContact O-N 3.25Å; V228-E231 PolarHBondContact O-N 2.89Å; E231-M233 VanDerWaalsContact C-N 3.32Å; E231-M233 PolarHBondContact O-N 3.49Å; E231-T234 WeakPolarHBondContact O-CB 3.22Å; E231-T234 PolarHBondContact O-N 2.83Å; E231-M235 WeakPolarHBondContact O-CG 3.39Å; E231-M235 PolarHBondContact O-N 2.73Å; E231-L251 HydrophobicContact CB-CD1 3.76Å; E231-L251 WeakPolarHBondContact OE2-CD1 3.41Å; E231-R254 IonicContact OE1-CZ 3.93Å; E231-R254 IonicContact OE1-NH1 3.64Å; E231-R254 PolarHBondContact OE1-NH1 3.43Å; E231-R254 IonicContact OE1-NH2 2.65Å; E231-R254 PolarHBondContact OE1-NH2 2.78Å; E231-R254 IonicContact OE2-CZ 3.25Å; E231-R254 IonicContact OE2-NH1 3.89Å; E231-R254 PolarHBondContact OE2-NH1 2.79Å; E231-R254 IonicContact OE2-NH2 3.72Å; E231-R254 PolarHBondContact OE2-NH2 2.88Å
232	L	89.5	Confident	87.3	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.7	-41.4	175.7	-75.2	166.2	0	0	0	112.4	L140 H143 M144 L147 V228 Y229 M235 S236 L251 F252	L140-L232 HydrophobicContact CG-CD2 4.3Å; H143-L232 HydrophobicContact CB-CD1 4.13Å; H143-L232 HydrophobicContact CB-CD2 4.4Å; M144-L232 HydrophobicContact CG-CB 3.84Å; M144-L232 HydrophobicContact CG-CD1 4.24Å; M144-L232 HydrophobicContact SD-CB 4.43Å; L147-L232 HydrophobicContact CD1-CD1 3.54Å; V228-L232 HydrophobicContact CG1-CD1 4.36Å; V228-L232 WeakPolarHBondContact O-CG 3.47Å; V228-L232 PolarHBondContact O-N 3.25Å; Y229-L232 PolarHBondContact O-N 3.01Å; L232-M235 WeakPolarHBondContact O-CB 3.39Å; L232-M235 PolarHBondContact O-N 2.9Å; L232-S236 WeakPolarHBondContact O-CB 3.44Å; L232-S236 PolarHBondContact O-N 2.83Å; L232-L251 HydrophobicContact CD2-CD1 4.48Å; L232-L251 HydrophobicContact CD2-CD2 3.75Å; L232-L251 HydrophobicContact CD2-CG 3.85Å; L232-L251 HydrophobicContact CG-CD1 4.29Å; L232-L251 HydrophobicContact CG-CD2 4.17Å; L232-L251 HydrophobicContact CG-CG 4.2Å; L232-F252 HydrophobicContact CD2-CD1 4.05Å; L232-F252 HydrophobicContact CD2-CE1 3.87Å
233	M	86.6	Confident	87.4	Confident	17 Å²	17	42.8 Å²	42.8	8%	0.084	21%	0.205	C	C	.	.	H	α-helix	trans	-62.1	-43.4	176.4	-177	-176.9	-171.3	0	0	111.7	A38 C39 L42 M144 Y229 R230 E231 M235 S236 Q237	A38-M233 HydrophobicContact CB-CE 3.63Å; A38-M233 HydrophobicContact CB-CG 3.99Å; A38-M233 HydrophobicContact CB-SD 3.66Å; C39-M233 HydrophobicContact CB-CE 4.06Å; C39-M233 WeakPolarHBondContact SG-CE 3.3Å; L42-M233 HydrophobicContact CD1-SD 3.64Å; M144-M233 HydrophobicContact CE-CB 4.1Å; Y229-M233 WeakPolarHBondContact O-CB 3.38Å; Y229-M233 PolarHBondContact O-N 3.08Å; R230-M233 PolarHBondContact O-N 3.38Å; E231-M233 VanDerWaalsContact C-N 3.32Å; E231-M233 PolarHBondContact O-N 3.49Å; M233-M235 VanDerWaalsContact C-N 3.32Å; M233-M235 PolarHBondContact O-N 2.92Å; M233-S236 WeakPolarHBondContact O-CB 3.22Å; M233-S236 PolarHBondContact O-N 3.37Å; M233-S236 PolarHBondContact O-OG 2.72Å; M233-Q237 WeakPolarHBondContact O-CG 3.3Å; M233-Q237 PolarHBondContact O-N 3.48Å
234	T	88.1	Confident	87.4	Confident	83 Å²	83	38.9 Å²	38.9	51%	0.509	18%	0.184	S	C	.	.	H	α-helix	trans	-61.4	-43.8	176.3	-58.9	0	0	0	0	110.8	R230 E231 S236 Q237	R230-T234 WeakPolarHBondContact O-CB 3.24Å; R230-T234 PolarHBondContact O-N 3.16Å; R230-T234 PolarHBondContact O-OG1 3.46Å; E231-T234 WeakPolarHBondContact O-CB 3.22Å; E231-T234 PolarHBondContact O-N 2.83Å; T234-S236 VanDerWaalsContact C-N 3.32Å; T234-S236 PolarHBondContact O-N 3.09Å; T234-Q237 PolarHBondContact O-N 2.65Å
235	M	87.7	Confident	87.2	Confident	20 Å²	20	38 Å²	38	10%	0.099	19%	0.185	C	C	.	.	H	α-helix	trans	-61.4	-38.8	174.6	-72.7	-52.9	-45.5	0	0	113	L140 E231 L232 M233 Q237 R238 L243 Q246 L248 L251	L140-M235 HydrophobicContact CD1-CB 3.9Å; E231-M235 WeakPolarHBondContact O-CG 3.39Å; E231-M235 PolarHBondContact O-N 2.73Å; L232-M235 WeakPolarHBondContact O-CB 3.39Å; L232-M235 PolarHBondContact O-N 2.9Å; M233-M235 VanDerWaalsContact C-N 3.32Å; M233-M235 PolarHBondContact O-N 2.92Å; M235-Q237 PolarHBondContact O-N 2.75Å; M235-R238 HydrophobicContact CE-CG 4.23Å; M235-R238 WeakPolarHBondContact O-CB 3.4Å; M235-R238 PolarHBondContact O-N 2.81Å; M235-R238 VanDerWaalsContact O-N 3.14Å; M235-L243 HydrophobicContact CE-CD1 3.98Å; M235-Q246 PolarHBondContact SD-OE1 3.27Å; M235-Q246 VanDerWaalsContact SD-OE1 3.37Å; M235-L248 HydrophobicContact CE-CD1 4.07Å; M235-L248 HydrophobicContact CE-CD2 3.51Å; M235-L248 HydrophobicContact CE-CG 4.37Å; M235-L248 HydrophobicContact CG-CD2 4.08Å; M235-L248 HydrophobicContact SD-CD2 3.97Å; M235-L251 HydrophobicContact CG-CD2 3.76Å
236	S	83.6	Confident	87	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.8	-23.1	179.1	87.5	0	0	0	0	113.9	M24 R78 L232 M233 T234	M24-S236 WeakPolarHBondContact CG-OG 3.31Å; R78-S236 PolarHBondContact NH1-O 3.38Å; R78-S236 PolarHBondContact NH2-O 3.33Å; L232-S236 WeakPolarHBondContact O-CB 3.44Å; L232-S236 PolarHBondContact O-N 2.83Å; M233-S236 WeakPolarHBondContact O-CB 3.22Å; M233-S236 PolarHBondContact O-N 3.37Å; M233-S236 PolarHBondContact O-OG 2.72Å; T234-S236 VanDerWaalsContact C-N 3.32Å; T234-S236 PolarHBondContact O-N 3.09Å
237	Q	83.9	Confident	86.8	Confident	51 Å²	51	46.8 Å²	46.8	24%	0.238	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-10.5	-179.6	-66	-61.5	-30.6	0	0	113.2	I22 M233 T234 M235	I22-Q237 PolarHBondContact O-NE2 2.93Å; I22-Q237 PolarHBondContact O-OE1 2.91Å; I22-Q237 VanDerWaalsContact O-OE1 3.05Å; M233-Q237 WeakPolarHBondContact O-CG 3.3Å; M233-Q237 PolarHBondContact O-N 3.48Å; T234-Q237 PolarHBondContact O-N 2.65Å; M235-Q237 PolarHBondContact O-N 2.75Å
238	R	86.4	Confident	86.7	Confident	105 Å²	105	42.9 Å²	42.9	40%	0.396	21%	0.212	S	C	.	.	S	Bend	trans	-67.2	151.7	178.1	-67.6	-80.7	179.1	167.8	-3.1	111.3	M235 E242	M235-R238 HydrophobicContact CE-CG 4.23Å; M235-R238 WeakPolarHBondContact O-CB 3.4Å; M235-R238 PolarHBondContact O-N 2.81Å; M235-R238 VanDerWaalsContact O-N 3.14Å; R238-E242 HydrophobicContact CB-CB 4.39Å; R238-E242 VanDerWaalsContact CD-OE2 3.24Å; R238-E242 WeakPolarHBondContact CD-OE2 3.43Å; R238-E242 IonicContact CZ-OE2 3.99Å; R238-E242 IonicContact NE-OE2 3.88Å; R238-E242 IonicContact NH1-OE2 3.71Å; R238-E242 PolarHBondContact NH1-OE2 2.83Å
239	P	86.1	Confident	86.5	Confident	57 Å²	57	46.7 Å²	46.7	37%	0.37	23%	0.232	S	C	.	.			trans	-55.5	149.1	168.9	-23.8	34.4	0	0	0	111.9	Q241 E242 L243	P239-Q241 VanDerWaalsContact C-N 3.3Å; P239-Q241 PolarHBondContact O-N 2.8Å; P239-E242 PolarHBondContact O-N 2.95Å; P239-E242 VanDerWaalsContact O-N 3.07Å; P239-L243 PolarHBondContact O-N 3.35Å
240	Y	88.6	Confident	86.6	Confident	22 Å²	22	49.7 Å²	49.7	9%	0.086	25%	0.248	C	C	.	.	H	α-helix	trans	-57.4	-39.2	-174.4	-78.1	-17.1	0	0	0	114.1	R78 K79 L82 V133 M137 L243 L244	R78-Y240 HydrophobicContact CB-CD2 3.95Å; R78-Y240 HydrophobicContact CB-CE1 3.98Å; R78-Y240 HydrophobicContact CB-CE2 3.28Å; R78-Y240 WeakPolarHBondContact CB-OH 3.38Å; R78-Y240 WeakPolarHBondContact CD-OH 3.49Å; R78-Y240 HydrophobicContact CG-CE1 4.39Å; R78-Y240 HydrophobicContact CG-CE2 4.47Å; K79-Y240 HydrophobicContact CG-CE2 4.25Å; L82-Y240 HydrophobicContact CB-CD2 4.27Å; L82-Y240 HydrophobicContact CD2-CD2 4.13Å; V133-Y240 HydrophobicContact CB-CG 4.43Å; V133-Y240 HydrophobicContact CG1-CD1 3.45Å; V133-Y240 VanDerWaalsContact CG1-CD1 3.45Å; V133-Y240 HydrophobicContact CG1-CD2 3.52Å; V133-Y240 HydrophobicContact CG1-CE1 3.62Å; V133-Y240 HydrophobicContact CG1-CE2 3.7Å; V133-Y240 HydrophobicContact CG1-CG 3.36Å; V133-Y240 HydrophobicContact CG2-CD2 4.42Å; V133-Y240 HydrophobicContact CG2-CG 4.14Å; M137-Y240 HydrophobicContact CE-CD1 3.82Å; M137-Y240 HydrophobicContact CE-CE1 3.74Å; M137-Y240 HydrophobicContact CG-CE1 4Å; M137-Y240 HydrophobicContact SD-CE1 4.11Å; Y240-L243 WeakPolarHBondContact O-CB 3.41Å; Y240-L243 PolarHBondContact O-N 3.08Å; Y240-L244 PolarHBondContact O-N 3.05Å
241	Q	85.6	Confident	86.7	Confident	25 Å²	25	45.6 Å²	45.6	12%	0.117	23%	0.234	C	C	.	.	H	α-helix	trans	-65.1	-38	176.8	64.4	-82.3	16.4	0	0	113	L82 Y85 P239 L243 L244 V245	L82-Q241 HydrophobicContact CD1-CB 4.09Å; Y85-Q241 HydrophobicContact CD1-CB 4.12Å; Y85-Q241 HydrophobicContact CD1-CG 3.9Å; Y85-Q241 HydrophobicContact CD2-CG 4.21Å; Y85-Q241 HydrophobicContact CE1-CB 3.82Å; Y85-Q241 HydrophobicContact CE1-CG 3.68Å; Y85-Q241 HydrophobicContact CE2-CG 3.97Å; Y85-Q241 HydrophobicContact CG-CG 4.17Å; P239-Q241 VanDerWaalsContact C-N 3.3Å; P239-Q241 PolarHBondContact O-N 2.8Å; Q241-L243 VanDerWaalsContact C-N 3.35Å; Q241-L244 PolarHBondContact O-N 2.98Å; Q241-V245 WeakPolarHBondContact O-CG2 3.06Å; Q241-V245 PolarHBondContact O-N 3.37Å
242	E	87.4	Confident	86.8	Confident	67 Å²	67	43 Å²	43	31%	0.313	22%	0.222	S	C	.	.	H	α-helix	trans	-68.7	-38.4	178.5	-75.1	179.2	-138.8	0	0	110.8	R238 P239 L244 V245 Q246	R238-E242 HydrophobicContact CB-CB 4.39Å; R238-E242 VanDerWaalsContact CD-OE2 3.24Å; R238-E242 WeakPolarHBondContact CD-OE2 3.43Å; R238-E242 IonicContact CZ-OE2 3.99Å; R238-E242 IonicContact NE-OE2 3.88Å; R238-E242 IonicContact NH1-OE2 3.71Å; R238-E242 PolarHBondContact NH1-OE2 2.83Å; P239-E242 PolarHBondContact O-N 2.95Å; P239-E242 VanDerWaalsContact O-N 3.07Å; E242-L244 VanDerWaalsContact C-N 3.26Å; E242-L244 PolarHBondContact O-N 3.38Å; E242-V245 PolarHBondContact O-N 2.81Å; E242-Q246 WeakPolarHBondContact O-CB 3.48Å; E242-Q246 VanDerWaalsContact O-CG 3.29Å; E242-Q246 WeakPolarHBondContact O-CG 3.35Å; E242-Q246 PolarHBondContact O-N 3.03Å
243	L	87	Confident	86.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-36	177.8	-170	84.4	0	0	0	112.8	K136 M137 L140 M235 P239 Y240 Q241 L248	K136-L243 HydrophobicContact CB-CD2 3.89Å; K136-L243 HydrophobicContact CG-CD2 3.68Å; K136-L243 HydrophobicContact CG-CG 3.96Å; M137-L243 HydrophobicContact CE-CD1 4.14Å; M137-L243 HydrophobicContact CE-CD2 3.31Å; M137-L243 HydrophobicContact CE-CG 4.18Å; M137-L243 HydrophobicContact CG-CD2 3.94Å; M137-L243 HydrophobicContact SD-CD2 4.23Å; L140-L243 HydrophobicContact CD1-CD1 3.86Å; M235-L243 HydrophobicContact CE-CD1 3.98Å; P239-L243 PolarHBondContact O-N 3.35Å; Y240-L243 WeakPolarHBondContact O-CB 3.41Å; Y240-L243 PolarHBondContact O-N 3.08Å; Q241-L243 VanDerWaalsContact C-N 3.35Å; L243-L248 HydrophobicContact CD1-CD1 3.87Å; L243-L248 HydrophobicContact CG-CD1 4.32Å
244	L	86.7	Confident	87.1	Confident	7 Å²	7	53.1 Å²	53.1	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-76.6	-33.8	-178.1	-71.1	-174	0	0	0	113.6	F103 I129 A132 V133 K136 Y240 Q241 E242	F103-L244 HydrophobicContact CD2-CB 4.23Å; F103-L244 HydrophobicContact CD2-CD1 4.14Å; F103-L244 HydrophobicContact CE2-CB 3.85Å; F103-L244 HydrophobicContact CG-CD1 4.38Å; F103-L244 HydrophobicContact CZ-CB 4.32Å; F103-L244 WeakPolarHBondContact CZ-O 3.04Å; I129-L244 HydrophobicContact CD1-CD1 4.43Å; I129-L244 HydrophobicContact CG1-CD1 3.73Å; A132-L244 HydrophobicContact CB-CD1 3.83Å; A132-L244 HydrophobicContact CB-CD2 3.81Å; A132-L244 HydrophobicContact CB-CG 4.49Å; A132-L244 WeakPolarHBondContact O-CD2 3.48Å; V133-L244 HydrophobicContact CG2-CD1 3.65Å; V133-L244 HydrophobicContact CG2-CD2 4.36Å; V133-L244 HydrophobicContact CG2-CG 3.98Å; K136-L244 HydrophobicContact CB-CD2 4.04Å; K136-L244 HydrophobicContact CG-CD2 4.46Å; Y240-L244 PolarHBondContact O-N 3.05Å; Q241-L244 PolarHBondContact O-N 2.98Å; E242-L244 VanDerWaalsContact C-N 3.26Å; E242-L244 PolarHBondContact O-N 3.38Å
245	V	82.1	Confident	87.2	Confident	79 Å²	79	49.2 Å²	49.2	48%	0.479	24%	0.235	S	C	.	.	H	α-helix	trans	-88.4	-24	-174.6	-179.2	0	0	0	0	111.4	Q241 E242	Q241-V245 WeakPolarHBondContact O-CG2 3.06Å; Q241-V245 PolarHBondContact O-N 3.37Å; E242-V245 PolarHBondContact O-N 2.81Å
246	Q	83.7	Confident	87.3	Confident	70 Å²	70	53 Å²	53	33%	0.327	25%	0.251	S	S	.	.	S	Bend	trans	-74.6	136.5	175	-72.5	-179	18.8	0	0	111.7	M235 E242 L248	M235-Q246 PolarHBondContact SD-OE1 3.27Å; M235-Q246 VanDerWaalsContact SD-OE1 3.37Å; E242-Q246 WeakPolarHBondContact O-CB 3.48Å; E242-Q246 VanDerWaalsContact O-CG 3.29Å; E242-Q246 WeakPolarHBondContact O-CG 3.35Å; E242-Q246 PolarHBondContact O-N 3.03Å; Q246-L248 HydrophobicContact CB-CD2 4.37Å; Q246-L248 PolarHBondContact O-N 3.41Å
247	D	81.1	Confident	87.5	Confident	120 Å²	120	58.1 Å²	58.1	64%	0.642	28%	0.278	S	S	*	.			trans	-74.6	112.8	171.1	-174.6	-2	0	0	0	109.6	D249	D247-D249 VanDerWaalsContact OD1-CB 3.23Å; D247-D249 WeakPolarHBondContact OD1-CB 3.45Å; D247-D249 PolarHBondContact OD1-N 3.18Å
248	L	87.8	Confident	87.5	Confident	6 Å²	6	56.3 Å²	56.3	3%	0.031	27%	0.272	C	S	.	.			trans	-106.1	6.6	179	-58.5	-176.5	0	0	0	112.4	M235 L243 Q246 D250 L251 F252	M235-L248 HydrophobicContact CE-CD1 4.07Å; M235-L248 HydrophobicContact CE-CD2 3.51Å; M235-L248 HydrophobicContact CE-CG 4.37Å; M235-L248 HydrophobicContact CG-CD2 4.08Å; M235-L248 HydrophobicContact SD-CD2 3.97Å; L243-L248 HydrophobicContact CD1-CD1 3.87Å; L243-L248 HydrophobicContact CG-CD1 4.32Å; Q246-L248 HydrophobicContact CB-CD2 4.37Å; Q246-L248 PolarHBondContact O-N 3.41Å; L248-D250 PolarHBondContact O-N 3.46Å; L248-L251 HydrophobicContact CD2-CD2 4.42Å; L248-L251 PolarHBondContact O-N 2.9Å; L248-F252 HydrophobicContact CB-CD1 4.47Å; L248-F252 HydrophobicContact CB-CD2 4.22Å; L248-F252 HydrophobicContact CB-CE1 4.2Å; L248-F252 HydrophobicContact CB-CE2 3.96Å; L248-F252 HydrophobicContact CB-CG 4.48Å; L248-F252 HydrophobicContact CB-CZ 3.94Å; L248-F252 HydrophobicContact CD1-CE1 4.43Å; L248-F252 HydrophobicContact CD1-CZ 3.99Å; L248-F252 WeakPolarHBondContact O-CB 3.25Å; L248-F252 VanDerWaalsContact O-CG 3.26Å; L248-F252 WeakPolarHBondContact O-CG 3.35Å; L248-F252 PolarHBondContact O-N 3.04Å
249	D	87.5	Confident	87.1	Confident	90 Å²	90	52.6 Å²	52.6	48%	0.481	26%	0.263	S	S	.	.	H	α-helix	trans	-67.3	-37.8	-172.5	-68.8	-8.1	0	0	0	111.3	D247 R253	D247-D249 VanDerWaalsContact OD1-CB 3.23Å; D247-D249 WeakPolarHBondContact OD1-CB 3.45Å; D247-D249 PolarHBondContact OD1-N 3.18Å; D249-R253 WeakPolarHBondContact O-CB 3.39Å; D249-R253 PolarHBondContact O-N 3.48Å
250	D	90.4	Very high	86.7	Confident	68 Å²	68	57.8 Å²	57.8	36%	0.364	28%	0.28	S	S	.	.	H	α-helix	trans	-64	-47.5	172.1	177.3	64.5	0	0	0	112.1	L248 F252 R253 R254	L248-D250 PolarHBondContact O-N 3.46Å; D250-F252 VanDerWaalsContact C-N 3.33Å; D250-F252 PolarHBondContact O-N 2.92Å; D250-R253 WeakPolarHBondContact O-CB 3.3Å; D250-R253 PolarHBondContact O-N 3.02Å; D250-R253 VanDerWaalsContact O-N 3.17Å; D250-R253 IonicContact OD1-CZ 2.82Å; D250-R253 IonicContact OD1-NE 2.59Å; D250-R253 IonicContact OD1-NH2 2.9Å; D250-R253 PolarHBondContact OD1-NH2 3.15Å; D250-R254 WeakPolarHBondContact O-CB 3.46Å; D250-R254 WeakPolarHBondContact O-CG 3.33Å; D250-R254 PolarHBondContact O-N 3.06Å; D250-R254 WeakPolarHBondContact OD2-CD 3.34Å; D250-R254 IonicContact OD2-NH1 3.68Å
251	L	91.1	Very high	85.9	Confident	14 Å²	14	61.1 Å²	61.1	7%	0.073	30%	0.299	C	S	.	.	H	α-helix	trans	-61.3	-44.1	-179.8	179.4	59.4	0	0	0	111.1	V228 E231 L232 M235 L248 R254 S255	V228-L251 HydrophobicContact CG1-CD1 4.24Å; E231-L251 HydrophobicContact CB-CD1 3.76Å; E231-L251 WeakPolarHBondContact OE2-CD1 3.41Å; L232-L251 HydrophobicContact CD2-CD1 4.48Å; L232-L251 HydrophobicContact CD2-CD2 3.75Å; L232-L251 HydrophobicContact CD2-CG 3.85Å; L232-L251 HydrophobicContact CG-CD1 4.29Å; L232-L251 HydrophobicContact CG-CD2 4.17Å; L232-L251 HydrophobicContact CG-CG 4.2Å; M235-L251 HydrophobicContact CG-CD2 3.76Å; L248-L251 HydrophobicContact CD2-CD2 4.42Å; L248-L251 PolarHBondContact O-N 2.9Å; L251-R254 PolarHBondContact O-N 2.84Å; L251-S255 WeakPolarHBondContact O-CB 3.27Å; L251-S255 PolarHBondContact O-N 2.78Å
252	F	91.5	Very high	85.1	Confident	3 Å²	3	67 Å²	67	1%	0.013	33%	0.331	C	S	.	.	H	α-helix	trans	-66.7	-39	175.8	-67.3	-14.1	0	0	0	111.7	K136 E139 L140 H143 L232 L248 D250 S255 K256	K136-F252 HydrophobicContact CD-CE2 4.27Å; E139-F252 HydrophobicContact CB-CE2 4.44Å; E139-F252 VanDerWaalsContact CD-CE2 3.42Å; E139-F252 HydrophobicContact CG-CD2 4.18Å; E139-F252 HydrophobicContact CG-CE2 3.8Å; E139-F252 HydrophobicContact CG-CZ 4.19Å; E139-F252 VanDerWaalsContact OE2-CE2 3.26Å; E139-F252 WeakPolarHBondContact OE2-CE2 3.49Å; L140-F252 HydrophobicContact CB-CE1 4.46Å; L140-F252 HydrophobicContact CB-CZ 4.39Å; H143-F252 PolarHBondContact CE1-O 3.36Å; L232-F252 HydrophobicContact CD2-CD1 4.05Å; L232-F252 HydrophobicContact CD2-CE1 3.87Å; L248-F252 HydrophobicContact CB-CD1 4.47Å; L248-F252 HydrophobicContact CB-CD2 4.22Å; L248-F252 HydrophobicContact CB-CE1 4.2Å; L248-F252 HydrophobicContact CB-CE2 3.96Å; L248-F252 HydrophobicContact CB-CG 4.48Å; L248-F252 HydrophobicContact CB-CZ 3.94Å; L248-F252 HydrophobicContact CD1-CE1 4.43Å; L248-F252 HydrophobicContact CD1-CZ 3.99Å; L248-F252 WeakPolarHBondContact O-CB 3.25Å; L248-F252 VanDerWaalsContact O-CG 3.26Å; L248-F252 WeakPolarHBondContact O-CG 3.35Å; L248-F252 PolarHBondContact O-N 3.04Å; D250-F252 VanDerWaalsContact C-N 3.33Å; D250-F252 PolarHBondContact O-N 2.92Å; F252-S255 PolarHBondContact O-N 3.4Å; F252-K256 WeakPolarHBondContact O-CB 3.47Å; F252-K256 PolarHBondContact O-N 3.19Å
253	R	91.6	Very high	84.1	Confident	144 Å²	144	66.4 Å²	66.4	54%	0.543	33%	0.329	S	S	.	.	H	α-helix	trans	-60.5	-49.2	173.1	179.1	-180	64.8	-150.9	6.7	111.4	D249 D250 S255 K256 L257	D249-R253 WeakPolarHBondContact O-CB 3.39Å; D249-R253 PolarHBondContact O-N 3.48Å; D250-R253 WeakPolarHBondContact O-CB 3.3Å; D250-R253 PolarHBondContact O-N 3.02Å; D250-R253 VanDerWaalsContact O-N 3.17Å; D250-R253 IonicContact OD1-CZ 2.82Å; D250-R253 IonicContact OD1-NE 2.59Å; D250-R253 IonicContact OD1-NH2 2.9Å; D250-R253 PolarHBondContact OD1-NH2 3.15Å; R253-S255 PolarHBondContact O-N 3Å; R253-K256 PolarHBondContact O-N 2.71Å; R253-L257 HydrophobicContact CG-CD1 4.05Å; R253-L257 WeakPolarHBondContact O-CG 3.24Å; R253-L257 PolarHBondContact O-N 2.9Å
254	R	91.6	Very high	83	Confident	84 Å²	84	67 Å²	67	32%	0.317	33%	0.333	S	S	.	.	H	α-helix	trans	-59.1	-45	176.9	-74	170.2	60.3	-151.1	-6.5	111.3	E231 D250 L251 L257 A258	E231-R254 IonicContact OE1-CZ 3.93Å; E231-R254 IonicContact OE1-NH1 3.64Å; E231-R254 PolarHBondContact OE1-NH1 3.43Å; E231-R254 IonicContact OE1-NH2 2.65Å; E231-R254 PolarHBondContact OE1-NH2 2.78Å; E231-R254 IonicContact OE2-CZ 3.25Å; E231-R254 IonicContact OE2-NH1 3.89Å; E231-R254 PolarHBondContact OE2-NH1 2.79Å; E231-R254 IonicContact OE2-NH2 3.72Å; E231-R254 PolarHBondContact OE2-NH2 2.88Å; D250-R254 WeakPolarHBondContact O-CB 3.46Å; D250-R254 WeakPolarHBondContact O-CG 3.33Å; D250-R254 PolarHBondContact O-N 3.06Å; D250-R254 WeakPolarHBondContact OD2-CD 3.34Å; D250-R254 IonicContact OD2-NH1 3.68Å; L251-R254 PolarHBondContact O-N 2.84Å; R254-L257 PolarHBondContact O-N 2.97Å; R254-A258 VanDerWaalsContact O-CB 3.26Å; R254-A258 WeakPolarHBondContact O-CB 3.35Å; R254-A258 PolarHBondContact O-N 2.85Å
255	S	90.9	Very high	81.9	Confident	1 Å²	1	75.3 Å²	75.3	1%	0.007	37%	0.372	C	S	.	.	H	α-helix	trans	-61.4	-44.9	175.2	169.5	0	0	0	0	112.7	H143 L147 L251 F252 R253 A258 A259	H143-S255 VanDerWaalsContact ND1-CB 3.33Å; H143-S255 WeakPolarHBondContact ND1-CB 3.47Å; H143-S255 PolarHBondContact ND1-OG 2.81Å; L147-S255 WeakPolarHBondContact CD1-OG 3.32Å; L251-S255 WeakPolarHBondContact O-CB 3.27Å; L251-S255 PolarHBondContact O-N 2.78Å; F252-S255 PolarHBondContact O-N 3.4Å; R253-S255 PolarHBondContact O-N 3Å; S255-A258 PolarHBondContact O-N 2.91Å; S255-A259 VanDerWaalsContact O-CB 3.3Å; S255-A259 WeakPolarHBondContact O-CB 3.38Å; S255-A259 PolarHBondContact O-N 3.5Å
256	K	89.7	Confident	81	Confident	101 Å²	101	72.5 Å²	72.5	44%	0.439	36%	0.359	S	S	.	.	H	α-helix	trans	-61.7	-43.3	175.7	-89.3	153.8	-176.1	157.8	0	111.8	E139 H143 F252 R253 A259 K260	E139-K256 IonicContact OE1-NZ 2.83Å; H143-K256 VanDerWaalsContact CE1-CE 3.44Å; H143-K256 WeakPolarHBondContact CE1-CE 3.31Å; H143-K256 VanDerWaalsContact NE2-CE 3.29Å; H143-K256 WeakPolarHBondContact NE2-CE 3.22Å; H143-K256 PolarHBondContact NE2-NZ 2.82Å; F252-K256 WeakPolarHBondContact O-CB 3.47Å; F252-K256 PolarHBondContact O-N 3.19Å; R253-K256 PolarHBondContact O-N 2.71Å; K256-A259 PolarHBondContact O-N 3.05Å; K256-K260 WeakPolarHBondContact O-CB 3.42Å; K256-K260 VanDerWaalsContact O-CG 3.3Å; K256-K260 WeakPolarHBondContact O-CG 3.24Å; K256-K260 PolarHBondContact O-N 2.94Å; K256-K260 VanDerWaalsContact O-N 3.14Å
257	L	86.7	Confident	80.5	Confident	107 Å²	107	71.4 Å²	71.4	56%	0.56	35%	0.354	S	S	*	.	H	α-helix	trans	-63.6	-47	176.6	-73	168.5	0	0	0	110.8	R253 R254 A259 K260 L261	R253-L257 HydrophobicContact CG-CD1 4.05Å; R253-L257 WeakPolarHBondContact O-CG 3.24Å; R253-L257 PolarHBondContact O-N 2.9Å; R254-L257 PolarHBondContact O-N 2.97Å; L257-A259 VanDerWaalsContact C-N 3.28Å; L257-A259 PolarHBondContact O-N 2.91Å; L257-K260 PolarHBondContact O-N 3.03Å; L257-L261 PolarHBondContact O-N 2.75Å; L257-L261 VanDerWaalsContact O-N 3.13Å
258	A	83.5	Confident	80	Confident	13 Å²	13	68.5 Å²	68.5	11%	0.107	34%	0.338	C	S	.	.	H	α-helix	trans	-62.9	-36.8	179.4	0	0	0	0	0	111.9	L147 R150 L225 R254 S255 K260	L147-A258 HydrophobicContact CD2-CB 4.1Å; R150-A258 PolarHBondContact NE-O 2.92Å; R150-A258 VanDerWaalsContact NE-O 3.14Å; R150-A258 PolarHBondContact NH1-O 2.78Å; L225-A258 HydrophobicContact CD2-CB 3.5Å; L225-A258 VanDerWaalsContact CD2-CB 3.5Å; R254-A258 VanDerWaalsContact O-CB 3.26Å; R254-A258 WeakPolarHBondContact O-CB 3.35Å; R254-A258 PolarHBondContact O-N 2.85Å; S255-A258 PolarHBondContact O-N 2.91Å; A258-K260 VanDerWaalsContact C-N 3.3Å; A258-K260 PolarHBondContact O-N 3.32Å
259	A	78.9	Confident	79.2	Confident	27 Å²	27	68.5 Å²	68.5	22%	0.223	34%	0.338	C	S	.	.	H	α-helix	trans	-71.5	-18.8	174.2	0	0	0	0	0	114.2	L147 R150 S255 K256 L257	L147-A259 HydrophobicContact CD2-CB 4.31Å; R150-A259 PolarHBondContact NH1-O 2.64Å; S255-A259 VanDerWaalsContact O-CB 3.3Å; S255-A259 WeakPolarHBondContact O-CB 3.38Å; S255-A259 PolarHBondContact O-N 3.5Å; K256-A259 PolarHBondContact O-N 3.05Å; L257-A259 VanDerWaalsContact C-N 3.28Å; L257-A259 PolarHBondContact O-N 2.91Å
260	K	76.9	Confident	78.4	Confident	166 Å²	166	71 Å²	71	72%	0.722	34%	0.341	S	S	*	.	H	α-helix	trans	-99.9	-13.4	-178	-79.9	-178	179.2	-174.2	0	115.3	K256 L257 A258	K256-K260 WeakPolarHBondContact O-CB 3.42Å; K256-K260 VanDerWaalsContact O-CG 3.3Å; K256-K260 WeakPolarHBondContact O-CG 3.24Å; K256-K260 PolarHBondContact O-N 2.94Å; K256-K260 VanDerWaalsContact O-N 3.14Å; L257-K260 PolarHBondContact O-N 3.03Å; A258-K260 VanDerWaalsContact C-N 3.3Å; A258-K260 PolarHBondContact O-N 3.32Å
261	L	71.6	Confident	77.7	Confident	92 Å²	92	67.9 Å²	67.9	48%	0.482	32%	0.324	S	S	.	.	S	Bend	trans	-50.6	150.1	173.8	-81.2	157.4	0	0	0	109.9	R150 L257	R150-L261 PolarHBondContact NH1-O 2.68Å; R150-L261 PolarHBondContact NH2-O 2.88Å; L257-L261 PolarHBondContact O-N 2.75Å; L257-L261 VanDerWaalsContact O-N 3.13Å
262	D	68.6	Low	77	Confident	147 Å²	147	75.5 Å²	75.5	79%	0.786	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-63.9	149.1	170.4	-77.7	-35.3	0	0	0	109.8	R150	R150-D262 PolarHBondContact NH2-O 2.86Å
263	M	66.4	Low	76.2	Confident	55 Å²	55	76.5 Å²	76.5	27%	0.271	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-67.6	135.9	171.6	-71	-63.2	-63.6	0	0	107.8	R150 I153 Q154 Y157 Q265	R150-M263 HydrophobicContact CG-SD 3.82Å; I153-M263 HydrophobicContact CB-CE 3.85Å; I153-M263 HydrophobicContact CG2-CE 3.37Å; Q154-M263 HydrophobicContact CG-CE 3.77Å; Y157-M263 HydrophobicContact CD2-CE 3.97Å; Y157-M263 HydrophobicContact CE2-CE 3.76Å; M263-Q265 PolarHBondContact O-N 3.47Å; M263-Q265 VanDerWaalsContact O-N 3.09Å
264	P	64	Low	75.7	Confident	14 Å²	14	72.2 Å²	72.2	9%	0.091	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-59.1	123.9	176.8	22.6	-31.2	0	0	0	108.5	I218 E221 G266	I218-P264 HydrophobicContact CB-CG 4.43Å; I218-P264 HydrophobicContact CG1-CB 3.69Å; I218-P264 HydrophobicContact CG1-CG 3.84Å; I218-P264 HydrophobicContact CG2-CG 4.24Å; E221-P264 WeakPolarHBondContact OE2-CD 3.05Å; E221-P264 WeakPolarHBondContact OE2-CG 3.02Å; P264-G266 PolarHBondContact O-N 3.34Å
265	Q	64.8	Low	75.4	Confident	181 Å²	181	71.5 Å²	71.5	85%	0.846	36%	0.355	S	S	*	.			trans	-73.9	111.8	175.3	-65.5	-167.6	1.2	0	0	107.4	M263 M267	M263-Q265 PolarHBondContact O-N 3.47Å; M263-Q265 VanDerWaalsContact O-N 3.09Å; Q265-M267 PolarHBondContact O-N 2.91Å
266	G	63.6	Low	75.2	Confident	20 Å²	20	71.5 Å²	71.5	21%	0.206	36%	0.355	C	S	.	.			trans	-55.1	137.6	173.1	0	0	0	0	0	110.1	P264 I268	P264-G266 PolarHBondContact O-N 3.34Å; G266-I268 PolarHBondContact O-N 3.41Å
267	M	72.6	Confident	75	Confident	46 Å²	46	69.6 Å²	69.6	23%	0.227	35%	0.353	C	S	.	.			trans	-71.5	132.6	-179.6	179.6	-166.8	167.8	0	0	108.9	E161 T207 E210 L211 Q265 P269	E161-M267 WeakPolarHBondContact OE1-CB 3.24Å; T207-M267 HydrophobicContact CG2-CE 3.86Å; E210-M267 VanDerWaalsContact C-SD 3.51Å; E210-M267 HydrophobicContact CB-CE 3.47Å; E210-M267 VanDerWaalsContact CB-CE 3.47Å; E210-M267 HydrophobicContact CB-SD 3.4Å; E210-M267 WeakPolarHBondContact CB-SD 3.3Å; E210-M267 HydrophobicContact CG-CE 4.34Å; E210-M267 WeakPolarHBondContact OE2-CE 3.46Å; L211-M267 HydrophobicContact CB-SD 4.45Å; L211-M267 HydrophobicContact CD2-CB 4.15Å; L211-M267 HydrophobicContact CD2-CG 4.28Å; L211-M267 HydrophobicContact CD2-SD 3.82Å; L211-M267 HydrophobicContact CG-SD 3.89Å; L211-M267 PolarHBondContact N-SD 3.07Å; L211-M267 VanDerWaalsContact N-SD 3.43Å; Q265-M267 PolarHBondContact O-N 2.91Å; M267-P269 WeakPolarHBondContact O-CD 3.45Å
268	I	69.5	Low	74.9	Confident	60 Å²	60	66.9 Å²	66.9	31%	0.308	35%	0.351	S	S	.	.			trans	-95	105	170.4	-60.6	153	0	0	0	106.7	G266 R270 H381	G266-I268 PolarHBondContact O-N 3.41Å; I268-R270 HydrophobicContact CG2-CG 4.44Å; I268-H381 HydrophobicContact CD1-CB 3.69Å; I268-H381 WeakPolarHBondContact CD1-ND1 3.3Å
269	P	71.1	Confident	75.1	Confident	6 Å²	6	66.5 Å²	66.5	4%	0.039	35%	0.347	C	S	.	.			trans	-66	145.1	177.9	26.5	-29.3	0	0	0	109	W167 T207 L211 M267 Y393	W167-P269 HydrophobicContact CE3-CB 4.11Å; W167-P269 HydrophobicContact CE3-CG 4.01Å; W167-P269 HydrophobicContact CH2-CB 3.67Å; W167-P269 HydrophobicContact CH2-CG 4.39Å; W167-P269 HydrophobicContact CZ3-CB 3.43Å; W167-P269 VanDerWaalsContact CZ3-CB 3.43Å; W167-P269 HydrophobicContact CZ3-CG 3.65Å; T207-P269 HydrophobicContact CG2-CB 3.24Å; L211-P269 HydrophobicContact CD1-CB 4.27Å; L211-P269 HydrophobicContact CD1-CG 4.34Å; L211-P269 HydrophobicContact CD2-CB 4.4Å; L211-P269 HydrophobicContact CD2-CG 4.22Å; M267-P269 WeakPolarHBondContact O-CD 3.45Å; P269-Y393 HydrophobicContact CB-CD1 4.42Å; P269-Y393 HydrophobicContact CB-CG 4.4Å; P269-Y393 HydrophobicContact CG-CD1 3.47Å; P269-Y393 VanDerWaalsContact CG-CD1 3.47Å; P269-Y393 HydrophobicContact CG-CD2 4.02Å; P269-Y393 HydrophobicContact CG-CE1 3.52Å; P269-Y393 HydrophobicContact CG-CE2 4.05Å; P269-Y393 HydrophobicContact CG-CG 3.71Å; P269-Y393 VanDerWaalsContact O-CB 3.25Å; P269-Y393 WeakPolarHBondContact O-CB 3.33Å; P269-Y393 WeakPolarHBondContact O-CD1 3.3Å
270	R	72.3	Confident	75.5	Confident	143 Å²	143	66.3 Å²	66.3	54%	0.54	34%	0.343	S	S	.	.			trans	-139.4	121.4	179.6	-68.1	-174.6	-177.3	177.1	3	109.8	I268 Y393	I268-R270 HydrophobicContact CG2-CG 4.44Å; R270-Y393 CarbonylContact C-O 3.58Å; R270-Y393 WeakPolarHBondContact CA-O 3.5Å
271	L	74.7	Confident	76.1	Confident	2 Å²	2	62 Å²	62	1%	0.01	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-96	129	171	-68.1	170.2	0	0	0	108.8	W167 M171 L200 Q203 Y393	W167-L271 HydrophobicContact CH2-CD1 3.75Å; W167-L271 HydrophobicContact CH2-CD2 3.92Å; W167-L271 HydrophobicContact CH2-CG 3.57Å; W167-L271 HydrophobicContact CZ2-CD1 4.04Å; W167-L271 HydrophobicContact CZ2-CD2 3.87Å; W167-L271 HydrophobicContact CZ2-CG 3.99Å; W167-L271 HydrophobicContact CZ3-CD1 4.42Å; M171-L271 HydrophobicContact SD-CD1 3.78Å; M171-L271 HydrophobicContact SD-CD2 4.36Å; L200-L271 HydrophobicContact CD1-CD1 4.14Å; L200-L271 HydrophobicContact CD1-CD2 4.24Å; Q203-L271 HydrophobicContact CB-CD2 4.18Å; L271-Y393 PolarHBondContact N-O 3.49Å
272	R	75.6	Confident	76.9	Confident	174 Å²	174	60.8 Å²	60.8	66%	0.657	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-73.1	133.3	174.5	-66	-175	-175.7	-166.1	2.6	108.7	H274	R272-H274 PolarHBondContact O-ND1 3.49Å
273	A	75.4	Confident	78	Confident	24 Å²	24	54.3 Å²	54.3	20%	0.198	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-79	125.3	172.3	0	0	0	0	0	109	I394 K419 S421	A273-I394 HydrophobicContact CB-CG2 4.18Å; A273-K419 HydrophobicContact CB-CD 4.36Å; A273-S421 VanDerWaalsContact CB-OG 3.26Å; A273-S421 WeakPolarHBondContact CB-OG 3.24Å
274	H	81.6	Confident	79.2	Confident	53 Å²	53	54.4 Å²	54.4	25%	0.245	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-95.4	137.2	176	-59.3	82.3	0	0	0	110	H196 C199 Q203 R272 I276 S421	H196-H274 AromaticContact CD2-ND1 3.91Å; H196-H274 AromaticContact NE2-ND1 3.83Å; C199-H274 PolarHBondContact SG-CE1 2.86Å; C199-H274 PolarHBondContact SG-NE2 3.19Å; Q203-H274 PolarHBondContact NE2-CE1 3.12Å; Q203-H274 PolarHBondContact NE2-NE2 3.01Å; R272-H274 PolarHBondContact O-ND1 3.49Å; H274-I276 PolarHBondContact O-N 3.28Å; H274-S421 WeakPolarHBondContact O-CB 3.5Å
275	S	85.8	Confident	80.7	Confident	70 Å²	70	58 Å²	58	49%	0.49	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-61	136.9	174.7	-177.6	0	0	0	0	110.2	K419	S275-K419 WeakPolarHBondContact CA-O 3.44Å; S275-K419 VanDerWaalsContact CB-O 3.31Å; S275-K419 WeakPolarHBondContact CB-O 3.37Å; S275-K419 PolarHBondContact OG-O 3.2Å
276	I	86.8	Confident	82.1	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.293	C	S	.	.			trans	-104.8	114	173.2	-59.6	-177	0	0	0	107	V181 Y182 H274 G278 L279 S420 L422	V181-I276 HydrophobicContact CG1-CD1 3.89Å; V181-I276 HydrophobicContact CG1-CG2 4.43Å; Y182-I276 HydrophobicContact CD2-CD1 4.46Å; Y182-I276 HydrophobicContact CD2-CG2 4.49Å; Y182-I276 HydrophobicContact CE1-CG2 4.27Å; Y182-I276 HydrophobicContact CE2-CB 4.44Å; Y182-I276 HydrophobicContact CE2-CD1 3.8Å; Y182-I276 HydrophobicContact CE2-CG1 3.82Å; Y182-I276 HydrophobicContact CE2-CG2 3.93Å; H274-I276 PolarHBondContact O-N 3.28Å; I276-G278 PolarHBondContact O-N 2.84Å; I276-L279 HydrophobicContact CB-CB 3.86Å; I276-L279 HydrophobicContact CB-CD2 3.99Å; I276-L279 HydrophobicContact CB-CG 4.49Å; I276-L279 HydrophobicContact CD1-CD2 4.19Å; I276-L279 HydrophobicContact CG1-CD2 4.42Å; I276-L279 HydrophobicContact CG2-CB 3.97Å; I276-L279 WeakPolarHBondContact O-CB 3.31Å; I276-L279 PolarHBondContact O-N 3.48Å; I276-L279 VanDerWaalsContact O-N 3.11Å; I276-S420 PolarHBondContact N-O 3Å; I276-S420 PolarHBondContact O-OG 2.94Å; I276-L422 HydrophobicContact CD1-CB 3.98Å
277	P	85	Confident	83.6	Confident	62 Å²	62	58.6 Å²	58.6	40%	0.403	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	132.7	-178.7	-28.5	35.5	0	0	0	112.6	Q185 L189 L279	Q185-P277 PolarHBondContact NE2-O 2.87Å; L189-P277 HydrophobicContact CD1-CB 4.18Å; P277-L279 PolarHBondContact O-N 2.98Å
278	G	84.8	Confident	84.7	Confident	50 Å²	50	58.7 Å²	58.7	52%	0.515	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	1.2	178.4	0	0	0	0	0	115.8	I276 A281 R282	I276-G278 PolarHBondContact O-N 2.84Å; G278-A281 PolarHBondContact O-N 2.87Å; G278-R282 WeakPolarHBondContact O-CB 3.26Å; G278-R282 PolarHBondContact O-N 3.5Å
279	L	87.3	Confident	85.7	Confident	5 Å²	5	65.4 Å²	65.4	3%	0.026	34%	0.34	C	S	.	.	H	α-helix	trans	-58	-56.2	-177.5	176.5	63.4	0	0	0	111.6	V181 I276 P277 A281 R282 L283 V415	V181-L279 HydrophobicContact CG1-CD1 4.11Å; I276-L279 HydrophobicContact CB-CB 3.86Å; I276-L279 HydrophobicContact CB-CD2 3.99Å; I276-L279 HydrophobicContact CB-CG 4.49Å; I276-L279 HydrophobicContact CD1-CD2 4.19Å; I276-L279 HydrophobicContact CG1-CD2 4.42Å; I276-L279 HydrophobicContact CG2-CB 3.97Å; I276-L279 WeakPolarHBondContact O-CB 3.31Å; I276-L279 PolarHBondContact O-N 3.48Å; I276-L279 VanDerWaalsContact O-N 3.11Å; P277-L279 PolarHBondContact O-N 2.98Å; L279-A281 VanDerWaalsContact C-N 3.34Å; L279-A281 PolarHBondContact O-N 3.37Å; L279-R282 PolarHBondContact O-N 2.91Å; L279-L283 HydrophobicContact CD1-CD1 4.01Å; L279-L283 HydrophobicContact CD1-CG 4.18Å; L279-L283 HydrophobicContact CG-CD1 4.12Å; L279-L283 WeakPolarHBondContact O-CG 3.45Å; L279-L283 PolarHBondContact O-N 3.13Å; L279-V415 HydrophobicContact CD2-CG1 3.91Å
280	T	86.9	Confident	86.5	Confident	22 Å²	22	66.5 Å²	66.5	14%	0.135	35%	0.345	C	S	.	.	H	α-helix	trans	-65	-38.7	-176.9	-54.1	0	0	0	0	111.6	R282 L283 N284 V417 S420	T280-R282 PolarHBondContact O-N 3.11Å; T280-L283 PolarHBondContact O-N 3.25Å; T280-N284 WeakPolarHBondContact O-CB 2.95Å; T280-N284 PolarHBondContact O-N 3.29Å; T280-N284 PolarHBondContact O-ND2 2.98Å; T280-V417 HydrophobicContact CG2-CG1 4.32Å; T280-S420 WeakPolarHBondContact OG1-CA 3.42Å; T280-S420 VanDerWaalsContact OG1-CB 3.31Å; T280-S420 WeakPolarHBondContact OG1-CB 3.44Å; T280-S420 PolarHBondContact OG1-OG 3.46Å
281	A	88.9	Confident	87.1	Confident	75 Å²	75	62.7 Å²	62.7	62%	0.62	34%	0.34	S	S	*	.	H	α-helix	trans	-60.8	-44.6	175.3	0	0	0	0	0	111.8	G278 L279 N284 S285	G278-A281 PolarHBondContact O-N 2.87Å; L279-A281 VanDerWaalsContact C-N 3.34Å; L279-A281 PolarHBondContact O-N 3.37Å; A281-N284 PolarHBondContact O-N 3.09Å; A281-S285 PolarHBondContact O-N 3.43Å
282	R	88.8	Confident	87.2	Confident	68 Å²	68	65.9 Å²	65.9	26%	0.257	35%	0.354	S	S	.	.	H	α-helix	trans	-66.7	-41.7	176.7	-179.7	-179.6	60.8	-168.2	-7.5	112.5	K184 G278 L279 T280 N284 S285 F286	K184-R282 PolarHBondContact O-NH1 3.33Å; K184-R282 VanDerWaalsContact O-NH1 3.09Å; G278-R282 WeakPolarHBondContact O-CB 3.26Å; G278-R282 PolarHBondContact O-N 3.5Å; L279-R282 PolarHBondContact O-N 2.91Å; T280-R282 PolarHBondContact O-N 3.11Å; R282-N284 VanDerWaalsContact C-N 3.25Å; R282-N284 PolarHBondContact O-N 3.24Å; R282-S285 PolarHBondContact O-N 3.29Å; R282-S285 PolarHBondContact O-OG 3.47Å; R282-F286 WeakPolarHBondContact O-CD2 3.46Å
283	L	91.7	Very high	86.6	Confident	10 Å²	10	63 Å²	63	5%	0.052	35%	0.346	C	S	.	.	H	α-helix	trans	-64.7	-35	177.7	-69.4	-178.6	0	0	0	111.5	L279 T280 S285 F286 Y338 F404 V415	L279-L283 HydrophobicContact CD1-CD1 4.01Å; L279-L283 HydrophobicContact CD1-CG 4.18Å; L279-L283 HydrophobicContact CG-CD1 4.12Å; L279-L283 WeakPolarHBondContact O-CG 3.45Å; L279-L283 PolarHBondContact O-N 3.13Å; T280-L283 PolarHBondContact O-N 3.25Å; L283-S285 PolarHBondContact O-N 2.91Å; L283-F286 PolarHBondContact O-N 3.33Å; L283-Y338 HydrophobicContact CB-CD1 4.01Å; L283-Y338 HydrophobicContact CB-CD2 3.79Å; L283-Y338 HydrophobicContact CB-CE1 4.08Å; L283-Y338 HydrophobicContact CB-CE2 3.85Å; L283-Y338 HydrophobicContact CB-CG 3.87Å; L283-Y338 HydrophobicContact CD1-CD2 4.17Å; L283-Y338 HydrophobicContact CD1-CE2 3.8Å; L283-Y338 HydrophobicContact CG-CD2 4.38Å; L283-Y338 HydrophobicContact CG-CE2 4.38Å; L283-Y338 WeakPolarHBondContact O-CB 3.26Å; L283-Y338 VanDerWaalsContact O-CD1 3.31Å; L283-Y338 WeakPolarHBondContact O-CD1 3.48Å; L283-F404 HydrophobicContact CD2-CB 3.8Å; L283-F404 HydrophobicContact CD2-CD1 4.14Å; L283-F404 HydrophobicContact CD2-CD2 3.47Å; L283-F404 VanDerWaalsContact CD2-CD2 3.47Å; L283-F404 HydrophobicContact CD2-CE2 4.03Å; L283-F404 HydrophobicContact CD2-CG 3.52Å; L283-V415 HydrophobicContact CD1-CB 4.36Å; L283-V415 HydrophobicContact CD1-CG1 3.68Å; L283-V415 HydrophobicContact CD1-CG2 3.83Å
284	N	93.1	Very high	85.5	Confident	57 Å²	57	67.2 Å²	67.2	31%	0.305	36%	0.362	S	S	.	.	H	α-helix	trans	-64.3	-20.6	176.1	-85.2	-61.1	0	0	0	114.3	T280 A281 R282 F286 R287	T280-N284 WeakPolarHBondContact O-CB 2.95Å; T280-N284 PolarHBondContact O-N 3.29Å; T280-N284 PolarHBondContact O-ND2 2.98Å; A281-N284 PolarHBondContact O-N 3.09Å; R282-N284 VanDerWaalsContact C-N 3.25Å; R282-N284 PolarHBondContact O-N 3.24Å; N284-F286 PolarHBondContact O-N 3.44Å; N284-R287 VanDerWaalsContact O-CB 3.23Å; N284-R287 WeakPolarHBondContact O-CB 3.45Å; N284-R287 PolarHBondContact O-N 3.37Å; N284-R287 VanDerWaalsContact O-N 3.15Å; N284-R287 WeakPolarHBondContact OD1-CD 3.15Å
285	S	93.6	Very high	84.2	Confident	90 Å²	90	68.1 Å²	68.1	63%	0.629	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-16.9	172.2	74.6	0	0	0	0	113.1	A281 R282 L283	A281-S285 PolarHBondContact O-N 3.43Å; R282-S285 PolarHBondContact O-N 3.29Å; R282-S285 PolarHBondContact O-OG 3.47Å; L283-S285 PolarHBondContact O-N 2.91Å
286	F	94.4	Very high	82.7	Confident	66 Å²	66	67.2 Å²	67.2	29%	0.289	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	12.7	175.5	-54.3	-72.8	0	0	0	112.9	R282 L283 N284 V288 K336 Y338 F404	R282-F286 WeakPolarHBondContact O-CD2 3.46Å; L283-F286 PolarHBondContact O-N 3.33Å; N284-F286 PolarHBondContact O-N 3.44Å; F286-V288 PolarHBondContact O-N 2.98Å; F286-K336 HydrophobicContact CD1-CB 3.63Å; F286-K336 HydrophobicContact CE1-CB 3.88Å; F286-K336 HydrophobicContact CE1-CD 4.03Å; F286-K336 HydrophobicContact CG-CB 4.15Å; F286-K336 HydrophobicContact CZ-CD 4.17Å; F286-Y338 PolarHBondContact O-N 2.98Å; F286-F404 HydrophobicContact CB-CE2 4.32Å; F286-F404 HydrophobicContact CD2-CD2 4.49Å; F286-F404 AromaticContact CD2-CE2 3.68Å; F286-F404 HydrophobicContact CD2-CE2 3.68Å; F286-F404 HydrophobicContact CD2-CZ 4.46Å; F286-F404 HydrophobicContact CE2-CE2 4.21Å; F286-F404 HydrophobicContact CG-CE2 4.03Å
287	R	96.4	Very high	80.7	Confident	147 Å²	147	73.2 Å²	73.2	56%	0.555	39%	0.393	S	S	*	.	B	Isolated β-bridge	trans	-65.1	131.3	-170.1	-161.5	178.9	-157.3	-154.1	4.1	111.9	N284 Y338 E340	N284-R287 VanDerWaalsContact O-CB 3.23Å; N284-R287 WeakPolarHBondContact O-CB 3.45Å; N284-R287 PolarHBondContact O-N 3.37Å; N284-R287 VanDerWaalsContact O-N 3.15Å; N284-R287 WeakPolarHBondContact OD1-CD 3.15Å; R287-Y338 CarbonylContact C-O 3.54Å; R287-Y338 WeakPolarHBondContact CA-O 3.31Å; R287-Y338 HydrophobicContact CB-CD1 4.44Å; R287-Y338 HydrophobicContact CG-CD1 4.35Å; R287-E340 IonicContact CZ-OE2 2.94Å; R287-E340 IonicContact NE-OE2 3.95Å; R287-E340 IonicContact NH2-OE2 3.97Å; R287-E340 PolarHBondContact NH2-OE2 3.05Å
288	V	94.5	Very high	79.2	Confident	49 Å²	49	72.9 Å²	72.9	30%	0.297	39%	0.385	S	S	.	.			trans	-132.8	150.5	175	-67.5	0	0	0	0	111.4	F286 I290 Y337 Y338	F286-V288 PolarHBondContact O-N 2.98Å; V288-I290 HydrophobicContact CG2-CD1 3.82Å; V288-Y337 HydrophobicContact CG1-CD1 3.81Å; V288-Y337 HydrophobicContact CG1-CE1 4.48Å; V288-Y337 HydrophobicContact CG2-CD1 4.17Å; V288-Y338 WeakPolarHBondContact CG2-O 3.26Å; V288-Y338 PolarHBondContact N-O 3.15Å
289	K	91.3	Very high	76.9	Confident	200 Å²	200	72.3 Å²	72.3	87%	0.87	38%	0.379	S	S	*	.			trans	-86.5	115.9	172.4	-170.2	173	-176.3	175.3	0	109.9
290	I	88	Confident	75	Confident	30 Å²	30	79.9 Å²	79.9	15%	0.154	41%	0.409	C	S	.	.			trans	-87.6	131.4	173.5	-56.9	-51.3	0	0	0	109.8	V288 F292 F332 W339 P437	V288-I290 HydrophobicContact CG2-CD1 3.82Å; I290-F292 HydrophobicContact CB-CE2 4.3Å; I290-F292 HydrophobicContact CG2-CD2 4.14Å; I290-F292 HydrophobicContact CG2-CE1 4.15Å; I290-F292 HydrophobicContact CG2-CE2 3.72Å; I290-F292 HydrophobicContact CG2-CZ 3.72Å; I290-F332 HydrophobicContact CD1-CE2 3.88Å; I290-F332 HydrophobicContact CD1-CZ 3.72Å; I290-W339 HydrophobicContact CB-CG 4.49Å; I290-W339 HydrophobicContact CD1-CD2 4.31Å; I290-W339 HydrophobicContact CD1-CE3 4.27Å; I290-W339 HydrophobicContact CD1-CG 4.46Å; I290-W339 HydrophobicContact CG1-CB 3.67Å; I290-W339 HydrophobicContact CG1-CD2 3.7Å; I290-W339 HydrophobicContact CG1-CE3 4.16Å; I290-W339 HydrophobicContact CG1-CG 3.47Å; I290-W339 VanDerWaalsContact CG1-CG 3.47Å; I290-P437 HydrophobicContact CD1-CG 3.88Å; I290-P437 HydrophobicContact CG1-CG 4.12Å; I290-P437 HydrophobicContact CG2-CB 3.78Å; I290-P437 HydrophobicContact CG2-CG 3.79Å
291	S	83.9	Confident	72.5	Confident	63 Å²	63	84 Å²	84	44%	0.441	43%	0.434	S	S	.	.			trans	-111.1	121.9	169.9	-60.9	0	0	0	0	108.7	K329	S291-K329 WeakPolarHBondContact O-CB 3.38Å; S291-K329 PolarHBondContact O-N 3.02Å
292	F	77.8	Confident	69.8	Low	69 Å²	69	86.3 Å²	86.3	30%	0.303	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	146.5	176.8	-65.4	-87.7	0	0	0	110.9	I290 W327 P437 F439	I290-F292 HydrophobicContact CB-CE2 4.3Å; I290-F292 HydrophobicContact CG2-CD2 4.14Å; I290-F292 HydrophobicContact CG2-CE1 4.15Å; I290-F292 HydrophobicContact CG2-CE2 3.72Å; I290-F292 HydrophobicContact CG2-CZ 3.72Å; F292-W327 CarbonylContact C-O 3.53Å; F292-W327 WeakPolarHBondContact CA-O 3.48Å; F292-P437 HydrophobicContact CE1-CB 4.1Å; F292-P437 HydrophobicContact CZ-CB 4.34Å; F292-F439 HydrophobicContact CD1-CB 4.48Å; F292-F439 HydrophobicContact CE1-CB 3.84Å; F292-F439 HydrophobicContact CZ-CB 4.03Å
293	K	62.9	Low	67.2	Low	112 Å²	112	89.9 Å²	89.9	49%	0.487	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	148.9	171.2	-152.1	-174.8	175.5	-178.4	0	108.4	W327 K329	K293-W327 PolarHBondContact N-O 2.82Å; K293-K329 HydrophobicContact CB-CG 3.66Å; K293-K329 HydrophobicContact CG-CG 4.16Å
294	H	52.9	Low	64.3	Low	113 Å²	113	100 Å²	100	52%	0.523	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.1	99.1	172.5	-69.6	103.6	0	0	0	114.7	I296 W327	H294-I296 PolarHBondContact O-N 3.41Å; H294-W327 HydrophobicContact CB-CH2 4.1Å; H294-W327 HydrophobicContact CB-CZ2 3.82Å
295	S	52.9	Low	61.5	Low	72 Å²	72	100.5 Å²	100.5	50%	0.503	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	105.7	158	54	0	0	0	0	108
296	I	54.8	Low	58.9	Low	51 Å²	51	99 Å²	99	26%	0.262	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	118.7	162.3	-57.9	178.6	0	0	0	105.9	H294 F298 W327 L359	H294-I296 PolarHBondContact O-N 3.41Å; I296-F298 HydrophobicContact CB-CE2 4.2Å; I296-F298 HydrophobicContact CB-CZ 4.11Å; I296-F298 HydrophobicContact CG2-CD1 4.07Å; I296-F298 HydrophobicContact CG2-CD2 4.3Å; I296-F298 HydrophobicContact CG2-CE1 3.54Å; I296-F298 HydrophobicContact CG2-CE2 3.84Å; I296-F298 HydrophobicContact CG2-CG 4.43Å; I296-F298 HydrophobicContact CG2-CZ 3.45Å; I296-F298 VanDerWaalsContact CG2-CZ 3.45Å; I296-W327 HydrophobicContact CD1-CH2 3.9Å; I296-W327 HydrophobicContact CD1-CZ3 4.41Å; I296-W327 HydrophobicContact CG1-CH2 4.34Å; I296-L359 HydrophobicContact CD1-CD1 3.36Å; I296-L359 HydrophobicContact CD1-CD2 4.4Å
297	M	45.7	Very low	56	Low	127 Å²	127	100.8 Å²	100.8	63%	0.626	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	115.9	168.8	-76.5	175.1	38.4	0	0	107.8	T322	M297-T322 HydrophobicContact CE-CG2 4.3Å
298	F	51.6	Low	53.1	Low	54 Å²	54	96.3 Å²	96.3	24%	0.237	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	121.8	165.4	-56.9	-74.8	0	0	0	107.3	I296 H323 V325 R362	I296-F298 HydrophobicContact CB-CE2 4.2Å; I296-F298 HydrophobicContact CB-CZ 4.11Å; I296-F298 HydrophobicContact CG2-CD1 4.07Å; I296-F298 HydrophobicContact CG2-CD2 4.3Å; I296-F298 HydrophobicContact CG2-CE1 3.54Å; I296-F298 HydrophobicContact CG2-CE2 3.84Å; I296-F298 HydrophobicContact CG2-CG 4.43Å; I296-F298 HydrophobicContact CG2-CZ 3.45Å; I296-F298 VanDerWaalsContact CG2-CZ 3.45Å; F298-H323 PolarHBondContact N-O 2.87Å; F298-H323 PolarHBondContact O-N 3Å; F298-V325 HydrophobicContact CD2-CG2 4.45Å; F298-V325 HydrophobicContact CE2-CG2 4.11Å; F298-R362 HydrophobicContact CD1-CB 4.5Å; F298-R362 HydrophobicContact CE1-CB 3.91Å; F298-R362 WeakPolarHBondContact CE1-O 3.27Å; F298-R362 WeakPolarHBondContact CZ-O 3.23Å
299	G	37.6	Very low	50.1	Low	38 Å²	38	103.7 Å²	103.7	39%	0.392	52%	0.516	S	S	.	.			trans	-126.2	106.7	167.2	0	0	0	0	0	108.5
300	Y	46.7	Very low	47.2	Very low	165 Å²	165	97.9 Å²	97.9	65%	0.647	50%	0.495	S	S	*	.			trans	-156.4	138.5	163.7	-78.2	-68	0	0	0	112.8
301	T	34.2	Very low	44.3	Very low	108 Å²	108	104.7 Å²	104.7	66%	0.663	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	127.1	154.3	38.2	0	0	0	0	110.9	A320	T301-A320 HydrophobicContact CG2-CB 4.22Å
302	S	32.4	Very low	41.7	Very low	124 Å²	124	108.6 Å²	108.6	87%	0.867	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	44.2	168.5	-155.9	0	0	0	0	118.3
303	L	34.3	Very low	39.3	Very low	142 Å²	142	111.2 Å²	111.2	74%	0.743	56%	0.555	S	S	*	*			trans	-119.8	122.7	158	-75.5	167.7	0	0	0	109.2
304	R	31.2	Very low	37.7	Very low	222 Å²	222	111.9 Å²	111.9	84%	0.838	57%	0.573	S	S	*	*			trans	-51.2	130.7	-179.9	-60	-178.2	-160.3	-174.8	3.6	109.4	F306	R304-F306 PolarHBondContact O-N 3.04Å
305	P	33.4	Very low	36.6	Very low	68 Å²	68	111.8 Å²	111.8	44%	0.442	58%	0.581	S	S	.	*	S	Bend	trans	-59.4	134.3	178.9	26	-32.9	0	0	0	108.5
306	F	40.9	Very low	35.7	Very low	60 Å²	60	113.5 Å²	113.5	26%	0.263	59%	0.593	S	S	.	*			trans	26.2	99	165.3	-73.8	-94	0	0	0	115	R304 I308 H323 V325	R304-F306 PolarHBondContact O-N 3.04Å; F306-I308 PolarHBondContact O-N 2.63Å; F306-H323 AromaticContact CE2-CD2 3.69Å; F306-V325 HydrophobicContact CZ-CG2 3.99Å
307	D	31.5	Very low	34.9	Very low	102 Å²	102	115.2 Å²	115.2	55%	0.545	60%	0.602	S	S	.	*			trans	-71.2	58.4	169.6	-131.2	15.7	0	0	0	109.7	R309	D307-R309 PolarHBondContact O-N 2.91Å; D307-R309 WeakPolarHBondContact OD1-CG 3.5Å; D307-R309 IonicContact OD1-NE 3.69Å; D307-R309 IonicContact OD2-NE 3.53Å; D307-R309 PolarHBondContact OD2-NE 3.47Å; D307-R309 IonicContact OD2-NH2 3.8Å
308	I	37.5	Very low	34.3	Very low	53 Å²	53	117 Å²	117	27%	0.272	61%	0.614	S	S	.	*			trans	-72.4	87.7	139.9	-59.1	178.3	0	0	0	103	F306 L310 A366	F306-I308 PolarHBondContact O-N 2.63Å; I308-L310 HydrophobicContact CG2-CD1 3.71Å; I308-L310 HydrophobicContact CG2-CG 3.81Å; I308-L310 PolarHBondContact O-N 3.5Å; I308-A366 HydrophobicContact CG1-CB 4.37Å
309	R	29.6	Very low	33.6	Very low	204 Å²	204	118 Å²	118	77%	0.77	63%	0.628	S	S	*	*			trans	-63.1	81.7	167.1	-72	-170.6	-177.5	-154.7	2.6	108.5	D307	D307-R309 PolarHBondContact O-N 2.91Å; D307-R309 WeakPolarHBondContact OD1-CG 3.5Å; D307-R309 IonicContact OD1-NE 3.69Å; D307-R309 IonicContact OD2-NE 3.53Å; D307-R309 PolarHBondContact OD2-NE 3.47Å; D307-R309 IonicContact OD2-NH2 3.8Å
310	L	30.6	Very low	34	Very low	78 Å²	78	119.1 Å²	119.1	41%	0.408	63%	0.634	S	S	.	*			trans	-94.2	120.1	149.8	-73	162.1	0	0	0	104.7	I308 H312	I308-L310 HydrophobicContact CG2-CD1 3.71Å; I308-L310 HydrophobicContact CG2-CG 3.81Å; I308-L310 PolarHBondContact O-N 3.5Å; L310-H312 PolarHBondContact O-N 2.79Å
311	L	28.7	Very low	34.3	Very low	173 Å²	173	113.7 Å²	113.7	91%	0.906	61%	0.614	S	S	*	*	S	Bend	trans	-52.6	99.2	175.9	-73.5	135.3	0	0	0	109.1
312	H	27.5	Very low	35.3	Very low	145 Å²	145	111.3 Å²	111.3	67%	0.671	60%	0.6	S	S	*	*			trans	-178.7	121.2	138.7	-108	-88.5	0	0	0	110.6	L310	L310-H312 PolarHBondContact O-N 2.79Å
313	E	28.7	Very low	36.8	Very low	125 Å²	125	106.7 Å²	106.7	58%	0.584	56%	0.564	S	S	*	*			trans	64.8	107.3	156.6	-69.5	168.2	-171	0	0	119.1	T315	E313-T315 PolarHBondContact O-N 3.09Å
314	S	28.3	Very low	38.6	Very low	125 Å²	125	104.3 Å²	104.3	87%	0.874	55%	0.545	S	S	*	.			trans	-59.5	98.8	158.9	50.1	0	0	0	0	110.8
315	T	31.1	Very low	40.7	Very low	111 Å²	111	94 Å²	94	68%	0.681	51%	0.507	S	S	*	.			trans	-91.1	115.8	159.5	18.5	0	0	0	0	107.9	E313 L317	E313-T315 PolarHBondContact O-N 3.09Å; T315-L317 PolarHBondContact O-N 2.8Å
316	S	33.6	Very low	42.8	Very low	109 Å²	109	91.2 Å²	91.2	76%	0.762	49%	0.489	S	S	*	.			trans	-69.3	109.9	170.3	57.5	0	0	0	0	108.5
317	L	37.5	Very low	44.8	Very low	86 Å²	86	89.9 Å²	89.9	45%	0.45	48%	0.482	S	S	.	.			trans	-98	97.4	170.4	-123.5	80	0	0	0	108.4	T315 S319 E321	T315-L317 PolarHBondContact O-N 2.8Å; L317-S319 VanDerWaalsContact C-N 3.29Å; L317-S319 PolarHBondContact O-N 2.9Å; L317-S319 VanDerWaalsContact O-N 3.09Å; L317-E321 VanDerWaalsContact CD2-OE1 3.32Å; L317-E321 WeakPolarHBondContact CD2-OE1 3.39Å
318	D	32.5	Very low	47.3	Very low	165 Å²	165	85 Å²	85	88%	0.882	46%	0.457	S	S	*	.			trans	-77	76.4	168.5	-86.2	-25.4	0	0	0	109.9
319	S	38.5	Very low	49.4	Very low	74 Å²	74	88.5 Å²	88.5	52%	0.517	47%	0.47	S	S	.	.	S	Bend	trans	-160.5	147	154.3	63.4	0	0	0	0	111.5	L317 E321	L317-S319 VanDerWaalsContact C-N 3.29Å; L317-S319 PolarHBondContact O-N 2.9Å; L317-S319 VanDerWaalsContact O-N 3.09Å; S319-E321 VanDerWaalsContact C-N 3.29Å; S319-E321 PolarHBondContact O-N 2.97Å
320	A	44.5	Very low	52.2	Low	63 Å²	63	86.2 Å²	86.2	52%	0.521	47%	0.466	S	S	.	.			trans	-73.8	78	178.6	0	0	0	0	0	110.9	T301 T322	T301-A320 HydrophobicContact CG2-CB 4.22Å; A320-T322 PolarHBondContact O-N 2.71Å
321	E	53.4	Low	55	Low	51 Å²	51	85.2 Å²	85.2	24%	0.238	47%	0.465	C	S	.	.			trans	-75.3	120.7	176.6	-73.6	-173.6	173.4	0	0	111.1	L317 S319 H323 R348 V442	L317-E321 VanDerWaalsContact CD2-OE1 3.32Å; L317-E321 WeakPolarHBondContact CD2-OE1 3.39Å; S319-E321 VanDerWaalsContact C-N 3.29Å; S319-E321 PolarHBondContact O-N 2.97Å; E321-H323 PolarHBondContact O-N 2.84Å; E321-H323 PolarHBondContact O-ND1 2.99Å; E321-H323 IonicContact OE2-CE1 2.95Å; E321-H323 IonicContact OE2-NE2 2.75Å; E321-R348 IonicContact OE1-NH1 3.78Å; E321-R348 IonicContact OE2-NH1 3.62Å; E321-R348 PolarHBondContact OE2-NH1 3.33Å; E321-V442 HydrophobicContact CB-CG1 3.78Å; E321-V442 HydrophobicContact CG-CG1 3.97Å
322	T	55.9	Low	58	Low	58 Å²	58	77.9 Å²	77.9	36%	0.356	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	115.5	175.2	-58.6	0	0	0	0	109.8	M297 A320 Y443	M297-T322 HydrophobicContact CE-CG2 4.3Å; A320-T322 PolarHBondContact O-N 2.71Å; T322-Y443 PolarHBondContact O-N 3.38Å
323	H	64.2	Low	61.1	Low	27 Å²	27	74.7 Å²	74.7	13%	0.125	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.9	-178.5	-69.8	72.5	0	0	0	110.6	F298 F306 E321 V442	F298-H323 PolarHBondContact N-O 2.87Å; F298-H323 PolarHBondContact O-N 3Å; F306-H323 AromaticContact CE2-CD2 3.69Å; E321-H323 PolarHBondContact O-N 2.84Å; E321-H323 PolarHBondContact O-ND1 2.99Å; E321-H323 IonicContact OE2-CE1 2.95Å; E321-H323 IonicContact OE2-NE2 2.75Å; H323-V442 WeakPolarHBondContact CD2-CG2 3.34Å; H323-V442 VanDerWaalsContact NE2-CG2 3.25Å; H323-V442 WeakPolarHBondContact NE2-CG2 3.3Å
324	R	71.1	Confident	64.2	Low	92 Å²	92	78 Å²	78	35%	0.347	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.4	169.8	-179.5	180	-72.1	-178.7	-6.1	109	S440 A441 Y443	R324-S440 CarbonylContact O-C 3.55Å; R324-S440 VanDerWaalsContact O-CA 3.24Å; R324-S440 WeakPolarHBondContact O-CA 3.4Å; R324-A441 PolarHBondContact N-O 3.17Å; R324-A441 PolarHBondContact O-N 2.8Å; R324-Y443 HydrophobicContact CB-CD2 4.33Å; R324-Y443 HydrophobicContact CB-CE2 3.64Å; R324-Y443 HydrophobicContact CG-CE2 4.36Å; R324-Y443 PolarHBondContact NH1-OH 3.39Å
325	V	75.9	Confident	67.3	Low	5 Å²	5	73 Å²	73	3%	0.03	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	139.2	171.6	-176.1	0	0	0	0	108.9	F298 F306 F438	F298-V325 HydrophobicContact CD2-CG2 4.45Å; F298-V325 HydrophobicContact CE2-CG2 4.11Å; F306-V325 HydrophobicContact CZ-CG2 3.99Å; V325-F438 HydrophobicContact CG1-CE2 3.51Å; V325-F438 HydrophobicContact CG1-CZ 3.67Å
326	S	77.4	Confident	70.3	Confident	10 Å²	10	72 Å²	72	7%	0.07	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	142.7	-176.8	-67.5	0	0	0	0	111.5	F439	S326-F439 PolarHBondContact N-O 3.41Å; S326-F439 PolarHBondContact O-N 3.18Å; S326-F439 VanDerWaalsContact O-O 3.06Å
327	W	83	Confident	73.3	Confident	31 Å²	31	69.6 Å²	69.6	12%	0.117	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	154.1	176.5	53.6	90.4	0	0	0	111.7	F292 K293 H294 I296 P357 L359 P437	F292-W327 CarbonylContact C-O 3.53Å; F292-W327 WeakPolarHBondContact CA-O 3.48Å; K293-W327 PolarHBondContact N-O 2.82Å; H294-W327 HydrophobicContact CB-CH2 4.1Å; H294-W327 HydrophobicContact CB-CZ2 3.82Å; I296-W327 HydrophobicContact CD1-CH2 3.9Å; I296-W327 HydrophobicContact CD1-CZ3 4.41Å; I296-W327 HydrophobicContact CG1-CH2 4.34Å; W327-P357 HydrophobicContact CB-CG 4.43Å; W327-P357 HydrophobicContact CD2-CB 4.09Å; W327-P357 HydrophobicContact CD2-CG 3.71Å; W327-P357 HydrophobicContact CE3-CB 4.2Å; W327-P357 HydrophobicContact CE3-CG 4.32Å; W327-P357 HydrophobicContact CG-CB 4.39Å; W327-P357 HydrophobicContact CG-CG 3.74Å; W327-P357 HydrophobicContact CZ2-CG 4.37Å; W327-L359 HydrophobicContact CH2-CD1 4.25Å; W327-P437 CarbonylContact C-O 3.5Å; W327-P437 VanDerWaalsContact CA-O 3.27Å; W327-P437 WeakPolarHBondContact CA-O 3.49Å
328	G	83.8	Confident	76.1	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	139.2	-179	0	0	0	0	0	112.3	K330 R436 P437	G328-K330 VanDerWaalsContact C-N 3.26Å; G328-K330 PolarHBondContact O-N 3.34Å; G328-R436 PolarHBondContact O-NH1 3.06Å; G328-P437 PolarHBondContact N-O 3.05Å
329	K	82.6	Confident	79.1	Confident	125 Å²	125	58 Å²	58	54%	0.543	29%	0.294	S	S	.	.	S	Bend	trans	-57.7	-40.7	172.4	-78.7	-179.5	-178.3	-177.1	0	111.6	S291 K293 R436	S291-K329 WeakPolarHBondContact O-CB 3.38Å; S291-K329 PolarHBondContact O-N 3.02Å; K293-K329 HydrophobicContact CB-CG 3.66Å; K293-K329 HydrophobicContact CG-CG 4.16Å; K329-R436 PolarHBondContact O-NH1 2.83Å
330	K	86.6	Confident	81.8	Confident	157 Å²	157	56.2 Å²	56.2	68%	0.683	28%	0.277	S	S	*	.	S	Bend	trans	-96.5	142	-178.9	-62.5	-175.7	178.5	-177	0	110.5	G328 F332	G328-K330 VanDerWaalsContact C-N 3.26Å; G328-K330 PolarHBondContact O-N 3.34Å; K330-F332 HydrophobicContact CB-CZ 4.47Å
331	S	90.2	Very high	84	Confident	57 Å²	57	54 Å²	54	40%	0.399	26%	0.258	S	S	.	.			trans	-97.5	147.9	165.4	52.8	0	0	0	0	109.8	V435	S331-V435 CarbonylContact C-O 3.55Å; S331-V435 WeakPolarHBondContact CA-O 3.11Å
332	F	92.3	Very high	85.7	Confident	19 Å²	19	54.8 Å²	54.8	8%	0.083	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-118.1	129	179.4	-59.6	-76.9	0	0	0	109.5	I290 K330 Y337 L405 A434 V435 P437	I290-F332 HydrophobicContact CD1-CE2 3.88Å; I290-F332 HydrophobicContact CD1-CZ 3.72Å; K330-F332 HydrophobicContact CB-CZ 4.47Å; F332-Y337 HydrophobicContact CB-CD2 4.12Å; F332-Y337 HydrophobicContact CB-CE2 3.87Å; F332-Y337 HydrophobicContact CD1-CD1 4.06Å; F332-Y337 AromaticContact CD1-CD2 3.63Å; F332-Y337 HydrophobicContact CD1-CD2 3.63Å; F332-Y337 AromaticContact CD1-CE1 3.81Å; F332-Y337 HydrophobicContact CD1-CE1 3.81Å; F332-Y337 AromaticContact CD1-CE2 3.33Å; F332-Y337 HydrophobicContact CD1-CE2 3.33Å; F332-Y337 AromaticContact CD1-CG 3.97Å; F332-Y337 HydrophobicContact CD1-CG 3.97Å; F332-Y337 AromaticContact CD1-CZ 3.42Å; F332-Y337 VanDerWaalsContact CD1-CZ 3.42Å; F332-Y337 AromaticContact CE1-CD1 3.86Å; F332-Y337 HydrophobicContact CE1-CD1 3.86Å; F332-Y337 HydrophobicContact CE1-CD2 4.21Å; F332-Y337 AromaticContact CE1-CE1 3.78Å; F332-Y337 HydrophobicContact CE1-CE1 3.78Å; F332-Y337 HydrophobicContact CE1-CE2 4.12Å; F332-Y337 HydrophobicContact CE1-CG 4.06Å; F332-Y337 AromaticContact CE1-CZ 3.9Å; F332-Y337 AromaticContact CG-CD2 3.94Å; F332-Y337 HydrophobicContact CG-CD2 3.94Å; F332-Y337 AromaticContact CG-CE2 3.88Å; F332-Y337 HydrophobicContact CG-CE2 3.88Å; F332-Y337 HydrophobicContact CG-CG 4.49Å; F332-L405 HydrophobicContact CB-CD2 3.82Å; F332-L405 HydrophobicContact CD2-CD2 4.11Å; F332-L405 HydrophobicContact CG-CD2 4.16Å; F332-A434 CarbonylContact O-C 3.59Å; F332-A434 VanDerWaalsContact O-CA 3.24Å; F332-A434 WeakPolarHBondContact O-CA 3.5Å; F332-V435 PolarHBondContact N-O 3.39Å; F332-V435 PolarHBondContact O-N 2.83Å; F332-P437 HydrophobicContact CD2-CG 4.22Å; F332-P437 HydrophobicContact CE2-CG 3.64Å
333	S	92	Very high	86.9	Confident	78 Å²	78	52.1 Å²	52.1	55%	0.545	25%	0.247	S	C	.	.			trans	-126.5	-15	179.5	55.6	0	0	0	0	113.6
334	R	93	Very high	87.6	Confident	193 Å²	193	56 Å²	56	73%	0.728	26%	0.264	S	S	*	.	S	Bend	trans	-149.4	148.9	-178.1	-59.8	-179.2	70.2	-176.6	2.4	108.4	Y337	R334-Y337 WeakPolarHBondContact O-CE2 3.33Å; R334-Y337 PolarHBondContact O-OH 3.42Å
335	G	93.9	Very high	88	Confident	20 Å²	20	57.7 Å²	57.7	21%	0.206	28%	0.279	C	S	.	.	S	Bend	trans	94.3	175.3	179.3	0	0	0	0	0	114.5	C407 E408	G335-C407 VanDerWaalsContact O-CB 3.26Å; G335-C407 WeakPolarHBondContact O-CB 3.46Å; G335-C407 PolarHBondContact O-N 3.43Å; G335-C407 PolarHBondContact O-SG 3.04Å; G335-E408 VanDerWaalsContact C-OE2 3.26Å; G335-E408 WeakPolarHBondContact CA-OE1 3.18Å; G335-E408 VanDerWaalsContact CA-OE2 3.32Å; G335-E408 WeakPolarHBondContact CA-OE2 3.18Å; G335-E408 VanDerWaalsContact N-CD 3.27Å; G335-E408 PolarHBondContact N-OE1 3.29Å; G335-E408 PolarHBondContact N-OE2 2.84Å
336	K	95.1	Very high	88.1	Confident	92 Å²	92	59.3 Å²	59.3	40%	0.4	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.7	177.9	-63.4	176.1	-177	-177.4	0	109.9	F286 F404 L405 D406	F286-K336 HydrophobicContact CD1-CB 3.63Å; F286-K336 HydrophobicContact CE1-CB 3.88Å; F286-K336 HydrophobicContact CE1-CD 4.03Å; F286-K336 HydrophobicContact CG-CB 4.15Å; F286-K336 HydrophobicContact CZ-CD 4.17Å; K336-F404 HydrophobicContact CB-CE2 4.1Å; K336-F404 HydrophobicContact CB-CZ 4.18Å; K336-F404 HydrophobicContact CD-CZ 4.19Å; K336-F404 HydrophobicContact CG-CZ 4.31Å; K336-L405 CarbonylContact C-O 3.55Å; K336-L405 VanDerWaalsContact CA-O 3.29Å; K336-L405 WeakPolarHBondContact CA-O 3.29Å; K336-D406 VanDerWaalsContact CE-OD2 3.31Å; K336-D406 WeakPolarHBondContact CE-OD2 3.28Å; K336-D406 HydrophobicContact CG-CB 4.39Å; K336-D406 IonicContact NZ-OD2 2.81Å
337	Y	96.3	Very high	88	Confident	58 Å²	58	65.4 Å²	65.4	23%	0.227	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	143.7	-173.1	-56.8	-75.5	0	0	0	111	V288 F332 R334 F404 L405	V288-Y337 HydrophobicContact CG1-CD1 3.81Å; V288-Y337 HydrophobicContact CG1-CE1 4.48Å; V288-Y337 HydrophobicContact CG2-CD1 4.17Å; F332-Y337 HydrophobicContact CB-CD2 4.12Å; F332-Y337 HydrophobicContact CB-CE2 3.87Å; F332-Y337 HydrophobicContact CD1-CD1 4.06Å; F332-Y337 AromaticContact CD1-CD2 3.63Å; F332-Y337 HydrophobicContact CD1-CD2 3.63Å; F332-Y337 AromaticContact CD1-CE1 3.81Å; F332-Y337 HydrophobicContact CD1-CE1 3.81Å; F332-Y337 AromaticContact CD1-CE2 3.33Å; F332-Y337 HydrophobicContact CD1-CE2 3.33Å; F332-Y337 AromaticContact CD1-CG 3.97Å; F332-Y337 HydrophobicContact CD1-CG 3.97Å; F332-Y337 AromaticContact CD1-CZ 3.42Å; F332-Y337 VanDerWaalsContact CD1-CZ 3.42Å; F332-Y337 AromaticContact CE1-CD1 3.86Å; F332-Y337 HydrophobicContact CE1-CD1 3.86Å; F332-Y337 HydrophobicContact CE1-CD2 4.21Å; F332-Y337 AromaticContact CE1-CE1 3.78Å; F332-Y337 HydrophobicContact CE1-CE1 3.78Å; F332-Y337 HydrophobicContact CE1-CE2 4.12Å; F332-Y337 HydrophobicContact CE1-CG 4.06Å; F332-Y337 AromaticContact CE1-CZ 3.9Å; F332-Y337 AromaticContact CG-CD2 3.94Å; F332-Y337 HydrophobicContact CG-CD2 3.94Å; F332-Y337 AromaticContact CG-CE2 3.88Å; F332-Y337 HydrophobicContact CG-CE2 3.88Å; F332-Y337 HydrophobicContact CG-CG 4.49Å; R334-Y337 WeakPolarHBondContact O-CE2 3.33Å; R334-Y337 PolarHBondContact O-OH 3.42Å; Y337-F404 CarbonylContact O-C 3.57Å; Y337-F404 WeakPolarHBondContact O-CA 3.28Å; Y337-F404 WeakPolarHBondContact O-CD2 3.21Å; Y337-L405 HydrophobicContact CD2-CD2 4.16Å; Y337-L405 PolarHBondContact N-O 3.25Å; Y337-L405 PolarHBondContact O-N 3.42Å
338	Y	96.6	Very high	87.9	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135.9	175.8	178.4	-112.4	0	0	0	110.9	L283 F286 R287 V288 E340 V403 F404 V415	L283-Y338 HydrophobicContact CB-CD1 4.01Å; L283-Y338 HydrophobicContact CB-CD2 3.79Å; L283-Y338 HydrophobicContact CB-CE1 4.08Å; L283-Y338 HydrophobicContact CB-CE2 3.85Å; L283-Y338 HydrophobicContact CB-CG 3.87Å; L283-Y338 HydrophobicContact CD1-CD2 4.17Å; L283-Y338 HydrophobicContact CD1-CE2 3.8Å; L283-Y338 HydrophobicContact CG-CD2 4.38Å; L283-Y338 HydrophobicContact CG-CE2 4.38Å; L283-Y338 WeakPolarHBondContact O-CB 3.26Å; L283-Y338 VanDerWaalsContact O-CD1 3.31Å; L283-Y338 WeakPolarHBondContact O-CD1 3.48Å; F286-Y338 PolarHBondContact O-N 2.98Å; R287-Y338 CarbonylContact C-O 3.54Å; R287-Y338 WeakPolarHBondContact CA-O 3.31Å; R287-Y338 HydrophobicContact CB-CD1 4.44Å; R287-Y338 HydrophobicContact CG-CD1 4.35Å; V288-Y338 WeakPolarHBondContact CG2-O 3.26Å; V288-Y338 PolarHBondContact N-O 3.15Å; Y338-E340 HydrophobicContact CE1-CG 3.74Å; Y338-E340 VanDerWaalsContact CE1-OE1 3.24Å; Y338-E340 WeakPolarHBondContact CE1-OE1 3.16Å; Y338-E340 VanDerWaalsContact OH-CG 3.24Å; Y338-E340 WeakPolarHBondContact OH-CG 3.3Å; Y338-E340 PolarHBondContact OH-OE1 2.85Å; Y338-V403 WeakPolarHBondContact CA-O 3.24Å; Y338-V403 WeakPolarHBondContact CD2-O 3.23Å; Y338-F404 HydrophobicContact CD2-CB 4.14Å; Y338-V415 HydrophobicContact CE2-CG2 3.98Å
339	W	95.6	Very high	88	Confident	7 Å²	7	65.8 Å²	65.8	3%	0.027	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	160.8	170.8	68.3	93.3	0	0	0	110.9	I290 V353 G402 V403 L405 P437	I290-W339 HydrophobicContact CB-CG 4.49Å; I290-W339 HydrophobicContact CD1-CD2 4.31Å; I290-W339 HydrophobicContact CD1-CE3 4.27Å; I290-W339 HydrophobicContact CD1-CG 4.46Å; I290-W339 HydrophobicContact CG1-CB 3.67Å; I290-W339 HydrophobicContact CG1-CD2 3.7Å; I290-W339 HydrophobicContact CG1-CE3 4.16Å; I290-W339 HydrophobicContact CG1-CG 3.47Å; I290-W339 VanDerWaalsContact CG1-CG 3.47Å; W339-V353 HydrophobicContact CH2-CG1 3.68Å; W339-V353 HydrophobicContact CZ2-CG1 4.16Å; W339-G402 CarbonylContact O-C 3.57Å; W339-G402 WeakPolarHBondContact O-CA 3.49Å; W339-V403 HydrophobicContact CD2-CB 4Å; W339-V403 HydrophobicContact CE3-CB 4.44Å; W339-V403 HydrophobicContact CH2-CB 4.06Å; W339-V403 HydrophobicContact CH2-CG1 3.52Å; W339-V403 HydrophobicContact CZ2-CB 3.59Å; W339-V403 HydrophobicContact CZ2-CG1 3.34Å; W339-V403 HydrophobicContact CZ2-CG2 4.16Å; W339-V403 HydrophobicContact CZ3-CB 4.45Å; W339-V403 HydrophobicContact CZ3-CG1 4.21Å; W339-V403 PolarHBondContact N-O 3.37Å; W339-V403 PolarHBondContact O-N 2.75Å; W339-L405 HydrophobicContact CH2-CB 4.22Å; W339-L405 HydrophobicContact CZ3-CB 3.88Å; W339-L405 HydrophobicContact CZ3-CD2 4.41Å; W339-P437 HydrophobicContact CH2-CB 4.34Å; W339-P437 HydrophobicContact CH2-CG 4.2Å; W339-P437 HydrophobicContact CZ2-CB 3.78Å; W339-P437 HydrophobicContact CZ2-CG 4.09Å
340	E	94.6	Very high	88.2	Confident	36 Å²	36	60.1 Å²	60.1	17%	0.168	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	141.5	-177.1	-67.5	166.9	166.9	0	0	109.5	R287 Y338 Q400 V417	R287-E340 IonicContact CZ-OE2 2.94Å; R287-E340 IonicContact NE-OE2 3.95Å; R287-E340 IonicContact NH2-OE2 3.97Å; R287-E340 PolarHBondContact NH2-OE2 3.05Å; Y338-E340 HydrophobicContact CE1-CG 3.74Å; Y338-E340 VanDerWaalsContact CE1-OE1 3.24Å; Y338-E340 WeakPolarHBondContact CE1-OE1 3.16Å; Y338-E340 VanDerWaalsContact OH-CG 3.24Å; Y338-E340 WeakPolarHBondContact OH-CG 3.3Å; Y338-E340 PolarHBondContact OH-OE1 2.85Å; E340-Q400 HydrophobicContact CB-CB 4.45Å; E340-V417 HydrophobicContact CG-CG2 3.89Å
341	V	90.6	Very high	88.4	Confident	18 Å²	18	52.7 Å²	52.7	11%	0.109	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.9	178.6	-169.7	0	0	0	0	108.2	L343 V351 Q400 V401 F439	V341-L343 HydrophobicContact CB-CD1 4.41Å; V341-L343 HydrophobicContact CB-CD2 4.43Å; V341-L343 HydrophobicContact CB-CG 4.24Å; V341-L343 HydrophobicContact CG1-CD1 4.42Å; V341-L343 HydrophobicContact CG1-CD2 3.61Å; V341-L343 HydrophobicContact CG1-CG 3.91Å; V341-L343 PolarHBondContact O-N 3.45Å; V341-V351 HydrophobicContact CB-CG2 4.39Å; V341-V351 HydrophobicContact CG2-CG2 3.82Å; V341-Q400 VanDerWaalsContact O-CA 3.3Å; V341-Q400 WeakPolarHBondContact O-CA 3.32Å; V341-V401 PolarHBondContact N-O 3.29Å; V341-V401 PolarHBondContact O-N 3.18Å; V341-F439 HydrophobicContact CG1-CD2 4.1Å; V341-F439 HydrophobicContact CG1-CE2 4.26Å
342	D	88.8	Confident	88.4	Confident	67 Å²	67	50 Å²	50	36%	0.358	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	117.3	173.5	-169.5	-7.5	0	0	0	109.6	K344 Q400	D342-K344 WeakPolarHBondContact OD1-CG 3.23Å; D342-K344 PolarHBondContact OD1-N 3.48Å; D342-K344 IonicContact OD2-NZ 3.59Å; D342-Q400 HydrophobicContact CB-CG 4.11Å
343	L	82.5	Confident	88.4	Confident	2 Å²	2	49 Å²	49	1%	0.01	23%	0.228	C	C	.	.			trans	-123.3	7.9	-171.3	-62.4	173.2	0	0	0	112.7	V341 D345 Y346 W349 V351 G399 V401 F439	V341-L343 HydrophobicContact CB-CD1 4.41Å; V341-L343 HydrophobicContact CB-CD2 4.43Å; V341-L343 HydrophobicContact CB-CG 4.24Å; V341-L343 HydrophobicContact CG1-CD1 4.42Å; V341-L343 HydrophobicContact CG1-CD2 3.61Å; V341-L343 HydrophobicContact CG1-CG 3.91Å; V341-L343 PolarHBondContact O-N 3.45Å; L343-D345 VanDerWaalsContact C-N 3.34Å; L343-D345 PolarHBondContact O-N 3.26Å; L343-Y346 HydrophobicContact CD2-CD2 4.33Å; L343-Y346 PolarHBondContact O-N 3.04Å; L343-W349 HydrophobicContact CB-CD2 4.26Å; L343-W349 HydrophobicContact CB-CG 4.25Å; L343-W349 HydrophobicContact CB-CZ2 4.49Å; L343-W349 HydrophobicContact CD1-CD2 3.59Å; L343-W349 HydrophobicContact CD1-CE3 3.62Å; L343-W349 HydrophobicContact CD1-CG 4.18Å; L343-W349 HydrophobicContact CD1-CH2 4.03Å; L343-W349 HydrophobicContact CD1-CZ2 3.98Å; L343-W349 HydrophobicContact CD1-CZ3 3.86Å; L343-W349 HydrophobicContact CD2-CB 4.14Å; L343-W349 HydrophobicContact CD2-CD2 4.37Å; L343-W349 HydrophobicContact CD2-CG 4.1Å; L343-W349 HydrophobicContact CG-CD2 4.29Å; L343-W349 HydrophobicContact CG-CG 4.41Å; L343-V351 HydrophobicContact CD1-CB 4.44Å; L343-V351 HydrophobicContact CD1-CG1 4.26Å; L343-G399 PolarHBondContact N-O 3.45Å; L343-V401 HydrophobicContact CD1-CB 3.87Å; L343-V401 HydrophobicContact CD1-CG2 3.82Å; L343-F439 HydrophobicContact CD2-CD2 4.07Å; L343-F439 HydrophobicContact CD2-CE2 3.39Å; L343-F439 HydrophobicContact CD2-CZ 4.3Å
344	K	78.9	Confident	88.1	Confident	109 Å²	109	45.3 Å²	45.3	47%	0.474	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-41.2	-170.9	73.8	-169.6	-178.3	-174.1	0	113.1	D342 Y346	D342-K344 WeakPolarHBondContact OD1-CG 3.23Å; D342-K344 PolarHBondContact OD1-N 3.48Å; D342-K344 IonicContact OD2-NZ 3.59Å; K344-Y346 VanDerWaalsContact C-N 3.3Å; K344-Y346 PolarHBondContact O-N 3.41Å
345	D	78.9	Confident	87.4	Confident	126 Å²	126	40.6 Å²	40.6	67%	0.674	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-4.6	-172.1	-59.4	-46	0	0	0	112.9	L343	L343-D345 VanDerWaalsContact C-N 3.34Å; L343-D345 PolarHBondContact O-N 3.26Å
346	Y	77.6	Confident	86.3	Confident	39 Å²	39	44.2 Å²	44.2	15%	0.153	20%	0.201	C	C	.	.			trans	-95.9	131.8	-175.5	-62.4	-82.7	0	0	0	112.1	L343 K344 K396 F439 A441 Y443	L343-Y346 HydrophobicContact CD2-CD2 4.33Å; L343-Y346 PolarHBondContact O-N 3.04Å; K344-Y346 VanDerWaalsContact C-N 3.3Å; K344-Y346 PolarHBondContact O-N 3.41Å; Y346-K396 PolarHBondContact O-NZ 3.24Å; Y346-F439 HydrophobicContact CE1-CZ 4.47Å; Y346-F439 HydrophobicContact CE2-CZ 4.39Å; Y346-A441 HydrophobicContact CD1-CB 3.29Å; Y346-A441 HydrophobicContact CE1-CB 3.53Å; Y346-A441 HydrophobicContact CG-CB 3.83Å; Y346-Y443 HydrophobicContact CD1-CD1 4.36Å; Y346-Y443 HydrophobicContact CD1-CE1 4.27Å; Y346-Y443 AromaticContact CE1-CD1 3.65Å; Y346-Y443 HydrophobicContact CE1-CD1 3.65Å; Y346-Y443 HydrophobicContact CE1-CD2 4.45Å; Y346-Y443 AromaticContact CE1-CE1 3.17Å; Y346-Y443 HydrophobicContact CE1-CE1 3.17Å; Y346-Y443 HydrophobicContact CE1-CE2 4.06Å; Y346-Y443 HydrophobicContact CE1-CG 4.26Å; Y346-Y443 AromaticContact CE1-CZ 3.39Å; Y346-Y443 AromaticContact CZ-CE1 3.6Å; Y346-Y443 AromaticContact CZ-CZ 3.82Å; Y346-Y443 VanDerWaalsContact OH-CE1 3.28Å; Y346-Y443 WeakPolarHBondContact OH-CE1 3.37Å; Y346-Y443 PolarHBondContact OH-OH 3.43Å
347	R	74.5	Confident	84.7	Confident	138 Å²	138	41.3 Å²	41.3	52%	0.521	19%	0.192	S	C	.	.	S	Bend	trans	-78	-33.2	175.7	-68.2	-171.5	178.2	-174.2	3.3	113	Y382 T444	R347-Y382 WeakPolarHBondContact O-CE1 3.28Å; R347-T444 HydrophobicContact CG-CG2 4.27Å
348	R	82.1	Confident	82.9	Confident	39 Å²	39	46.3 Å²	46.3	15%	0.147	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	131.2	176.8	170.5	179.2	-74.7	137.6	-3.7	108.4	E321 C375 L376 A441 V442	E321-R348 IonicContact OE1-NH1 3.78Å; E321-R348 IonicContact OE2-NH1 3.62Å; E321-R348 PolarHBondContact OE2-NH1 3.33Å; R348-C375 WeakPolarHBondContact CA-O 3.32Å; R348-L376 HydrophobicContact CG-CD2 3.91Å; R348-A441 WeakPolarHBondContact O-CA 3.42Å; R348-V442 HydrophobicContact CB-CB 4.17Å; R348-V442 HydrophobicContact CB-CG2 3.99Å; R348-V442 HydrophobicContact CG-CG2 4.03Å; R348-V442 PolarHBondContact O-N 2.81Å
349	W	85.5	Confident	80.9	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	156.6	179	54.4	-103.3	0	0	0	112.3	L343 V351 L373 E374 C375 L384 V401 S440 A441	L343-W349 HydrophobicContact CB-CD2 4.26Å; L343-W349 HydrophobicContact CB-CG 4.25Å; L343-W349 HydrophobicContact CB-CZ2 4.49Å; L343-W349 HydrophobicContact CD1-CD2 3.59Å; L343-W349 HydrophobicContact CD1-CE3 3.62Å; L343-W349 HydrophobicContact CD1-CG 4.18Å; L343-W349 HydrophobicContact CD1-CH2 4.03Å; L343-W349 HydrophobicContact CD1-CZ2 3.98Å; L343-W349 HydrophobicContact CD1-CZ3 3.86Å; L343-W349 HydrophobicContact CD2-CB 4.14Å; L343-W349 HydrophobicContact CD2-CD2 4.37Å; L343-W349 HydrophobicContact CD2-CG 4.1Å; L343-W349 HydrophobicContact CG-CD2 4.29Å; L343-W349 HydrophobicContact CG-CG 4.41Å; W349-V351 HydrophobicContact CE3-CG1 4.19Å; W349-V351 HydrophobicContact CZ3-CG1 3.8Å; W349-L373 HydrophobicContact CH2-CD2 4.01Å; W349-L373 HydrophobicContact CH2-CG 4.3Å; W349-L373 HydrophobicContact CZ3-CD2 4.1Å; W349-L373 HydrophobicContact CZ3-CG 4.06Å; W349-E374 CarbonylContact O-C 3.59Å; W349-E374 WeakPolarHBondContact O-CA 3.21Å; W349-C375 HydrophobicContact CD2-CB 3.46Å; W349-C375 VanDerWaalsContact CD2-CB 3.46Å; W349-C375 HydrophobicContact CE3-CB 3.87Å; W349-C375 HydrophobicContact CG-CB 4.06Å; W349-C375 HydrophobicContact CH2-CB 3.76Å; W349-C375 HydrophobicContact CZ2-CB 3.35Å; W349-C375 HydrophobicContact CZ3-CB 4Å; W349-C375 PolarHBondContact N-O 3.43Å; W349-C375 VanDerWaalsContact N-O 3.1Å; W349-C375 PolarHBondContact O-N 3.48Å; W349-L384 HydrophobicContact CH2-CD2 3.8Å; W349-L384 HydrophobicContact CZ2-CD2 4.16Å; W349-V401 HydrophobicContact CH2-CG2 3.88Å; W349-V401 HydrophobicContact CZ2-CG2 4.12Å; W349-S440 CarbonylContact C-O 3.6Å; W349-S440 VanDerWaalsContact CA-O 3.22Å; W349-S440 WeakPolarHBondContact CA-O 3.29Å; W349-A441 HydrophobicContact CB-CB 4.11Å
350	T	86.6	Confident	78.6	Confident	6 Å²	6	57.7 Å²	57.7	4%	0.037	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	131.7	173.1	-43.5	0	0	0	0	108.2	F372 L373 E374 F438 F439 S440	T350-F372 HydrophobicContact CG2-CB 3.69Å; T350-F372 HydrophobicContact CG2-CD2 4.23Å; T350-F372 HydrophobicContact CG2-CG 3.92Å; T350-L373 WeakPolarHBondContact CA-O 3.34Å; T350-E374 HydrophobicContact CG2-CB 4.29Å; T350-F438 HydrophobicContact CG2-CD1 4.47Å; T350-F438 HydrophobicContact CG2-CE1 4.12Å; T350-F439 CarbonylContact O-C 3.53Å; T350-F439 WeakPolarHBondContact O-CA 3.46Å; T350-S440 PolarHBondContact N-O 2.9Å; T350-S440 PolarHBondContact O-N 2.91Å
351	V	90.1	Very high	76.3	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	146.3	176.9	70.5	0	0	0	0	109.9	V341 L343 W349 F372 L373 V401 V403 F414	V341-V351 HydrophobicContact CB-CG2 4.39Å; V341-V351 HydrophobicContact CG2-CG2 3.82Å; L343-V351 HydrophobicContact CD1-CB 4.44Å; L343-V351 HydrophobicContact CD1-CG1 4.26Å; W349-V351 HydrophobicContact CE3-CG1 4.19Å; W349-V351 HydrophobicContact CZ3-CG1 3.8Å; V351-F372 WeakPolarHBondContact O-CA 3.43Å; V351-L373 HydrophobicContact CG1-CB 4.35Å; V351-L373 PolarHBondContact N-O 2.89Å; V351-L373 PolarHBondContact O-N 3.39Å; V351-V401 HydrophobicContact CG1-CG1 4.11Å; V351-V403 HydrophobicContact CG1-CG2 4.43Å; V351-V403 HydrophobicContact CG2-CG2 3.73Å; V351-F414 HydrophobicContact CG1-CD1 4.1Å; V351-F414 HydrophobicContact CG1-CE1 3.97Å; V351-F414 VanDerWaalsContact O-CE1 3.32Å; V351-F414 WeakPolarHBondContact O-CE1 3.34Å
352	G	92	Very high	74.4	Confident	0 Å²	0	68 Å²	68	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.7	-140.2	174.2	0	0	0	0	0	112.7	L371 F438	G352-L371 VanDerWaalsContact CA-O 3.3Å; G352-L371 WeakPolarHBondContact CA-O 3.41Å; G352-F438 PolarHBondContact N-O 3.17Å; G352-F438 PolarHBondContact O-N 3.31Å
353	V	90.8	Very high	72.6	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149.4	177.9	-55.4	0	0	0	0	112	W339 D370 L371 F372 L405 V412 V435 R436	W339-V353 HydrophobicContact CH2-CG1 3.68Å; W339-V353 HydrophobicContact CZ2-CG1 4.16Å; V353-D370 WeakPolarHBondContact O-CA 3.31Å; V353-L371 HydrophobicContact CG2-CB 4.04Å; V353-L371 HydrophobicContact CG2-CG 4.37Å; V353-L371 PolarHBondContact N-O 3.14Å; V353-L371 PolarHBondContact O-N 2.96Å; V353-F372 WeakPolarHBondContact O-CE1 3.49Å; V353-L405 HydrophobicContact CG1-CD1 4.35Å; V353-L405 HydrophobicContact CG1-CD2 4.46Å; V353-V412 HydrophobicContact CG1-CG2 4.14Å; V353-V412 HydrophobicContact CG2-CG2 3.61Å; V353-V435 HydrophobicContact CB-CB 4.05Å; V353-V435 HydrophobicContact CB-CG2 4.06Å; V353-V435 HydrophobicContact CG1-CG2 4.4Å; V353-V435 HydrophobicContact CG2-CB 4.13Å; V353-V435 HydrophobicContact CG2-CG1 4.36Å; V353-V435 HydrophobicContact CG2-CG2 4.08Å; V353-R436 CarbonylContact C-O 3.56Å; V353-R436 WeakPolarHBondContact CA-O 3.3Å; V353-R436 WeakPolarHBondContact CB-O 3.4Å
354	C	85.8	Confident	71.5	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	155.9	177.3	65.8	0	0	0	0	112.6	Y364 D370 F372 V435 R436 F438	C354-Y364 WeakPolarHBondContact CB-OH 3.36Å; C354-D370 VanDerWaalsContact CA-OD1 3.24Å; C354-D370 WeakPolarHBondContact CA-OD1 3.36Å; C354-D370 WeakPolarHBondContact CB-OD1 3.42Å; C354-F372 HydrophobicContact CB-CE1 4.02Å; C354-F372 HydrophobicContact CB-CZ 3.85Å; C354-V435 CarbonylContact O-C 3.56Å; C354-V435 VanDerWaalsContact O-CA 3.28Å; C354-V435 WeakPolarHBondContact O-CA 3.31Å; C354-R436 PolarHBondContact N-O 3.35Å; C354-R436 PolarHBondContact O-N 2.85Å; C354-F438 HydrophobicContact CB-CB 4.48Å
355	K	79.5	Confident	70.6	Confident	94 Å²	94	67 Å²	67	41%	0.409	32%	0.324	S	S	.	.	S	Bend	trans	-80.4	143.8	163.1	-169.4	-179.4	-175.1	178.2	0	108.3	T369 D370	K355-T369 VanDerWaalsContact CB-OG1 3.23Å; K355-T369 WeakPolarHBondContact CB-OG1 3.31Å; K355-T369 HydrophobicContact CD-CG2 4.45Å; K355-T369 WeakPolarHBondContact CD-OG1 3.43Å; K355-D370 PolarHBondContact N-OD1 3.09Å; K355-D370 VanDerWaalsContact N-OD1 3.09Å
356	D	69.3	Low	69.8	Low	95 Å²	95	62.2 Å²	62.2	51%	0.508	30%	0.302	S	S	.	.	S	Bend	trans	-20.8	122.8	-166.7	-70.6	-54	0	0	0	116.1	W358 R436	D356-W358 PolarHBondContact O-N 3Å; D356-R436 IonicContact OD1-CZ 2.87Å; D356-R436 IonicContact OD1-NE 3.46Å; D356-R436 PolarHBondContact OD1-NE 2.71Å; D356-R436 IonicContact OD1-NH2 2.69Å
357	P	63.1	Low	69.1	Low	32 Å²	32	62.3 Å²	62.3	21%	0.208	31%	0.307	C	S	.	.			trans	-65.3	111.2	-170.4	26.7	-34.4	0	0	0	110.8	W327 Y364	W327-P357 HydrophobicContact CB-CG 4.43Å; W327-P357 HydrophobicContact CD2-CB 4.09Å; W327-P357 HydrophobicContact CD2-CG 3.71Å; W327-P357 HydrophobicContact CE3-CB 4.2Å; W327-P357 HydrophobicContact CE3-CG 4.32Å; W327-P357 HydrophobicContact CG-CB 4.39Å; W327-P357 HydrophobicContact CG-CG 3.74Å; W327-P357 HydrophobicContact CZ2-CG 4.37Å; P357-Y364 HydrophobicContact CB-CD2 4.48Å; P357-Y364 HydrophobicContact CB-CE2 4.04Å
358	W	56.9	Low	68.6	Low	162 Å²	162	60.5 Å²	60.5	61%	0.614	31%	0.313	S	S	*	.			trans	-101.9	115.6	175.3	-165.2	77.1	0	0	0	109.8	D356 R360	D356-W358 PolarHBondContact O-N 3Å; W358-R360 HydrophobicContact CE3-CB 4.1Å; W358-R360 HydrophobicContact CH2-CB 3.97Å; W358-R360 HydrophobicContact CH2-CG 3.72Å; W358-R360 HydrophobicContact CZ3-CB 3.52Å; W358-R360 HydrophobicContact CZ3-CG 3.75Å
359	L	55.6	Low	67.9	Low	69 Å²	69	60 Å²	60	36%	0.361	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116.4	178.6	-70	163.5	0	0	0	109.4	I296 W327	I296-L359 HydrophobicContact CD1-CD1 3.36Å; I296-L359 HydrophobicContact CD1-CD2 4.4Å; W327-L359 HydrophobicContact CH2-CD1 4.25Å
360	R	47.4	Very low	67.7	Low	177 Å²	177	59.9 Å²	59.9	67%	0.668	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	114	169.1	-156.8	-177.6	-163.7	-176.7	3.1	108.8	W358 R362 S363 V365	W358-R360 HydrophobicContact CE3-CB 4.1Å; W358-R360 HydrophobicContact CH2-CB 3.97Å; W358-R360 HydrophobicContact CH2-CG 3.72Å; W358-R360 HydrophobicContact CZ3-CB 3.52Å; W358-R360 HydrophobicContact CZ3-CG 3.75Å; R360-R362 VanDerWaalsContact C-N 3.29Å; R360-R362 PolarHBondContact O-N 3.35Å; R360-R362 VanDerWaalsContact O-N 3.16Å; R360-S363 PolarHBondContact N-O 3.45Å; R360-S363 PolarHBondContact O-N 3.37Å; R360-V365 HydrophobicContact CB-CG2 4.47Å
361	G	45.7	Very low	67.7	Low	80 Å²	80	59.7 Å²	59.7	83%	0.825	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	41	171.3	0	0	0	0	0	114.6
362	R	51.7	Low	67.5	Low	192 Å²	192	60.3 Å²	60.3	73%	0.725	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	19.1	-176.9	-55	-178.6	-179.3	178.9	0.3	115.6	F298 R360	F298-R362 HydrophobicContact CD1-CB 4.5Å; F298-R362 HydrophobicContact CE1-CB 3.91Å; F298-R362 WeakPolarHBondContact CE1-O 3.27Å; F298-R362 WeakPolarHBondContact CZ-O 3.23Å; R360-R362 VanDerWaalsContact C-N 3.29Å; R360-R362 PolarHBondContact O-N 3.35Å; R360-R362 VanDerWaalsContact O-N 3.16Å
363	S	49.9	Very low	67.3	Low	58 Å²	58	60.3 Å²	60.3	41%	0.406	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	141.4	170.9	-175.8	0	0	0	0	111.6	R360	R360-S363 PolarHBondContact N-O 3.45Å; R360-S363 PolarHBondContact O-N 3.37Å
364	Y	60.6	Low	67	Low	20 Å²	20	61.6 Å²	61.6	8%	0.078	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	122.3	171.4	-179.5	-90.8	0	0	0	109.3	C354 P357 A366 D370 F372 F438	C354-Y364 WeakPolarHBondContact CB-OH 3.36Å; P357-Y364 HydrophobicContact CB-CD2 4.48Å; P357-Y364 HydrophobicContact CB-CE2 4.04Å; Y364-A366 HydrophobicContact CE1-CB 4.11Å; Y364-D370 VanDerWaalsContact OH-CG 3.27Å; Y364-D370 PolarHBondContact OH-OD1 3.1Å; Y364-D370 PolarHBondContact OH-OD2 3.38Å; Y364-F372 HydrophobicContact CE1-CE2 4.1Å; Y364-F372 HydrophobicContact CE1-CZ 4.15Å; Y364-F438 HydrophobicContact CD2-CE2 4.44Å; Y364-F438 HydrophobicContact CE2-CE2 4.29Å
365	V	58.3	Low	67	Low	78 Å²	78	61.6 Å²	61.6	47%	0.473	32%	0.322	S	S	.	.			trans	-102	113.2	177.7	-177.3	0	0	0	0	108.8	R360 T367	R360-V365 HydrophobicContact CB-CG2 4.47Å; V365-T367 PolarHBondContact O-N 3Å
366	A	62	Low	66.8	Low	25 Å²	25	58.5 Å²	58.5	21%	0.207	31%	0.309	C	S	.	.			trans	-68.6	131.3	-178.4	0	0	0	0	0	112.1	I308 Y364 D370 F372	I308-A366 HydrophobicContact CG1-CB 4.37Å; Y364-A366 HydrophobicContact CE1-CB 4.11Å; A366-D370 WeakPolarHBondContact CA-OD2 3.39Å; A366-F372 HydrophobicContact CB-CE2 4.48Å
367	T	64	Low	67	Low	41 Å²	41	58.7 Å²	58.7	25%	0.252	30%	0.303	S	S	.	.			trans	-96	155.2	-179.9	73.3	0	0	0	0	111.8	V365 T369 D370 R387	V365-T367 PolarHBondContact O-N 3Å; T367-T369 PolarHBondContact O-N 3.06Å; T367-T369 PolarHBondContact OG1-OG1 3.36Å; T367-D370 PolarHBondContact N-OD2 3.04Å; T367-D370 VanDerWaalsContact O-CB 3.26Å; T367-D370 WeakPolarHBondContact O-CB 3.22Å; T367-D370 PolarHBondContact O-N 3.11Å; T367-D370 VanDerWaalsContact OG1-CG 3.29Å; T367-D370 PolarHBondContact OG1-OD1 3.05Å; T367-R387 VanDerWaalsContact O-CZ 3.29Å; T367-R387 PolarHBondContact O-NH1 3.47Å
368	P	63.1	Low	67.3	Low	101 Å²	101	60.2 Å²	60.2	66%	0.656	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.8	-26.6	173.1	-30.1	37.5	0	0	0	115.9	D370 R387	P368-D370 VanDerWaalsContact C-N 3.35Å; P368-R387 VanDerWaalsContact CA-NH2 3.31Å
369	T	68.9	Low	67.8	Low	28 Å²	28	58.2 Å²	58.2	17%	0.172	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-3.5	178.4	42.1	0	0	0	0	114.5	K355 T367 F431	K355-T369 VanDerWaalsContact CB-OG1 3.23Å; K355-T369 WeakPolarHBondContact CB-OG1 3.31Å; K355-T369 HydrophobicContact CD-CG2 4.45Å; K355-T369 WeakPolarHBondContact CD-OG1 3.43Å; T367-T369 PolarHBondContact O-N 3.06Å; T367-T369 PolarHBondContact OG1-OG1 3.36Å; T369-F431 HydrophobicContact CG2-CB 4.47Å
370	D	79.9	Confident	68.2	Low	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.326	C	S	.	.			trans	-82.7	122.3	179.5	-64.7	-7.4	0	0	0	110.8	V353 C354 K355 Y364 A366 T367 P368 F372 R387	V353-D370 WeakPolarHBondContact O-CA 3.31Å; C354-D370 VanDerWaalsContact CA-OD1 3.24Å; C354-D370 WeakPolarHBondContact CA-OD1 3.36Å; C354-D370 WeakPolarHBondContact CB-OD1 3.42Å; K355-D370 PolarHBondContact N-OD1 3.09Å; K355-D370 VanDerWaalsContact N-OD1 3.09Å; Y364-D370 VanDerWaalsContact OH-CG 3.27Å; Y364-D370 PolarHBondContact OH-OD1 3.1Å; Y364-D370 PolarHBondContact OH-OD2 3.38Å; A366-D370 WeakPolarHBondContact CA-OD2 3.39Å; T367-D370 PolarHBondContact N-OD2 3.04Å; T367-D370 VanDerWaalsContact O-CB 3.26Å; T367-D370 WeakPolarHBondContact O-CB 3.22Å; T367-D370 PolarHBondContact O-N 3.11Å; T367-D370 VanDerWaalsContact OG1-CG 3.29Å; T367-D370 PolarHBondContact OG1-OD1 3.05Å; P368-D370 VanDerWaalsContact C-N 3.35Å; D370-F372 HydrophobicContact CB-CD2 4.18Å; D370-F372 HydrophobicContact CB-CE1 4.19Å; D370-F372 HydrophobicContact CB-CE2 3.59Å; D370-F372 HydrophobicContact CB-CZ 3.6Å; D370-R387 WeakPolarHBondContact O-CD 3.38Å
371	L	87.1	Confident	69.1	Low	2 Å²	2	54 Å²	54	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	98.1	-176.5	-51.3	-176.2	0	0	0	108.9	G352 V353 V412 Y426 T430 F431	G352-L371 VanDerWaalsContact CA-O 3.3Å; G352-L371 WeakPolarHBondContact CA-O 3.41Å; V353-L371 HydrophobicContact CG2-CB 4.04Å; V353-L371 HydrophobicContact CG2-CG 4.37Å; V353-L371 PolarHBondContact N-O 3.14Å; V353-L371 PolarHBondContact O-N 2.96Å; L371-V412 HydrophobicContact CB-CB 4.39Å; L371-V412 HydrophobicContact CB-CG2 4.38Å; L371-V412 HydrophobicContact CD1-CB 4.23Å; L371-V412 HydrophobicContact CD1-CG2 3.97Å; L371-Y426 HydrophobicContact CB-CD2 3.96Å; L371-Y426 HydrophobicContact CB-CE1 4.45Å; L371-Y426 HydrophobicContact CB-CE2 3.88Å; L371-Y426 HydrophobicContact CB-CG 4.3Å; L371-Y426 HydrophobicContact CD1-CG 4.26Å; L371-Y426 HydrophobicContact CD2-CD1 3.7Å; L371-Y426 HydrophobicContact CD2-CE1 3.82Å; L371-Y426 HydrophobicContact CD2-CG 4.1Å; L371-Y426 HydrophobicContact CG-CG 4.46Å; L371-T430 HydrophobicContact CD1-CG2 4.33Å; L371-T430 HydrophobicContact CD2-CG2 3.41Å; L371-T430 VanDerWaalsContact CD2-CG2 3.41Å; L371-T430 HydrophobicContact CG-CG2 4.49Å; L371-F431 HydrophobicContact CD1-CD1 3.63Å; L371-F431 HydrophobicContact CD1-CE1 4.09Å
372	F	86.9	Confident	70.4	Confident	12 Å²	12	53.8 Å²	53.8	5%	0.053	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	150.9	-175	-57.9	-36.8	0	0	0	112.4	T350 V351 V353 C354 Y364 A366 D370 Y426 F438	T350-F372 HydrophobicContact CG2-CB 3.69Å; T350-F372 HydrophobicContact CG2-CD2 4.23Å; T350-F372 HydrophobicContact CG2-CG 3.92Å; V351-F372 WeakPolarHBondContact O-CA 3.43Å; V353-F372 WeakPolarHBondContact O-CE1 3.49Å; C354-F372 HydrophobicContact CB-CE1 4.02Å; C354-F372 HydrophobicContact CB-CZ 3.85Å; Y364-F372 HydrophobicContact CE1-CE2 4.1Å; Y364-F372 HydrophobicContact CE1-CZ 4.15Å; A366-F372 HydrophobicContact CB-CE2 4.48Å; D370-F372 HydrophobicContact CB-CD2 4.18Å; D370-F372 HydrophobicContact CB-CE1 4.19Å; D370-F372 HydrophobicContact CB-CE2 3.59Å; D370-F372 HydrophobicContact CB-CZ 3.6Å; F372-Y426 PolarHBondContact N-OH 2.9Å; F372-Y426 PolarHBondContact O-OH 3.43Å; F372-F438 HydrophobicContact CD1-CB 4.4Å; F372-F438 AromaticContact CD1-CD1 3.95Å; F372-F438 HydrophobicContact CD1-CD1 3.95Å; F372-F438 HydrophobicContact CD1-CG 4.38Å; F372-F438 HydrophobicContact CE1-CB 3.62Å; F372-F438 AromaticContact CE1-CD1 3.52Å; F372-F438 HydrophobicContact CE1-CD1 3.52Å; F372-F438 HydrophobicContact CE1-CD2 4.34Å; F372-F438 HydrophobicContact CE1-CE1 4.26Å; F372-F438 AromaticContact CE1-CG 3.56Å; F372-F438 HydrophobicContact CE1-CG 3.56Å; F372-F438 HydrophobicContact CZ-CB 4.34Å; F372-F438 AromaticContact CZ-CD1 3.85Å; F372-F438 HydrophobicContact CZ-CD1 3.85Å; F372-F438 HydrophobicContact CZ-CD2 4.24Å; F372-F438 HydrophobicContact CZ-CE1 4.18Å; F372-F438 AromaticContact CZ-CG 3.88Å; F372-F438 HydrophobicContact CZ-CG 3.88Å
373	L	87.4	Confident	71.4	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.5	160.1	178.2	68.7	0	0	0	107.2	W349 T350 V351 L384 T386 V401 F414 I423	W349-L373 HydrophobicContact CH2-CD2 4.01Å; W349-L373 HydrophobicContact CH2-CG 4.3Å; W349-L373 HydrophobicContact CZ3-CD2 4.1Å; W349-L373 HydrophobicContact CZ3-CG 4.06Å; T350-L373 WeakPolarHBondContact CA-O 3.34Å; V351-L373 HydrophobicContact CG1-CB 4.35Å; V351-L373 PolarHBondContact N-O 2.89Å; V351-L373 PolarHBondContact O-N 3.39Å; L373-L384 HydrophobicContact CD1-CB 4.17Å; L373-L384 HydrophobicContact CD1-CD2 4.26Å; L373-L384 HydrophobicContact CG-CD2 4.36Å; L373-T386 HydrophobicContact CD1-CG2 4.44Å; L373-V401 HydrophobicContact CD2-CG1 4.27Å; L373-F414 HydrophobicContact CB-CD1 3.64Å; L373-F414 HydrophobicContact CB-CD2 4.07Å; L373-F414 HydrophobicContact CB-CE1 3.63Å; L373-F414 HydrophobicContact CB-CE2 4.07Å; L373-F414 HydrophobicContact CB-CG 3.86Å; L373-F414 HydrophobicContact CB-CZ 3.85Å; L373-F414 HydrophobicContact CD2-CB 3.76Å; L373-F414 HydrophobicContact CD2-CD1 3.88Å; L373-F414 HydrophobicContact CD2-CG 3.82Å; L373-F414 HydrophobicContact CG-CD1 4.42Å; L373-F414 HydrophobicContact CG-CG 4.42Å; L373-I423 HydrophobicContact CD1-CG2 4.24Å; L373-I423 HydrophobicContact CD2-CD1 4.29Å; L373-I423 HydrophobicContact CD2-CG2 3.84Å
374	E	84.7	Confident	72.7	Confident	28 Å²	28	42.3 Å²	42.3	13%	0.131	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	141.5	179.1	-170.3	172.9	-168.3	0	0	110.4	W349 T350 L376 L384 I385	W349-E374 CarbonylContact O-C 3.59Å; W349-E374 WeakPolarHBondContact O-CA 3.21Å; T350-E374 HydrophobicContact CG2-CB 4.29Å; E374-L376 HydrophobicContact CG-CD2 4.32Å; E374-L376 HydrophobicContact CG-CG 4.11Å; E374-L384 CarbonylContact O-C 3.6Å; E374-L384 WeakPolarHBondContact O-CA 3.29Å; E374-I385 PolarHBondContact N-O 3.38Å; E374-I385 PolarHBondContact O-N 3.48Å
375	C	84	Confident	73.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126	171.7	-171.5	0	0	0	0	109.6	R348 W349 I383 L384	R348-C375 WeakPolarHBondContact CA-O 3.32Å; W349-C375 HydrophobicContact CD2-CB 3.46Å; W349-C375 VanDerWaalsContact CD2-CB 3.46Å; W349-C375 HydrophobicContact CE3-CB 3.87Å; W349-C375 HydrophobicContact CG-CB 4.06Å; W349-C375 HydrophobicContact CH2-CB 3.76Å; W349-C375 HydrophobicContact CZ2-CB 3.35Å; W349-C375 HydrophobicContact CZ3-CB 4Å; W349-C375 PolarHBondContact N-O 3.43Å; W349-C375 VanDerWaalsContact N-O 3.1Å; W349-C375 PolarHBondContact O-N 3.48Å; C375-I383 WeakPolarHBondContact CA-O 3.44Å; C375-L384 HydrophobicContact CB-CD2 3.69Å
376	L	77.4	Confident	73.9	Confident	29 Å²	29	39.4 Å²	39.4	15%	0.152	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136.6	-179	-62.1	161.8	0	0	0	108.8	R348 E374 Y382 I383 I385	R348-L376 HydrophobicContact CG-CD2 3.91Å; E374-L376 HydrophobicContact CG-CD2 4.32Å; E374-L376 HydrophobicContact CG-CG 4.11Å; L376-Y382 WeakPolarHBondContact O-CA 3.5Å; L376-I383 HydrophobicContact CB-CD1 4.36Å; L376-I383 HydrophobicContact CB-CG1 3.87Å; L376-I383 HydrophobicContact CD1-CD1 4.4Å; L376-I383 PolarHBondContact N-O 2.89Å; L376-I383 PolarHBondContact O-N 3.41Å; L376-I385 HydrophobicContact CD1-CD1 3.47Å; L376-I385 VanDerWaalsContact CD1-CD1 3.47Å; L376-I385 HydrophobicContact CD1-CG1 4.17Å
377	R	73.5	Confident	73.9	Confident	99 Å²	99	42.2 Å²	42.2	37%	0.374	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	123.8	162.4	-174.7	176.1	172.7	167.8	-0.1	108.4	D379 D380 H381 Y382	R377-D379 PolarHBondContact NE-O 2.95Å; R377-D380 IonicContact NH2-OD1 2.75Å; R377-D380 PolarHBondContact NH2-OD1 3.27Å; R377-H381 CarbonylContact C-O 3.57Å; R377-H381 WeakPolarHBondContact CA-O 3.38Å; R377-Y382 HydrophobicContact CB-CD1 4.14Å; R377-Y382 HydrophobicContact CB-CE1 3.88Å; R377-Y382 HydrophobicContact CG-CE1 4.44Å
378	K	67.5	Low	73.4	Confident	64 Å²	64	46 Å²	46	28%	0.278	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	117.4	170.1	-170.4	167.8	-176.2	168	0	106.6	D380 H381 I383	K378-D380 PolarHBondContact O-N 3.37Å; K378-H381 PolarHBondContact N-O 3.29Å; K378-H381 PolarHBondContact O-CE1 2.94Å; K378-H381 PolarHBondContact O-N 3.46Å; K378-H381 PolarHBondContact O-ND1 2.99Å; K378-H381 VanDerWaalsContact O-O 3.11Å; K378-I383 HydrophobicContact CB-CD1 4.48Å; K378-I383 HydrophobicContact CD-CD1 4.45Å
379	D	67.3	Low	72.9	Confident	120 Å²	120	42.8 Å²	42.8	64%	0.642	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	-111.8	-173.2	-43.2	-48.3	0	0	0	110.7	R377	R377-D379 PolarHBondContact NE-O 2.95Å
380	D	64.1	Low	72.5	Confident	139 Å²	139	42.6 Å²	42.6	74%	0.743	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111	18.2	179.7	-69.7	-37.7	0	0	0	115.3	R377 K378	R377-D380 IonicContact NH2-OD1 2.75Å; R377-D380 PolarHBondContact NH2-OD1 3.27Å; K378-D380 PolarHBondContact O-N 3.37Å
381	H	67.4	Low	71.9	Confident	18 Å²	18	44.3 Å²	44.3	8%	0.083	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	164.7	175.4	64.3	-70.2	0	0	0	112.3	I268 R377 K378	I268-H381 HydrophobicContact CD1-CB 3.69Å; I268-H381 WeakPolarHBondContact CD1-ND1 3.3Å; R377-H381 CarbonylContact C-O 3.57Å; R377-H381 WeakPolarHBondContact CA-O 3.38Å; K378-H381 PolarHBondContact N-O 3.29Å; K378-H381 PolarHBondContact O-CE1 2.94Å; K378-H381 PolarHBondContact O-N 3.46Å; K378-H381 PolarHBondContact O-ND1 2.99Å; K378-H381 VanDerWaalsContact O-O 3.11Å
382	Y	72.7	Confident	70.9	Confident	75 Å²	75	44.6 Å²	44.6	29%	0.294	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	135.2	175.4	-70	-87.7	0	0	0	109.7	R347 L376 R377 K396	R347-Y382 WeakPolarHBondContact O-CE1 3.28Å; L376-Y382 WeakPolarHBondContact O-CA 3.5Å; R377-Y382 HydrophobicContact CB-CD1 4.14Å; R377-Y382 HydrophobicContact CB-CE1 3.88Å; R377-Y382 HydrophobicContact CG-CE1 4.44Å; Y382-K396 HydrophobicContact CD1-CD 3.77Å; Y382-K396 HydrophobicContact CD2-CB 4.41Å; Y382-K396 HydrophobicContact CD2-CD 3.59Å; Y382-K396 HydrophobicContact CE1-CD 3.96Å; Y382-K396 HydrophobicContact CE2-CD 3.8Å; Y382-K396 HydrophobicContact CG-CB 4.29Å; Y382-K396 HydrophobicContact CG-CD 3.57Å; Y382-K396 HydrophobicContact CG-CG 4.32Å; Y382-K396 PolarHBondContact OH-NZ 3.22Å
383	I	72.8	Confident	69.9	Low	9 Å²	9	45.3 Å²	45.3	5%	0.046	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	142.3	171.4	61.1	-179.3	0	0	0	108.9	C375 L376 K378 I385	C375-I383 WeakPolarHBondContact CA-O 3.44Å; L376-I383 HydrophobicContact CB-CD1 4.36Å; L376-I383 HydrophobicContact CB-CG1 3.87Å; L376-I383 HydrophobicContact CD1-CD1 4.4Å; L376-I383 PolarHBondContact N-O 2.89Å; L376-I383 PolarHBondContact O-N 3.41Å; K378-I383 HydrophobicContact CB-CD1 4.48Å; K378-I383 HydrophobicContact CD-CD1 4.45Å; I383-I385 HydrophobicContact CD1-CD1 3.78Å; I383-I385 HydrophobicContact CD1-CG1 4.22Å; I383-I385 HydrophobicContact CG1-CD1 4.28Å; I383-I385 HydrophobicContact CG1-CG1 4.23Å
384	L	77.8	Confident	68.9	Low	1 Å²	1	46 Å²	46	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.8	170.2	-69.5	172.6	0	0	0	108.5	W349 L373 E374 C375 H392 I394 I423	W349-L384 HydrophobicContact CH2-CD2 3.8Å; W349-L384 HydrophobicContact CZ2-CD2 4.16Å; L373-L384 HydrophobicContact CD1-CB 4.17Å; L373-L384 HydrophobicContact CD1-CD2 4.26Å; L373-L384 HydrophobicContact CG-CD2 4.36Å; E374-L384 CarbonylContact O-C 3.6Å; E374-L384 WeakPolarHBondContact O-CA 3.29Å; C375-L384 HydrophobicContact CB-CD2 3.69Å; L384-H392 HydrophobicContact CB-CB 3.94Å; L384-H392 PolarHBondContact N-O 2.8Å; L384-H392 WeakPolarHBondContact O-CA 3.38Å; L384-H392 WeakPolarHBondContact O-CB 3.47Å; L384-H392 PolarHBondContact O-N 3.42Å; L384-I394 HydrophobicContact CD1-CB 4.2Å; L384-I423 HydrophobicContact CD1-CG2 3.73Å
385	I	73.3	Confident	68.3	Low	27 Å²	27	47.9 Å²	47.9	14%	0.138	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	148.1	-178.7	-54.4	-170.4	0	0	0	109.5	E374 L376 I383 E391	E374-I385 PolarHBondContact N-O 3.38Å; E374-I385 PolarHBondContact O-N 3.48Å; L376-I385 HydrophobicContact CD1-CD1 3.47Å; L376-I385 VanDerWaalsContact CD1-CD1 3.47Å; L376-I385 HydrophobicContact CD1-CG1 4.17Å; I383-I385 HydrophobicContact CD1-CD1 3.78Å; I383-I385 HydrophobicContact CD1-CG1 4.22Å; I383-I385 HydrophobicContact CG1-CD1 4.28Å; I383-I385 HydrophobicContact CG1-CG1 4.23Å; I385-E391 HydrophobicContact CD1-CG 4.43Å; I385-E391 HydrophobicContact CG1-CG 4.47Å
386	T	70.4	Confident	67.9	Low	10 Å²	10	50 Å²	50	6%	0.061	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	163.7	171.8	65.9	0	0	0	0	110.6	L373 I388 G389 H392 L424	L373-T386 HydrophobicContact CD1-CG2 4.44Å; T386-I388 PolarHBondContact O-N 2.92Å; T386-G389 PolarHBondContact O-N 2.87Å; T386-H392 WeakPolarHBondContact CG2-NE2 3.28Å; T386-H392 PolarHBondContact OG1-NE2 2.8Å; T386-L424 HydrophobicContact CG2-CD1 3.97Å; T386-L424 HydrophobicContact CG2-CD2 3.16Å; T386-L424 HydrophobicContact CG2-CG 4.14Å
387	R	61.1	Low	67.9	Low	83 Å²	83	48.7 Å²	48.7	31%	0.313	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-27	177.8	-176.8	-176	160.3	87.2	18.7	113.4	T367 P368 D370 G389 Y426	T367-R387 VanDerWaalsContact O-CZ 3.29Å; T367-R387 PolarHBondContact O-NH1 3.47Å; P368-R387 VanDerWaalsContact CA-NH2 3.31Å; D370-R387 WeakPolarHBondContact O-CD 3.38Å; R387-G389 PolarHBondContact O-N 2.81Å; R387-G389 VanDerWaalsContact O-N 3.17Å; R387-Y426 PolarHBondContact N-OH 3.38Å
388	I	55	Low	67.9	Low	122 Å²	122	49.7 Å²	49.7	63%	0.626	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	2.1	-179.6	-52.5	174.2	0	0	0	111.5	T386 G390 Y426	T386-I388 PolarHBondContact O-N 2.92Å; I388-G390 PolarHBondContact O-N 2.88Å; I388-Y426 HydrophobicContact CD1-CD1 4.39Å; I388-Y426 HydrophobicContact CD1-CE1 4.29Å; I388-Y426 HydrophobicContact CG1-CE1 4.44Å
389	G	52.9	Low	68.5	Low	33 Å²	33	47.5 Å²	47.5	34%	0.34	26%	0.255	S	S	.	.			trans	75.7	10.4	173.7	0	0	0	0	0	114.8	T386 R387	T386-G389 PolarHBondContact O-N 2.87Å; R387-G389 PolarHBondContact O-N 2.81Å; R387-G389 VanDerWaalsContact O-N 3.17Å
390	G	60.5	Low	69.6	Low	23 Å²	23	45.2 Å²	45.2	24%	0.237	24%	0.24	C	C	.	.			trans	-83	121.4	171.2	0	0	0	0	0	110.5	I388 H392	I388-G390 PolarHBondContact O-N 2.88Å; G390-H392 PolarHBondContact O-CD2 2.86Å; G390-H392 PolarHBondContact O-N 3.11Å; G390-H392 PolarHBondContact O-NE2 2.81Å
391	E	65.9	Low	70.9	Confident	37 Å²	37	38.6 Å²	38.6	17%	0.173	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	127.3	160.9	-69.5	-175.5	-159.4	0	0	108.9	R163 I385 Y393	R163-E391 IonicContact CZ-OE1 3.9Å; R163-E391 IonicContact CZ-OE2 3.2Å; R163-E391 IonicContact NH1-OE1 2.8Å; R163-E391 PolarHBondContact NH1-OE1 2.78Å; R163-E391 IonicContact NH1-OE2 3Å; R163-E391 PolarHBondContact NH1-OE2 2.85Å; R163-E391 IonicContact NH2-OE1 3.8Å; R163-E391 PolarHBondContact NH2-OE1 3.15Å; R163-E391 IonicContact NH2-OE2 2.72Å; I385-E391 HydrophobicContact CD1-CG 4.43Å; I385-E391 HydrophobicContact CG1-CG 4.47Å; E391-Y393 HydrophobicContact CB-CE2 4.25Å; E391-Y393 PolarHBondContact OE2-OH 2.87Å
392	H	66.1	Low	72.2	Confident	8 Å²	8	37.8 Å²	37.8	4%	0.037	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	115.3	177.4	-66.7	-83.8	0	0	0	109.1	R174 L384 T386 G390 I394	R174-H392 PolarHBondContact NH2-ND1 3.01Å; L384-H392 HydrophobicContact CB-CB 3.94Å; L384-H392 PolarHBondContact N-O 2.8Å; L384-H392 WeakPolarHBondContact O-CA 3.38Å; L384-H392 WeakPolarHBondContact O-CB 3.47Å; L384-H392 PolarHBondContact O-N 3.42Å; T386-H392 WeakPolarHBondContact CG2-NE2 3.28Å; T386-H392 PolarHBondContact OG1-NE2 2.8Å; G390-H392 PolarHBondContact O-CD2 2.86Å; G390-H392 PolarHBondContact O-N 3.11Å; G390-H392 PolarHBondContact O-NE2 2.81Å; H392-I394 PolarHBondContact O-N 2.86Å; H392-I394 VanDerWaalsContact O-N 3.09Å
393	Y	65.6	Low	73.3	Confident	27 Å²	27	34.2 Å²	34.2	11%	0.106	19%	0.187	C	C	.	.			trans	-87.7	44	-178.1	-63.8	-73.7	0	0	0	112	R163 W167 P269 R270 L271 E391	R163-Y393 PolarHBondContact NH1-OH 2.91Å; W167-Y393 AromaticContact CE3-CD2 3.45Å; W167-Y393 HydrophobicContact CE3-CD2 3.45Å; W167-Y393 VanDerWaalsContact CE3-CD2 3.45Å; W167-Y393 AromaticContact CE3-CE2 3.79Å; W167-Y393 HydrophobicContact CE3-CE2 3.79Å; W167-Y393 HydrophobicContact CE3-CG 4.22Å; W167-Y393 AromaticContact CZ3-CD2 3.29Å; W167-Y393 HydrophobicContact CZ3-CD2 3.29Å; W167-Y393 HydrophobicContact CZ3-CE2 4.06Å; W167-Y393 AromaticContact CZ3-CG 3.63Å; W167-Y393 HydrophobicContact CZ3-CG 3.63Å; P269-Y393 HydrophobicContact CB-CD1 4.42Å; P269-Y393 HydrophobicContact CB-CG 4.4Å; P269-Y393 HydrophobicContact CG-CD1 3.47Å; P269-Y393 VanDerWaalsContact CG-CD1 3.47Å; P269-Y393 HydrophobicContact CG-CD2 4.02Å; P269-Y393 HydrophobicContact CG-CE1 3.52Å; P269-Y393 HydrophobicContact CG-CE2 4.05Å; P269-Y393 HydrophobicContact CG-CG 3.71Å; P269-Y393 VanDerWaalsContact O-CB 3.25Å; P269-Y393 WeakPolarHBondContact O-CB 3.33Å; P269-Y393 WeakPolarHBondContact O-CD1 3.3Å; R270-Y393 CarbonylContact C-O 3.58Å; R270-Y393 WeakPolarHBondContact CA-O 3.5Å; L271-Y393 PolarHBondContact N-O 3.49Å; E391-Y393 HydrophobicContact CB-CE2 4.25Å; E391-Y393 PolarHBondContact OE2-OH 2.87Å
394	I	67.5	Low	74.4	Confident	13 Å²	13	34.5 Å²	34.5	7%	0.067	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-91.9	143.7	173.3	-58.6	172.6	0	0	0	107.5	R174 A273 L384 H392 K396 I423	R174-I394 VanDerWaalsContact CZ-CG1 3.48Å; R174-I394 VanDerWaalsContact NH2-CG1 3.35Å; A273-I394 HydrophobicContact CB-CG2 4.18Å; L384-I394 HydrophobicContact CD1-CB 4.2Å; H392-I394 PolarHBondContact O-N 2.86Å; H392-I394 VanDerWaalsContact O-N 3.09Å; I394-K396 PolarHBondContact O-N 3.23Å; I394-I423 HydrophobicContact CD1-CG2 4.13Å; I394-I423 WeakPolarHBondContact CD1-O 3.32Å
395	E	71.8	Confident	75.2	Confident	69 Å²	69	34.5 Å²	34.5	32%	0.322	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-51.9	137.8	169.8	-68.3	179.5	175.5	0	0	111.3	P397 K419	E395-P397 WeakPolarHBondContact O-CD 3.44Å; E395-K419 IonicContact OE2-NZ 3.04Å; E395-K419 PolarHBondContact OE2-NZ 3.24Å
396	K	75.4	Confident	76.2	Confident	43 Å²	43	33.6 Å²	33.6	19%	0.187	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-54.7	130.2	175.8	179.5	-177.4	175.5	-179.1	0	109.7	Y346 Y382 I394 V398	Y346-K396 PolarHBondContact O-NZ 3.24Å; Y382-K396 HydrophobicContact CD1-CD 3.77Å; Y382-K396 HydrophobicContact CD2-CB 4.41Å; Y382-K396 HydrophobicContact CD2-CD 3.59Å; Y382-K396 HydrophobicContact CE1-CD 3.96Å; Y382-K396 HydrophobicContact CE2-CD 3.8Å; Y382-K396 HydrophobicContact CG-CB 4.29Å; Y382-K396 HydrophobicContact CG-CD 3.57Å; Y382-K396 HydrophobicContact CG-CG 4.32Å; Y382-K396 PolarHBondContact OH-NZ 3.22Å; I394-K396 PolarHBondContact O-N 3.23Å; K396-V398 PolarHBondContact O-N 3.37Å
397	P	76.8	Confident	77.3	Confident	3 Å²	3	33.8 Å²	33.8	2%	0.019	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-60.2	125	168.8	-22.2	33.3	0	0	0	110.2	E395 G399 V401 D416 I423	E395-P397 WeakPolarHBondContact O-CD 3.44Å; P397-G399 VanDerWaalsContact C-N 3.28Å; P397-G399 PolarHBondContact O-N 2.92Å; P397-V401 HydrophobicContact CB-CG2 3.89Å; P397-V401 HydrophobicContact CG-CG2 3.9Å; P397-D416 WeakPolarHBondContact CA-OD2 3.49Å; P397-D416 HydrophobicContact CB-CB 4.37Å; P397-I423 HydrophobicContact CB-CD1 4.45Å; P397-I423 HydrophobicContact CG-CD1 3.49Å; P397-I423 VanDerWaalsContact CG-CD1 3.49Å; P397-I423 HydrophobicContact CG-CG1 4.28Å
398	V	73.1	Confident	78.7	Confident	120 Å²	120	35.4 Å²	35.4	73%	0.727	20%	0.196	S	C	*	.	S	Bend	trans	-83.5	-5.4	-173.2	-174.4	0	0	0	0	112.2	K396	K396-V398 PolarHBondContact O-N 3.37Å
399	G	81.2	Confident	80.3	Confident	18 Å²	18	30.8 Å²	30.8	19%	0.186	18%	0.178	C	C	.	.	S	Bend	trans	-142.3	-114.4	-178.9	0	0	0	0	0	112.9	L343 P397	L343-G399 PolarHBondContact N-O 3.45Å; P397-G399 VanDerWaalsContact C-N 3.28Å; P397-G399 PolarHBondContact O-N 2.92Å
400	Q	90.2	Very high	82.1	Confident	72 Å²	72	29.3 Å²	29.3	34%	0.336	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	139.3	-176.6	-68.5	174.1	-27.3	0	0	111.9	E340 V341 D342 V417	E340-Q400 HydrophobicContact CB-CB 4.45Å; V341-Q400 VanDerWaalsContact O-CA 3.3Å; V341-Q400 WeakPolarHBondContact O-CA 3.32Å; D342-Q400 HydrophobicContact CB-CG 4.11Å; Q400-V417 HydrophobicContact CB-CB 4.07Å; Q400-V417 HydrophobicContact CB-CG2 3.89Å; Q400-V417 WeakPolarHBondContact O-CG2 3.41Å; Q400-V417 PolarHBondContact O-N 2.79Å
401	V	92.1	Very high	83.5	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	121.6	165.7	176.6	0	0	0	0	108.3	V341 L343 W349 V351 L373 P397 F414 V415 I423	V341-V401 PolarHBondContact N-O 3.29Å; V341-V401 PolarHBondContact O-N 3.18Å; L343-V401 HydrophobicContact CD1-CB 3.87Å; L343-V401 HydrophobicContact CD1-CG2 3.82Å; W349-V401 HydrophobicContact CH2-CG2 3.88Å; W349-V401 HydrophobicContact CZ2-CG2 4.12Å; V351-V401 HydrophobicContact CG1-CG1 4.11Å; L373-V401 HydrophobicContact CD2-CG1 4.27Å; P397-V401 HydrophobicContact CB-CG2 3.89Å; P397-V401 HydrophobicContact CG-CG2 3.9Å; V401-F414 HydrophobicContact CG1-CB 4.48Å; V401-F414 HydrophobicContact CG1-CD1 4.32Å; V401-V415 WeakPolarHBondContact CA-O 3.27Å; V401-I423 HydrophobicContact CG1-CD1 4.09Å; V401-I423 HydrophobicContact CG2-CD1 4.2Å
402	G	94.6	Very high	84.8	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	137.7	173	0	0	0	0	0	110.7	W339 F414 V415	W339-G402 CarbonylContact O-C 3.57Å; W339-G402 WeakPolarHBondContact O-CA 3.49Å; G402-F414 CarbonylContact O-C 3.57Å; G402-F414 VanDerWaalsContact O-CA 3.3Å; G402-F414 WeakPolarHBondContact O-CA 3.48Å; G402-V415 PolarHBondContact N-O 3.03Å; G402-V415 PolarHBondContact O-N 2.96Å
403	V	95.4	Very high	86	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	117.9	175.8	-171.7	0	0	0	0	108.4	Y338 W339 V351 V412 F414	Y338-V403 WeakPolarHBondContact CA-O 3.24Å; Y338-V403 WeakPolarHBondContact CD2-O 3.23Å; W339-V403 HydrophobicContact CD2-CB 4Å; W339-V403 HydrophobicContact CE3-CB 4.44Å; W339-V403 HydrophobicContact CH2-CB 4.06Å; W339-V403 HydrophobicContact CH2-CG1 3.52Å; W339-V403 HydrophobicContact CZ2-CB 3.59Å; W339-V403 HydrophobicContact CZ2-CG1 3.34Å; W339-V403 HydrophobicContact CZ2-CG2 4.16Å; W339-V403 HydrophobicContact CZ3-CB 4.45Å; W339-V403 HydrophobicContact CZ3-CG1 4.21Å; W339-V403 PolarHBondContact N-O 3.37Å; W339-V403 PolarHBondContact O-N 2.75Å; V351-V403 HydrophobicContact CG1-CG2 4.43Å; V351-V403 HydrophobicContact CG2-CG2 3.73Å; V403-V412 HydrophobicContact CG1-CG1 3.7Å; V403-F414 HydrophobicContact CG1-CE1 4.17Å; V403-F414 HydrophobicContact CG2-CD1 4.11Å; V403-F414 HydrophobicContact CG2-CE1 4.13Å
404	F	95.3	Very high	87.2	Confident	16 Å²	16	25.6 Å²	25.6	7%	0.07	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	123.8	174.4	178.4	-110.4	0	0	0	110.1	L283 F286 K336 Y337 Y338 D406 Y411 V412 S413	L283-F404 HydrophobicContact CD2-CB 3.8Å; L283-F404 HydrophobicContact CD2-CD1 4.14Å; L283-F404 HydrophobicContact CD2-CD2 3.47Å; L283-F404 VanDerWaalsContact CD2-CD2 3.47Å; L283-F404 HydrophobicContact CD2-CE2 4.03Å; L283-F404 HydrophobicContact CD2-CG 3.52Å; F286-F404 HydrophobicContact CB-CE2 4.32Å; F286-F404 HydrophobicContact CD2-CD2 4.49Å; F286-F404 AromaticContact CD2-CE2 3.68Å; F286-F404 HydrophobicContact CD2-CE2 3.68Å; F286-F404 HydrophobicContact CD2-CZ 4.46Å; F286-F404 HydrophobicContact CE2-CE2 4.21Å; F286-F404 HydrophobicContact CG-CE2 4.03Å; K336-F404 HydrophobicContact CB-CE2 4.1Å; K336-F404 HydrophobicContact CB-CZ 4.18Å; K336-F404 HydrophobicContact CD-CZ 4.19Å; K336-F404 HydrophobicContact CG-CZ 4.31Å; Y337-F404 CarbonylContact O-C 3.57Å; Y337-F404 WeakPolarHBondContact O-CA 3.28Å; Y337-F404 WeakPolarHBondContact O-CD2 3.21Å; Y338-F404 HydrophobicContact CD2-CB 4.14Å; F404-D406 HydrophobicContact CE1-CB 4.06Å; F404-D406 HydrophobicContact CZ-CB 4.39Å; F404-Y411 HydrophobicContact CD1-CE2 4.33Å; F404-Y411 HydrophobicContact CE1-CE2 4.18Å; F404-V412 CarbonylContact O-C 3.42Å; F404-V412 VanDerWaalsContact O-CA 3.28Å; F404-V412 WeakPolarHBondContact O-CA 3.5Å; F404-S413 PolarHBondContact N-O 3.09Å; F404-S413 PolarHBondContact O-N 3.04Å
405	L	95.2	Very high	88.3	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.9	179.8	172.8	65.1	0	0	0	109.3	F332 K336 Y337 W339 V353 V412 F431 V435	F332-L405 HydrophobicContact CB-CD2 3.82Å; F332-L405 HydrophobicContact CD2-CD2 4.11Å; F332-L405 HydrophobicContact CG-CD2 4.16Å; K336-L405 CarbonylContact C-O 3.55Å; K336-L405 VanDerWaalsContact CA-O 3.29Å; K336-L405 WeakPolarHBondContact CA-O 3.29Å; Y337-L405 HydrophobicContact CD2-CD2 4.16Å; Y337-L405 PolarHBondContact N-O 3.25Å; Y337-L405 PolarHBondContact O-N 3.42Å; W339-L405 HydrophobicContact CH2-CB 4.22Å; W339-L405 HydrophobicContact CZ3-CB 3.88Å; W339-L405 HydrophobicContact CZ3-CD2 4.41Å; V353-L405 HydrophobicContact CG1-CD1 4.35Å; V353-L405 HydrophobicContact CG1-CD2 4.46Å; L405-V412 HydrophobicContact CD1-CG2 3.66Å; L405-F431 HydrophobicContact CD1-CE1 3.91Å; L405-F431 HydrophobicContact CD1-CE2 4.49Å; L405-F431 HydrophobicContact CD1-CZ 3.5Å; L405-F431 VanDerWaalsContact CD1-CZ 3.5Å; L405-V435 HydrophobicContact CD1-CG2 3.87Å; L405-V435 HydrophobicContact CD2-CG2 3.9Å
406	D	94.1	Very high	89.2	Confident	8 Å²	8	22 Å²	22	4%	0.043	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	102.2	172.4	-171.4	-22.7	0	0	0	108.2	K336 F404 E408 G409 G410 Y411	K336-D406 VanDerWaalsContact CE-OD2 3.31Å; K336-D406 WeakPolarHBondContact CE-OD2 3.28Å; K336-D406 HydrophobicContact CG-CB 4.39Å; K336-D406 IonicContact NZ-OD2 2.81Å; F404-D406 HydrophobicContact CE1-CB 4.06Å; F404-D406 HydrophobicContact CZ-CB 4.39Å; D406-E408 PolarHBondContact OD1-N 3.4Å; D406-G409 PolarHBondContact OD1-N 2.99Å; D406-G410 PolarHBondContact O-N 3.32Å; D406-Y411 HydrophobicContact CB-CD1 4.12Å; D406-Y411 HydrophobicContact CB-CE1 3.5Å; D406-Y411 HydrophobicContact CB-CE2 4.01Å; D406-Y411 WeakPolarHBondContact CB-OH 3.45Å; D406-Y411 PolarHBondContact N-O 3.1Å; D406-Y411 VanDerWaalsContact N-O 3.11Å; D406-Y411 PolarHBondContact O-N 3.48Å; D406-Y411 VanDerWaalsContact OD2-CE1 3.3Å; D406-Y411 WeakPolarHBondContact OD2-CE1 3.44Å; D406-Y411 VanDerWaalsContact OD2-CZ 3.24Å; D406-Y411 PolarHBondContact OD2-OH 3.2Å
407	C	92.9	Very high	90	Very high	14 Å²	14	21.1 Å²	21.1	10%	0.095	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-38.1	-175.2	-60	0	0	0	0	111.5	G335 G410	G335-C407 VanDerWaalsContact O-CB 3.26Å; G335-C407 WeakPolarHBondContact O-CB 3.46Å; G335-C407 PolarHBondContact O-N 3.43Å; G335-C407 PolarHBondContact O-SG 3.04Å; C407-G410 PolarHBondContact O-N 3.18Å
408	E	92	Very high	90.6	Very high	118 Å²	118	25 Å²	25	55%	0.551	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-42.2	175.4	-69.7	77	-167.7	0	0	111.4	G335 D406 G410	G335-E408 VanDerWaalsContact C-OE2 3.26Å; G335-E408 WeakPolarHBondContact CA-OE1 3.18Å; G335-E408 VanDerWaalsContact CA-OE2 3.32Å; G335-E408 WeakPolarHBondContact CA-OE2 3.18Å; G335-E408 VanDerWaalsContact N-CD 3.27Å; G335-E408 PolarHBondContact N-OE1 3.29Å; G335-E408 PolarHBondContact N-OE2 2.84Å; D406-E408 PolarHBondContact OD1-N 3.4Å; E408-G410 VanDerWaalsContact C-N 3.33Å
409	G	88	Confident	91.3	Very high	24 Å²	24	22.2 Å²	22.2	25%	0.247	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-16.3	177.5	0	0	0	0	0	114.3	D406 Y411 P428 G429	D406-G409 PolarHBondContact OD1-N 2.99Å; G409-Y411 WeakPolarHBondContact O-CD1 3.24Å; G409-P428 CarbonylContact O-C 3.46Å; G409-P428 WeakPolarHBondContact O-CA 3.37Å; G409-G429 PolarHBondContact O-N 3.19Å
410	G	90.6	Very high	91.8	Very high	2 Å²	2	22.4 Å²	22.4	2%	0.021	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	38	-179.2	0	0	0	0	0	114	D406 C407 E408 G429 T430 F431	D406-G410 PolarHBondContact O-N 3.32Å; C407-G410 PolarHBondContact O-N 3.18Å; E408-G410 VanDerWaalsContact C-N 3.33Å; G410-G429 PolarHBondContact O-N 3.44Å; G410-T430 PolarHBondContact O-N 3.38Å; G410-F431 VanDerWaalsContact C-CD1 3.43Å; G410-F431 WeakPolarHBondContact CA-O 3.43Å; G410-F431 WeakPolarHBondContact O-CD1 3.35Å; G410-F431 PolarHBondContact O-N 3.27Å
411	Y	89.8	Confident	91.7	Very high	8 Å²	8	19 Å²	19	3%	0.031	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	164.5	178.7	68.4	-86.4	0	0	0	113.6	K184 F404 D406 G409 S427 P428 F431	K184-Y411 PolarHBondContact NZ-OH 3.01Å; F404-Y411 HydrophobicContact CD1-CE2 4.33Å; F404-Y411 HydrophobicContact CE1-CE2 4.18Å; D406-Y411 HydrophobicContact CB-CD1 4.12Å; D406-Y411 HydrophobicContact CB-CE1 3.5Å; D406-Y411 HydrophobicContact CB-CE2 4.01Å; D406-Y411 WeakPolarHBondContact CB-OH 3.45Å; D406-Y411 PolarHBondContact N-O 3.1Å; D406-Y411 VanDerWaalsContact N-O 3.11Å; D406-Y411 PolarHBondContact O-N 3.48Å; D406-Y411 VanDerWaalsContact OD2-CE1 3.3Å; D406-Y411 WeakPolarHBondContact OD2-CE1 3.44Å; D406-Y411 VanDerWaalsContact OD2-CZ 3.24Å; D406-Y411 PolarHBondContact OD2-OH 3.2Å; G409-Y411 WeakPolarHBondContact O-CD1 3.24Å; Y411-S427 VanDerWaalsContact CB-O 3.29Å; Y411-S427 WeakPolarHBondContact CB-O 3.26Å; Y411-P428 HydrophobicContact CD1-CB 4.25Å; Y411-F431 VanDerWaalsContact N-CE1 3.29Å
412	V	92.3	Very high	91.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	140.2	174	175.4	0	0	0	0	110.3	V353 L371 V403 F404 L405 F414 Y426 F431	V353-V412 HydrophobicContact CG1-CG2 4.14Å; V353-V412 HydrophobicContact CG2-CG2 3.61Å; L371-V412 HydrophobicContact CB-CB 4.39Å; L371-V412 HydrophobicContact CB-CG2 4.38Å; L371-V412 HydrophobicContact CD1-CB 4.23Å; L371-V412 HydrophobicContact CD1-CG2 3.97Å; V403-V412 HydrophobicContact CG1-CG1 3.7Å; F404-V412 CarbonylContact O-C 3.42Å; F404-V412 VanDerWaalsContact O-CA 3.28Å; F404-V412 WeakPolarHBondContact O-CA 3.5Å; L405-V412 HydrophobicContact CD1-CG2 3.66Å; V412-F414 HydrophobicContact CB-CE2 4.44Å; V412-F414 HydrophobicContact CG1-CD2 4.33Å; V412-F414 HydrophobicContact CG1-CE1 4.23Å; V412-F414 HydrophobicContact CG1-CE2 3.66Å; V412-F414 HydrophobicContact CG1-CZ 3.62Å; V412-Y426 PolarHBondContact O-N 3.07Å; V412-F431 HydrophobicContact CG2-CE1 4.44Å
413	S	91.8	Very high	90.9	Very high	9 Å²	9	20.5 Å²	20.5	6%	0.063	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	144.5	172.3	-47.1	0	0	0	0	110.9	F404 L424 S425	F404-S413 PolarHBondContact N-O 3.09Å; F404-S413 PolarHBondContact O-N 3.04Å; S413-L424 CarbonylContact C-O 3.47Å; S413-L424 VanDerWaalsContact CA-O 3.31Å; S413-L424 WeakPolarHBondContact CA-O 3.32Å; S413-S425 WeakPolarHBondContact OG-CB 3.36Å; S413-S425 PolarHBondContact OG-OG 3.31Å
414	F	91.4	Very high	90.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134.8	178.4	-58.4	-91.3	0	0	0	109.4	V351 L373 V401 G402 V403 V412 I423 L424 Y426	V351-F414 HydrophobicContact CG1-CD1 4.1Å; V351-F414 HydrophobicContact CG1-CE1 3.97Å; V351-F414 VanDerWaalsContact O-CE1 3.32Å; V351-F414 WeakPolarHBondContact O-CE1 3.34Å; L373-F414 HydrophobicContact CB-CD1 3.64Å; L373-F414 HydrophobicContact CB-CD2 4.07Å; L373-F414 HydrophobicContact CB-CE1 3.63Å; L373-F414 HydrophobicContact CB-CE2 4.07Å; L373-F414 HydrophobicContact CB-CG 3.86Å; L373-F414 HydrophobicContact CB-CZ 3.85Å; L373-F414 HydrophobicContact CD2-CB 3.76Å; L373-F414 HydrophobicContact CD2-CD1 3.88Å; L373-F414 HydrophobicContact CD2-CG 3.82Å; L373-F414 HydrophobicContact CG-CD1 4.42Å; L373-F414 HydrophobicContact CG-CG 4.42Å; V401-F414 HydrophobicContact CG1-CB 4.48Å; V401-F414 HydrophobicContact CG1-CD1 4.32Å; G402-F414 CarbonylContact O-C 3.57Å; G402-F414 VanDerWaalsContact O-CA 3.3Å; G402-F414 WeakPolarHBondContact O-CA 3.48Å; V403-F414 HydrophobicContact CG1-CE1 4.17Å; V403-F414 HydrophobicContact CG2-CD1 4.11Å; V403-F414 HydrophobicContact CG2-CE1 4.13Å; V412-F414 HydrophobicContact CB-CE2 4.44Å; V412-F414 HydrophobicContact CG1-CD2 4.33Å; V412-F414 HydrophobicContact CG1-CE1 4.23Å; V412-F414 HydrophobicContact CG1-CE2 3.66Å; V412-F414 HydrophobicContact CG1-CZ 3.62Å; F414-I423 HydrophobicContact CB-CB 4.17Å; F414-I423 WeakPolarHBondContact O-CB 3.14Å; F414-I423 PolarHBondContact O-N 2.88Å; F414-L424 HydrophobicContact CD2-CB 4.18Å; F414-L424 HydrophobicContact CD2-CD2 3.9Å; F414-L424 HydrophobicContact CD2-CG 4.49Å; F414-L424 HydrophobicContact CE2-CD2 4.15Å; F414-L424 PolarHBondContact N-O 2.71Å; F414-L424 PolarHBondContact O-N 3.41Å; F414-Y426 AromaticContact CE2-CD2 3.92Å; F414-Y426 HydrophobicContact CE2-CD2 3.92Å; F414-Y426 AromaticContact CE2-CE2 3.7Å; F414-Y426 HydrophobicContact CE2-CE2 3.7Å; F414-Y426 HydrophobicContact CZ-CE2 4.44Å
415	V	91.1	Very high	89.9	Confident	2 Å²	2	20.7 Å²	20.7	1%	0.012	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.9	-177.6	-60.4	0	0	0	0	111.4	L279 L283 Y338 V401 G402 V417 S421 L422	L279-V415 HydrophobicContact CD2-CG1 3.91Å; L283-V415 HydrophobicContact CD1-CB 4.36Å; L283-V415 HydrophobicContact CD1-CG1 3.68Å; L283-V415 HydrophobicContact CD1-CG2 3.83Å; Y338-V415 HydrophobicContact CE2-CG2 3.98Å; V401-V415 WeakPolarHBondContact CA-O 3.27Å; G402-V415 PolarHBondContact N-O 3.03Å; G402-V415 PolarHBondContact O-N 2.96Å; V415-V417 HydrophobicContact CG2-CG2 4.47Å; V415-V417 PolarHBondContact O-N 3.2Å; V415-S421 CarbonylContact C-O 3.51Å; V415-S421 VanDerWaalsContact CA-O 3.3Å; V415-S421 WeakPolarHBondContact CA-O 3.4Å; V415-S421 WeakPolarHBondContact CB-O 3.32Å; V415-L422 HydrophobicContact CG1-CD1 4.24Å
416	D	90.6	Very high	89.5	Confident	4 Å²	4	21.1 Å²	21.1	2%	0.021	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	109.2	164.6	-178.8	-30.1	0	0	0	106.4	P397 A418 K419 S420 S421 I423	P397-D416 WeakPolarHBondContact CA-OD2 3.49Å; P397-D416 HydrophobicContact CB-CB 4.37Å; D416-A418 VanDerWaalsContact C-N 3.34Å; D416-A418 PolarHBondContact OD1-N 3.45Å; D416-K419 HydrophobicContact CB-CB 4.27Å; D416-K419 PolarHBondContact OD1-N 3.39Å; D416-K419 VanDerWaalsContact OD1-N 3.08Å; D416-K419 WeakPolarHBondContact OD2-CD 3.45Å; D416-S420 WeakPolarHBondContact O-CA 3.32Å; D416-S420 PolarHBondContact O-N 2.72Å; D416-S421 PolarHBondContact N-O 3.02Å; D416-S421 PolarHBondContact O-N 2.83Å; D416-S421 VanDerWaalsContact O-N 3.12Å; D416-I423 HydrophobicContact CB-CD1 4.13Å; D416-I423 HydrophobicContact CB-CG1 4.04Å
417	V	91.5	Very high	89	Confident	26 Å²	26	23.1 Å²	23.1	16%	0.158	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-40.3	-174.1	-179.9	0	0	0	0	110.8	T280 E340 Q400 V415 S420	T280-V417 HydrophobicContact CG2-CG1 4.32Å; E340-V417 HydrophobicContact CG-CG2 3.89Å; Q400-V417 HydrophobicContact CB-CB 4.07Å; Q400-V417 HydrophobicContact CB-CG2 3.89Å; Q400-V417 WeakPolarHBondContact O-CG2 3.41Å; Q400-V417 PolarHBondContact O-N 2.79Å; V415-V417 HydrophobicContact CG2-CG2 4.47Å; V415-V417 PolarHBondContact O-N 3.2Å; V417-S420 PolarHBondContact O-N 3.05Å
418	A	89.2	Confident	88.7	Confident	83 Å²	83	25.7 Å²	25.7	69%	0.686	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-39.9	-176.7	0	0	0	0	0	111.4	D416 S420	D416-A418 VanDerWaalsContact C-N 3.34Å; D416-A418 PolarHBondContact OD1-N 3.45Å; A418-S420 VanDerWaalsContact C-N 3.33Å
419	K	88.9	Confident	88.4	Confident	63 Å²	63	21.7 Å²	21.7	27%	0.274	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-6	177.8	-66.3	-177.9	-179.8	173.6	0	113.6	A273 S275 E395 D416 S421	A273-K419 HydrophobicContact CB-CD 4.36Å; S275-K419 WeakPolarHBondContact CA-O 3.44Å; S275-K419 VanDerWaalsContact CB-O 3.31Å; S275-K419 WeakPolarHBondContact CB-O 3.37Å; S275-K419 PolarHBondContact OG-O 3.2Å; E395-K419 IonicContact OE2-NZ 3.04Å; E395-K419 PolarHBondContact OE2-NZ 3.24Å; D416-K419 HydrophobicContact CB-CB 4.27Å; D416-K419 PolarHBondContact OD1-N 3.39Å; D416-K419 VanDerWaalsContact OD1-N 3.08Å; D416-K419 WeakPolarHBondContact OD2-CD 3.45Å; K419-S421 WeakPolarHBondContact CB-OG 3.32Å; K419-S421 PolarHBondContact O-N 3.22Å
420	S	90.1	Very high	88.2	Confident	22 Å²	22	23 Å²	23	15%	0.154	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	43.2	-168.5	-172	0	0	0	0	112.1	I276 T280 D416 V417 A418	I276-S420 PolarHBondContact N-O 3Å; I276-S420 PolarHBondContact O-OG 2.94Å; T280-S420 WeakPolarHBondContact OG1-CA 3.42Å; T280-S420 VanDerWaalsContact OG1-CB 3.31Å; T280-S420 WeakPolarHBondContact OG1-CB 3.44Å; T280-S420 PolarHBondContact OG1-OG 3.46Å; D416-S420 WeakPolarHBondContact O-CA 3.32Å; D416-S420 PolarHBondContact O-N 2.72Å; V417-S420 PolarHBondContact O-N 3.05Å; A418-S420 VanDerWaalsContact C-N 3.33Å
421	S	88.1	Confident	88	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	152.2	-171.6	71.4	0	0	0	0	111.4	A273 H274 V415 D416 K419	A273-S421 VanDerWaalsContact CB-OG 3.26Å; A273-S421 WeakPolarHBondContact CB-OG 3.24Å; H274-S421 WeakPolarHBondContact O-CB 3.5Å; V415-S421 CarbonylContact C-O 3.51Å; V415-S421 VanDerWaalsContact CA-O 3.3Å; V415-S421 WeakPolarHBondContact CA-O 3.4Å; V415-S421 WeakPolarHBondContact CB-O 3.32Å; D416-S421 PolarHBondContact N-O 3.02Å; D416-S421 PolarHBondContact O-N 2.83Å; D416-S421 VanDerWaalsContact O-N 3.12Å; K419-S421 WeakPolarHBondContact CB-OG 3.32Å; K419-S421 PolarHBondContact O-N 3.22Å
422	L	87.1	Confident	87.8	Confident	26 Å²	26	31 Å²	31	14%	0.136	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	129	175.3	-176.1	81.3	0	0	0	110.7	V177 V181 I276 V415	V177-L422 HydrophobicContact CB-CD2 4.33Å; V177-L422 HydrophobicContact CG1-CD2 3.24Å; V181-L422 HydrophobicContact CG2-CD1 4.32Å; V181-L422 HydrophobicContact CG2-CD2 4.17Å; I276-L422 HydrophobicContact CD1-CB 3.98Å; V415-L422 HydrophobicContact CG1-CD1 4.24Å
423	I	84.4	Confident	87.6	Confident	6 Å²	6	32.6 Å²	32.6	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-52.1	168.5	-59.1	165.1	0	0	0	109.3	L373 L384 I394 P397 V401 F414 D416	L373-I423 HydrophobicContact CD1-CG2 4.24Å; L373-I423 HydrophobicContact CD2-CD1 4.29Å; L373-I423 HydrophobicContact CD2-CG2 3.84Å; L384-I423 HydrophobicContact CD1-CG2 3.73Å; I394-I423 HydrophobicContact CD1-CG2 4.13Å; I394-I423 WeakPolarHBondContact CD1-O 3.32Å; P397-I423 HydrophobicContact CB-CD1 4.45Å; P397-I423 HydrophobicContact CG-CD1 3.49Å; P397-I423 VanDerWaalsContact CG-CD1 3.49Å; P397-I423 HydrophobicContact CG-CG1 4.28Å; V401-I423 HydrophobicContact CG1-CD1 4.09Å; V401-I423 HydrophobicContact CG2-CD1 4.2Å; F414-I423 HydrophobicContact CB-CB 4.17Å; F414-I423 WeakPolarHBondContact O-CB 3.14Å; F414-I423 PolarHBondContact O-N 2.88Å; D416-I423 HydrophobicContact CB-CD1 4.13Å; D416-I423 HydrophobicContact CB-CG1 4.04Å
424	L	83.9	Confident	87.5	Confident	16 Å²	16	33.9 Å²	33.9	8%	0.084	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	151	-175.7	178.8	79.5	0	0	0	110.8	T386 S413 F414 Y426	T386-L424 HydrophobicContact CG2-CD1 3.97Å; T386-L424 HydrophobicContact CG2-CD2 3.16Å; T386-L424 HydrophobicContact CG2-CG 4.14Å; S413-L424 CarbonylContact C-O 3.47Å; S413-L424 VanDerWaalsContact CA-O 3.31Å; S413-L424 WeakPolarHBondContact CA-O 3.32Å; F414-L424 HydrophobicContact CD2-CB 4.18Å; F414-L424 HydrophobicContact CD2-CD2 3.9Å; F414-L424 HydrophobicContact CD2-CG 4.49Å; F414-L424 HydrophobicContact CE2-CD2 4.15Å; F414-L424 PolarHBondContact N-O 2.71Å; F414-L424 PolarHBondContact O-N 3.41Å; L424-Y426 HydrophobicContact CD2-CD2 4.06Å; L424-Y426 HydrophobicContact CD2-CE2 3.71Å
425	S	86	Confident	87.5	Confident	4 Å²	4	33.9 Å²	33.9	3%	0.028	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.7	156.5	-169.1	0	0	0	0	111.2	S413	S413-S425 WeakPolarHBondContact OG-CB 3.36Å; S413-S425 PolarHBondContact OG-OG 3.31Å
426	Y	85.3	Confident	87.5	Confident	8 Å²	8	36.2 Å²	36.2	3%	0.031	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-67	159	166	-77.8	-91.4	0	0	0	110.8	R180 L371 F372 R387 I388 V412 F414 L424	R180-Y426 PolarHBondContact NH1-O 3.17Å; L371-Y426 HydrophobicContact CB-CD2 3.96Å; L371-Y426 HydrophobicContact CB-CE1 4.45Å; L371-Y426 HydrophobicContact CB-CE2 3.88Å; L371-Y426 HydrophobicContact CB-CG 4.3Å; L371-Y426 HydrophobicContact CD1-CG 4.26Å; L371-Y426 HydrophobicContact CD2-CD1 3.7Å; L371-Y426 HydrophobicContact CD2-CE1 3.82Å; L371-Y426 HydrophobicContact CD2-CG 4.1Å; L371-Y426 HydrophobicContact CG-CG 4.46Å; F372-Y426 PolarHBondContact N-OH 2.9Å; F372-Y426 PolarHBondContact O-OH 3.43Å; R387-Y426 PolarHBondContact N-OH 3.38Å; I388-Y426 HydrophobicContact CD1-CD1 4.39Å; I388-Y426 HydrophobicContact CD1-CE1 4.29Å; I388-Y426 HydrophobicContact CG1-CE1 4.44Å; V412-Y426 PolarHBondContact O-N 3.07Å; F414-Y426 AromaticContact CE2-CD2 3.92Å; F414-Y426 HydrophobicContact CE2-CD2 3.92Å; F414-Y426 AromaticContact CE2-CE2 3.7Å; F414-Y426 HydrophobicContact CE2-CE2 3.7Å; F414-Y426 HydrophobicContact CZ-CE2 4.44Å; L424-Y426 HydrophobicContact CD2-CD2 4.06Å; L424-Y426 HydrophobicContact CD2-CE2 3.71Å
427	S	84.2	Confident	87.5	Confident	50 Å²	50	36 Å²	36	35%	0.35	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-69	151	177.4	-68.5	0	0	0	0	111.6	Y411 T430	Y411-S427 VanDerWaalsContact CB-O 3.29Å; Y411-S427 WeakPolarHBondContact CB-O 3.26Å; S427-T430 PolarHBondContact O-OG1 2.88Å
428	P	85.6	Confident	87.3	Confident	69 Å²	69	35 Å²	35	45%	0.448	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	149.2	175.4	-14.2	33.6	0	0	0	109.7	R180 G409 Y411 T430	R180-P428 VanDerWaalsContact CZ-CD 3.45Å; R180-P428 VanDerWaalsContact NH1-CD 3.34Å; G409-P428 CarbonylContact O-C 3.46Å; G409-P428 WeakPolarHBondContact O-CA 3.37Å; Y411-P428 HydrophobicContact CD1-CB 4.25Å; P428-T430 VanDerWaalsContact C-N 3.27Å; P428-T430 PolarHBondContact O-N 2.58Å
429	G	85.8	Confident	87.1	Confident	34 Å²	34	31.9 Å²	31.9	35%	0.351	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	19.6	-178.7	0	0	0	0	0	114.5	G409 G410 F431 H432	G409-G429 PolarHBondContact O-N 3.19Å; G410-G429 PolarHBondContact O-N 3.44Å; G429-F431 PolarHBondContact O-N 2.9Å; G429-H432 PolarHBondContact O-NE2 3.31Å
430	T	84.9	Confident	86.7	Confident	50 Å²	50	29 Å²	29	31%	0.307	17%	0.171	S	C	.	.	S	Bend	trans	-69.6	-25.2	175.5	-53.2	0	0	0	0	111.6	L371 G410 S427 P428	L371-T430 HydrophobicContact CD1-CG2 4.33Å; L371-T430 HydrophobicContact CD2-CG2 3.41Å; L371-T430 VanDerWaalsContact CD2-CG2 3.41Å; L371-T430 HydrophobicContact CG-CG2 4.49Å; G410-T430 PolarHBondContact O-N 3.38Å; S427-T430 PolarHBondContact O-OG1 2.88Å; P428-T430 VanDerWaalsContact C-N 3.27Å; P428-T430 PolarHBondContact O-N 2.58Å
431	F	86.3	Confident	86.2	Confident	5 Å²	5	28 Å²	28	2%	0.022	16%	0.164	C	C	.	.			trans	-138.6	154.3	172.3	73	-88.7	0	0	0	112.1	T369 L371 L405 G410 Y411 V412 G429 C433 V435	T369-F431 HydrophobicContact CG2-CB 4.47Å; L371-F431 HydrophobicContact CD1-CD1 3.63Å; L371-F431 HydrophobicContact CD1-CE1 4.09Å; L405-F431 HydrophobicContact CD1-CE1 3.91Å; L405-F431 HydrophobicContact CD1-CE2 4.49Å; L405-F431 HydrophobicContact CD1-CZ 3.5Å; L405-F431 VanDerWaalsContact CD1-CZ 3.5Å; G410-F431 VanDerWaalsContact C-CD1 3.43Å; G410-F431 WeakPolarHBondContact CA-O 3.43Å; G410-F431 WeakPolarHBondContact O-CD1 3.35Å; G410-F431 PolarHBondContact O-N 3.27Å; Y411-F431 VanDerWaalsContact N-CE1 3.29Å; V412-F431 HydrophobicContact CG2-CE1 4.44Å; G429-F431 PolarHBondContact O-N 2.9Å; F431-C433 WeakPolarHBondContact CD2-O 3.38Å; F431-V435 HydrophobicContact CD2-CG1 3.85Å; F431-V435 HydrophobicContact CE2-CG1 4.16Å; F431-V435 HydrophobicContact CE2-CG2 4.12Å; F431-V435 HydrophobicContact CG-CG1 4.21Å; F431-V435 HydrophobicContact CZ-CG2 4.29Å
432	H	85.7	Confident	85.4	Confident	174 Å²	174	28.4 Å²	28.4	81%	0.806	17%	0.166	S	C	*	.			trans	-132.6	16.6	179.7	-57.9	-66.3	0	0	0	113	G429	G429-H432 PolarHBondContact O-NE2 3.31Å
433	C	86.9	Confident	84.4	Confident	33 Å²	33	30.9 Å²	30.9	22%	0.223	17%	0.174	C	C	.	.	S	Bend	trans	-128	168.3	-175	58.6	0	0	0	0	111.8	F431 V435	F431-C433 WeakPolarHBondContact CD2-O 3.38Å; C433-V435 PolarHBondContact O-N 2.58Å
434	A	90.3	Very high	82.9	Confident	36 Å²	36	38.3 Å²	38.3	30%	0.298	22%	0.22	S	C	.	.			trans	-61.7	135.6	172.7	0	0	0	0	0	111.1	F332	F332-A434 CarbonylContact O-C 3.59Å; F332-A434 VanDerWaalsContact O-CA 3.24Å; F332-A434 WeakPolarHBondContact O-CA 3.5Å
435	V	91.3	Very high	82.9	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-126.1	156.4	179.3	-64.2	0	0	0	0	111.5	S331 F332 V353 C354 L405 F431 C433	S331-V435 CarbonylContact C-O 3.55Å; S331-V435 WeakPolarHBondContact CA-O 3.11Å; F332-V435 PolarHBondContact N-O 3.39Å; F332-V435 PolarHBondContact O-N 2.83Å; V353-V435 HydrophobicContact CB-CB 4.05Å; V353-V435 HydrophobicContact CB-CG2 4.06Å; V353-V435 HydrophobicContact CG1-CG2 4.4Å; V353-V435 HydrophobicContact CG2-CB 4.13Å; V353-V435 HydrophobicContact CG2-CG1 4.36Å; V353-V435 HydrophobicContact CG2-CG2 4.08Å; C354-V435 CarbonylContact O-C 3.56Å; C354-V435 VanDerWaalsContact O-CA 3.28Å; C354-V435 WeakPolarHBondContact O-CA 3.31Å; L405-V435 HydrophobicContact CD1-CG2 3.87Å; L405-V435 HydrophobicContact CD2-CG2 3.9Å; F431-V435 HydrophobicContact CD2-CG1 3.85Å; F431-V435 HydrophobicContact CE2-CG1 4.16Å; F431-V435 HydrophobicContact CE2-CG2 4.12Å; F431-V435 HydrophobicContact CG-CG1 4.21Å; F431-V435 HydrophobicContact CZ-CG2 4.29Å; C433-V435 PolarHBondContact O-N 2.58Å
436	R	90.6	Very high	82.7	Confident	51 Å²	51	41.3 Å²	41.3	19%	0.192	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	143.5	176.9	-68	174	179.5	-91.3	-3.6	109.8	G328 K329 V353 C354 D356 F438	G328-R436 PolarHBondContact O-NH1 3.06Å; K329-R436 PolarHBondContact O-NH1 2.83Å; V353-R436 CarbonylContact C-O 3.56Å; V353-R436 WeakPolarHBondContact CA-O 3.3Å; V353-R436 WeakPolarHBondContact CB-O 3.4Å; C354-R436 PolarHBondContact N-O 3.35Å; C354-R436 PolarHBondContact O-N 2.85Å; D356-R436 IonicContact OD1-CZ 2.87Å; D356-R436 IonicContact OD1-NE 3.46Å; D356-R436 PolarHBondContact OD1-NE 2.71Å; D356-R436 IonicContact OD1-NH2 2.69Å; R436-F438 PolarHBondContact O-N 3.45Å
437	P	91.8	Very high	82.6	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	140.1	166.6	-24.8	34.1	0	0	0	110.6	I290 F292 W327 G328 F332 W339	I290-P437 HydrophobicContact CD1-CG 3.88Å; I290-P437 HydrophobicContact CG1-CG 4.12Å; I290-P437 HydrophobicContact CG2-CB 3.78Å; I290-P437 HydrophobicContact CG2-CG 3.79Å; F292-P437 HydrophobicContact CE1-CB 4.1Å; F292-P437 HydrophobicContact CZ-CB 4.34Å; W327-P437 CarbonylContact C-O 3.5Å; W327-P437 VanDerWaalsContact CA-O 3.27Å; W327-P437 WeakPolarHBondContact CA-O 3.49Å; G328-P437 PolarHBondContact N-O 3.05Å; F332-P437 HydrophobicContact CD2-CG 4.22Å; F332-P437 HydrophobicContact CE2-CG 3.64Å; W339-P437 HydrophobicContact CH2-CB 4.34Å; W339-P437 HydrophobicContact CH2-CG 4.2Å; W339-P437 HydrophobicContact CZ2-CB 3.78Å; W339-P437 HydrophobicContact CZ2-CG 4.09Å
438	F	87.1	Confident	82.5	Confident	3 Å²	3	42.8 Å²	42.8	1%	0.013	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	140.1	-179.8	-179.7	-90.4	0	0	0	109.7	V325 T350 G352 C354 Y364 F372 R436	V325-F438 HydrophobicContact CG1-CE2 3.51Å; V325-F438 HydrophobicContact CG1-CZ 3.67Å; T350-F438 HydrophobicContact CG2-CD1 4.47Å; T350-F438 HydrophobicContact CG2-CE1 4.12Å; G352-F438 PolarHBondContact N-O 3.17Å; G352-F438 PolarHBondContact O-N 3.31Å; C354-F438 HydrophobicContact CB-CB 4.48Å; Y364-F438 HydrophobicContact CD2-CE2 4.44Å; Y364-F438 HydrophobicContact CE2-CE2 4.29Å; F372-F438 HydrophobicContact CD1-CB 4.4Å; F372-F438 AromaticContact CD1-CD1 3.95Å; F372-F438 HydrophobicContact CD1-CD1 3.95Å; F372-F438 HydrophobicContact CD1-CG 4.38Å; F372-F438 HydrophobicContact CE1-CB 3.62Å; F372-F438 AromaticContact CE1-CD1 3.52Å; F372-F438 HydrophobicContact CE1-CD1 3.52Å; F372-F438 HydrophobicContact CE1-CD2 4.34Å; F372-F438 HydrophobicContact CE1-CE1 4.26Å; F372-F438 AromaticContact CE1-CG 3.56Å; F372-F438 HydrophobicContact CE1-CG 3.56Å; F372-F438 HydrophobicContact CZ-CB 4.34Å; F372-F438 AromaticContact CZ-CD1 3.85Å; F372-F438 HydrophobicContact CZ-CD1 3.85Å; F372-F438 HydrophobicContact CZ-CD2 4.24Å; F372-F438 HydrophobicContact CZ-CE1 4.18Å; F372-F438 AromaticContact CZ-CG 3.88Å; F372-F438 HydrophobicContact CZ-CG 3.88Å; R436-F438 PolarHBondContact O-N 3.45Å
439	F	84.8	Confident	82.3	Confident	19 Å²	19	41.1 Å²	41.1	8%	0.083	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	132.9	174.6	168.6	-109.8	0	0	0	109.7	F292 S326 V341 L343 Y346 T350 A441	F292-F439 HydrophobicContact CD1-CB 4.48Å; F292-F439 HydrophobicContact CE1-CB 3.84Å; F292-F439 HydrophobicContact CZ-CB 4.03Å; S326-F439 PolarHBondContact N-O 3.41Å; S326-F439 PolarHBondContact O-N 3.18Å; S326-F439 VanDerWaalsContact O-O 3.06Å; V341-F439 HydrophobicContact CG1-CD2 4.1Å; V341-F439 HydrophobicContact CG1-CE2 4.26Å; L343-F439 HydrophobicContact CD2-CD2 4.07Å; L343-F439 HydrophobicContact CD2-CE2 3.39Å; L343-F439 HydrophobicContact CD2-CZ 4.3Å; Y346-F439 HydrophobicContact CE1-CZ 4.47Å; Y346-F439 HydrophobicContact CE2-CZ 4.39Å; T350-F439 CarbonylContact O-C 3.53Å; T350-F439 WeakPolarHBondContact O-CA 3.46Å; F439-A441 HydrophobicContact CE1-CB 4.25Å; F439-A441 HydrophobicContact CE2-CB 3.78Å; F439-A441 HydrophobicContact CZ-CB 3.42Å; F439-A441 VanDerWaalsContact CZ-CB 3.42Å
440	S	81.1	Confident	82	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	139.7	170.3	-179.1	0	0	0	0	109.1	R324 W349 T350	R324-S440 CarbonylContact O-C 3.55Å; R324-S440 VanDerWaalsContact O-CA 3.24Å; R324-S440 WeakPolarHBondContact O-CA 3.4Å; W349-S440 CarbonylContact C-O 3.6Å; W349-S440 VanDerWaalsContact CA-O 3.22Å; W349-S440 WeakPolarHBondContact CA-O 3.29Å; T350-S440 PolarHBondContact N-O 2.9Å; T350-S440 PolarHBondContact O-N 2.91Å
441	A	79.6	Confident	81.8	Confident	1 Å²	1	41 Å²	41	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	155	170.5	0	0	0	0	0	112.8	R324 Y346 R348 W349 F439	R324-A441 PolarHBondContact N-O 3.17Å; R324-A441 PolarHBondContact O-N 2.8Å; Y346-A441 HydrophobicContact CD1-CB 3.29Å; Y346-A441 HydrophobicContact CE1-CB 3.53Å; Y346-A441 HydrophobicContact CG-CB 3.83Å; R348-A441 WeakPolarHBondContact O-CA 3.42Å; W349-A441 HydrophobicContact CB-CB 4.11Å; F439-A441 HydrophobicContact CE1-CB 4.25Å; F439-A441 HydrophobicContact CE2-CB 3.78Å; F439-A441 HydrophobicContact CZ-CB 3.42Å; F439-A441 VanDerWaalsContact CZ-CB 3.42Å
442	V	71.9	Confident	81.5	Confident	8 Å²	8	43.8 Å²	43.8	5%	0.048	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.6	172.7	-177.8	0	0	0	0	109.1	E321 H323 R348	E321-V442 HydrophobicContact CB-CG1 3.78Å; E321-V442 HydrophobicContact CG-CG1 3.97Å; H323-V442 WeakPolarHBondContact CD2-CG2 3.34Å; H323-V442 VanDerWaalsContact NE2-CG2 3.25Å; H323-V442 WeakPolarHBondContact NE2-CG2 3.3Å; R348-V442 HydrophobicContact CB-CB 4.17Å; R348-V442 HydrophobicContact CB-CG2 3.99Å; R348-V442 HydrophobicContact CG-CG2 4.03Å; R348-V442 PolarHBondContact O-N 2.81Å
443	Y	64.9	Low	81.1	Confident	77 Å²	77	32.9 Å²	32.9	30%	0.302	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	144.9	169.9	-62	-89.7	0	0	0	109.3	T322 R324 Y346	T322-Y443 PolarHBondContact O-N 3.38Å; R324-Y443 HydrophobicContact CB-CD2 4.33Å; R324-Y443 HydrophobicContact CB-CE2 3.64Å; R324-Y443 HydrophobicContact CG-CE2 4.36Å; R324-Y443 PolarHBondContact NH1-OH 3.39Å; Y346-Y443 HydrophobicContact CD1-CD1 4.36Å; Y346-Y443 HydrophobicContact CD1-CE1 4.27Å; Y346-Y443 AromaticContact CE1-CD1 3.65Å; Y346-Y443 HydrophobicContact CE1-CD1 3.65Å; Y346-Y443 HydrophobicContact CE1-CD2 4.45Å; Y346-Y443 AromaticContact CE1-CE1 3.17Å; Y346-Y443 HydrophobicContact CE1-CE1 3.17Å; Y346-Y443 HydrophobicContact CE1-CE2 4.06Å; Y346-Y443 HydrophobicContact CE1-CG 4.26Å; Y346-Y443 AromaticContact CE1-CZ 3.39Å; Y346-Y443 AromaticContact CZ-CE1 3.6Å; Y346-Y443 AromaticContact CZ-CZ 3.82Å; Y346-Y443 VanDerWaalsContact OH-CE1 3.28Å; Y346-Y443 WeakPolarHBondContact OH-CE1 3.37Å; Y346-Y443 PolarHBondContact OH-OH 3.43Å
444	T	53.4	Low	80.6	Confident	163 Å²	163	32.9 Å²	32.9	100%	1	18%	0.179	S	C	*	.			trans	-82.8	0	163.4	48.9	0	0	0	0	111.1	R347	R347-T444 HydrophobicContact CG-CG2 4.27Å

Retrieved 444 of 444 residues in 388.5 ms (Link to these results)

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