A0A087WPC1_MOUSE Loading...

Tripartite motif-containing 43C

AlphaFold DB , UniProt , Accession A0A087WPC1, Species MOUSE (Mus musculus, Mouse), Gene Trim43c, Length 445 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	30.6	Very low	41.8	Very low	247 Å²	247	128 Å²	128	100%	1.217	67%	0.674	S	S	*	*				0	89.5	0	-75.3	176.7	178.9	0	0	105.8	S3	M1-S3 PolarHBondContact O-N 3.03Å
2	E	29.3	Very low	43.2	Very low	190 Å²	190	127.8 Å²	127.8	89%	0.888	67%	0.666	S	S	*	*			trans	-64.4	116.7	172.3	-73.2	160.7	147.3	0	0	106.8	D4	E2-D4 VanDerWaalsContact C-N 3.31Å; E2-D4 PolarHBondContact O-N 3.22Å
3	S	29.4	Very low	45.2	Very low	116 Å²	116	125.2 Å²	125.2	81%	0.811	66%	0.66	S	S	*	*			trans	-72.9	94.6	168	54.8	0	0	0	0	106.8	M1 N5	M1-S3 PolarHBondContact O-N 3.03Å; S3-N5 PolarHBondContact O-N 3.04Å
4	D	33.2	Very low	48	Very low	140 Å²	140	116.5 Å²	116.5	75%	0.749	61%	0.614	S	S	*	*			trans	-49.6	112.6	169.6	-95.2	-30.7	0	0	0	109	E2 L6	E2-D4 VanDerWaalsContact C-N 3.31Å; E2-D4 PolarHBondContact O-N 3.22Å; D4-L6 HydrophobicContact CB-CG 4.49Å; D4-L6 PolarHBondContact O-N 3.23Å
5	N	38.7	Very low	50.6	Low	144 Å²	144	111.9 Å²	111.9	77%	0.77	59%	0.592	S	S	*	*			trans	-74.6	76	174.3	-150.2	-4.6	0	0	0	106.6	S3 Q7	S3-N5 PolarHBondContact O-N 3.04Å; N5-Q7 PolarHBondContact O-N 2.79Å
6	L	38.8	Very low	52.9	Low	158 Å²	158	104.9 Å²	104.9	83%	0.827	56%	0.555	S	S	*	*			trans	-67.4	84.7	174.1	-79.8	158.5	0	0	0	108.1	D4 D8	D4-L6 HydrophobicContact CB-CG 4.49Å; D4-L6 PolarHBondContact O-N 3.23Å; L6-D8 PolarHBondContact O-N 2.94Å
7	Q	46.9	Very low	54.8	Low	101 Å²	101	101.9 Å²	101.9	47%	0.472	55%	0.545	S	S	.	.			trans	-60.7	124.2	166	-84.8	172	-76	0	0	108.5	N5	N5-Q7 PolarHBondContact O-N 2.79Å
8	D	51.6	Low	56.5	Low	51 Å²	51	99.6 Å²	99.6	27%	0.273	53%	0.532	S	S	.	.			trans	-57.6	127.7	176	-177.1	-17.2	0	0	0	108.6	L6 Q10 E11 K80	L6-D8 PolarHBondContact O-N 2.94Å; D8-Q10 PolarHBondContact O-N 3.41Å; D8-Q10 PolarHBondContact OD1-N 3.16Å; D8-E11 HydrophobicContact CB-CG 4.1Å; D8-E11 WeakPolarHBondContact O-CB 3.43Å; D8-E11 PolarHBondContact O-N 2.86Å; D8-K80 IonicContact OD2-NZ 3.95Å; D8-K80 PolarHBondContact OD2-NZ 3.45Å
9	P	48.8	Very low	58	Low	103 Å²	103	96.9 Å²	96.9	67%	0.669	52%	0.521	S	S	*	.	H	α-helix	trans	-54	-21.3	-177.9	-26.8	32.9	0	0	0	114.5
10	Q	54.5	Low	59.4	Low	138 Å²	138	98.9 Å²	98.9	65%	0.645	53%	0.527	S	S	*	.	H	α-helix	trans	-71.1	-30.1	172.6	-69.9	-170.6	-16.3	0	0	113.2	D8 T13	D8-Q10 PolarHBondContact O-N 3.41Å; D8-Q10 PolarHBondContact OD1-N 3.16Å; Q10-T13 PolarHBondContact O-OG1 3.44Å
11	E	58.3	Low	60.5	Low	20 Å²	20	95 Å²	95	9%	0.093	51%	0.51	C	S	.	.	H	α-helix	trans	-74.7	-32	-176.1	-68.3	-170.2	152.8	0	0	113.5	D8 T13 L14 V77 R81	D8-E11 HydrophobicContact CB-CG 4.1Å; D8-E11 WeakPolarHBondContact O-CB 3.43Å; D8-E11 PolarHBondContact O-N 2.86Å; E11-T13 PolarHBondContact O-N 3.42Å; E11-L14 PolarHBondContact O-N 3.28Å; E11-V77 HydrophobicContact CG-CG1 3.83Å; E11-V77 HydrophobicContact CG-CG2 4.44Å; E11-V77 WeakPolarHBondContact OE1-CG1 3.31Å; E11-R81 IonicContact OE1-CZ 3.38Å; E11-R81 IonicContact OE1-NE 3.55Å; E11-R81 PolarHBondContact OE1-NE 3.24Å; E11-R81 IonicContact OE1-NH2 3.98Å; E11-R81 PolarHBondContact OE1-NH2 3.47Å; E11-R81 IonicContact OE2-CZ 3.53Å; E11-R81 IonicContact OE2-NE 3.61Å; E11-R81 IonicContact OE2-NH2 2.62Å; E11-R81 PolarHBondContact OE2-NH2 3.39Å
12	E	58.5	Low	63.1	Low	125 Å²	125	84.1 Å²	84.1	58%	0.584	46%	0.457	S	S	*	.	H	α-helix	trans	-59.6	-35.4	177.9	-71.6	-173.6	165.3	0	0	111.7	L14 T15	E12-L14 PolarHBondContact O-N 3.04Å; E12-T15 PolarHBondContact O-OG1 3.33Å
13	T	69.6	Low	65.7	Low	94 Å²	94	75.1 Å²	75.1	58%	0.577	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-7.4	179.2	71.2	0	0	0	0	114.4	Q10 E11	Q10-T13 PolarHBondContact O-OG1 3.44Å; E11-T13 PolarHBondContact O-N 3.42Å
14	L	84.3	Confident	67.9	Low	4 Å²	4	71 Å²	71	2%	0.021	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	14	-176.6	-58.4	179.9	0	0	0	113.3	E11 E12 I22 F23 L70 Q73 V77	E11-L14 PolarHBondContact O-N 3.28Å; E12-L14 PolarHBondContact O-N 3.04Å; L14-I22 WeakPolarHBondContact O-CA 3.29Å; L14-F23 WeakPolarHBondContact O-CD2 3.43Å; L14-F23 PolarHBondContact O-N 3.02Å; L14-L70 HydrophobicContact CD2-CD1 3.21Å; L14-L70 HydrophobicContact CD2-CG 4.5Å; L14-Q73 HydrophobicContact CD1-CB 4.35Å; L14-Q73 HydrophobicContact CD2-CB 4.02Å; L14-V77 HydrophobicContact CD1-CB 4.14Å; L14-V77 HydrophobicContact CD1-CG2 3.49Å; L14-V77 VanDerWaalsContact CD1-CG2 3.49Å
15	T	86.8	Confident	69.9	Low	47 Å²	47	65.7 Å²	65.7	29%	0.288	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-99.7	142.5	-179.4	60.4	0	0	0	0	111.9	E12 G21 F23	E12-T15 PolarHBondContact O-OG1 3.33Å; T15-G21 CarbonylContact C-O 3.57Å; T15-G21 WeakPolarHBondContact CA-O 3.46Å; T15-F23 WeakPolarHBondContact O-CZ 3.04Å
16	C	86.8	Confident	72.1	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.318	C	S	.	.			trans	-83.7	125.4	173.7	178.4	0	0	0	0	110.3	I18 Q20 G21 F23 C36	C16-I18 PolarHBondContact O-N 3.08Å; C16-I18 PolarHBondContact SG-N 3.24Å; C16-Q20 WeakPolarHBondContact O-CA 3.37Å; C16-Q20 PolarHBondContact O-N 3.44Å; C16-G21 PolarHBondContact N-O 3.46Å; C16-F23 HydrophobicContact CB-CD1 3.71Å; C16-F23 HydrophobicContact CB-CE1 3.57Å; C16-C36 PolarHBondContact SG-N 3.4Å; C16-C36 VanDerWaalsContact SG-N 3.37Å
17	S	86.3	Confident	74.2	Confident	55 Å²	55	51.3 Å²	51.3	39%	0.385	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-3	179.6	70.9	0	0	0	0	115.1	Q20 F35 T55	S17-Q20 PolarHBondContact O-NE2 3.44Å; S17-F35 VanDerWaalsContact OG-CE1 3.28Å; S17-F35 WeakPolarHBondContact OG-CE1 3.21Å; S17-T55 PolarHBondContact OG-OG1 3.45Å
18	I	84.9	Confident	76	Confident	60 Å²	60	50.1 Å²	50.1	31%	0.308	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-59.1	176.7	-61.1	169.4	0	0	0	110	C16 F35 C39 F43 P54	C16-I18 PolarHBondContact O-N 3.08Å; C16-I18 PolarHBondContact SG-N 3.24Å; I18-F35 HydrophobicContact CD1-CB 4.42Å; I18-F35 HydrophobicContact CD1-CD1 3.54Å; I18-F35 HydrophobicContact CD1-CE1 4.16Å; I18-F35 HydrophobicContact CD1-CG 4.19Å; I18-F35 HydrophobicContact CG1-CD1 3.8Å; I18-F35 HydrophobicContact CG1-CE1 4.19Å; I18-C39 HydrophobicContact CB-CB 3.78Å; I18-C39 HydrophobicContact CD1-CB 3.73Å; I18-C39 WeakPolarHBondContact CD1-O 3.49Å; I18-C39 HydrophobicContact CG1-CB 4.35Å; I18-C39 HydrophobicContact CG2-CB 3.83Å; I18-F43 HydrophobicContact CD1-CB 4.24Å; I18-P54 HydrophobicContact CD1-CB 4.31Å; I18-P54 HydrophobicContact CD1-CG 3.88Å; I18-P54 HydrophobicContact CG1-CB 4.32Å; I18-P54 HydrophobicContact CG1-CG 4.42Å
19	C	84.5	Confident	77.5	Confident	49 Å²	49	48 Å²	48	33%	0.331	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-7.7	-179.9	66.6	0	0	0	0	114.1	G21	C19-G21 PolarHBondContact O-N 3.44Å
20	Q	85.4	Confident	79	Confident	136 Å²	136	53.1 Å²	53.1	64%	0.636	27%	0.265	S	S	*	.			trans	58.6	11.6	-175.1	-54.5	-64.4	-23.6	0	0	114.4	C16 S17	C16-Q20 WeakPolarHBondContact O-CA 3.37Å; C16-Q20 PolarHBondContact O-N 3.44Å; S17-Q20 PolarHBondContact O-NE2 3.44Å
21	G	84.1	Confident	80.5	Confident	17 Å²	17	48.3 Å²	48.3	18%	0.175	25%	0.246	C	C	.	.	S	Bend	trans	-100.7	169.6	177.5	0	0	0	0	0	113.2	T15 C16 C19 F23	T15-G21 CarbonylContact C-O 3.57Å; T15-G21 WeakPolarHBondContact CA-O 3.46Å; C16-G21 PolarHBondContact N-O 3.46Å; C19-G21 PolarHBondContact O-N 3.44Å; G21-F23 PolarHBondContact O-N 3.36Å
22	I	84.4	Confident	81.7	Confident	18 Å²	18	49.8 Å²	49.8	9%	0.092	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-62.9	133.7	173.7	-62.7	175.6	0	0	0	108.9	L14 M24 V74 V77 R78 Q237	L14-I22 WeakPolarHBondContact O-CA 3.29Å; I22-M24 PolarHBondContact O-N 3.27Å; I22-V74 HydrophobicContact CG2-CB 4.41Å; I22-V74 HydrophobicContact CG2-CG1 3.88Å; I22-V74 HydrophobicContact CG2-CG2 4.18Å; I22-V77 HydrophobicContact CD1-CG1 4.1Å; I22-R78 HydrophobicContact CD1-CG 4.28Å; I22-R78 HydrophobicContact CG2-CG 4.26Å; I22-R78 PolarHBondContact O-NH2 3.4Å; I22-Q237 PolarHBondContact O-OE1 2.98Å; I22-Q237 VanDerWaalsContact O-OE1 3.06Å
23	F	84.1	Confident	83.1	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.009	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-48.1	140.6	179	-64.3	-63.1	0	0	0	112.9	L14 T15 C16 G21 P26 K34 L70 V74	L14-F23 WeakPolarHBondContact O-CD2 3.43Å; L14-F23 PolarHBondContact O-N 3.02Å; T15-F23 WeakPolarHBondContact O-CZ 3.04Å; C16-F23 HydrophobicContact CB-CD1 3.71Å; C16-F23 HydrophobicContact CB-CE1 3.57Å; G21-F23 PolarHBondContact O-N 3.36Å; F23-P26 HydrophobicContact CB-CB 3.75Å; F23-P26 HydrophobicContact CB-CG 4.04Å; F23-P26 HydrophobicContact CD1-CB 4.13Å; F23-P26 HydrophobicContact CD2-CB 4.11Å; F23-P26 HydrophobicContact CG-CB 3.75Å; F23-K34 HydrophobicContact CE1-CB 4.14Å; F23-K34 HydrophobicContact CE2-CB 4.22Å; F23-K34 HydrophobicContact CZ-CB 3.57Å; F23-L70 HydrophobicContact CD2-CD1 4.36Å; F23-L70 HydrophobicContact CD2-CD2 4.04Å; F23-L70 HydrophobicContact CD2-CG 4.2Å; F23-L70 HydrophobicContact CE2-CD2 4.01Å; F23-V74 HydrophobicContact CB-CG2 3.74Å; F23-V74 HydrophobicContact CD2-CG2 4.4Å; F23-V74 WeakPolarHBondContact O-CG1 3.32Å
24	M	74.7	Confident	83.9	Confident	30 Å²	30	46 Å²	46	15%	0.148	24%	0.241	C	C	.	.	S	Bend	trans	-98.4	-56.2	172.3	-82.3	-67.4	-57.1	0	0	111.1	I22 R78 M137 L141	I22-M24 PolarHBondContact O-N 3.27Å; M24-R78 PolarHBondContact SD-NH1 2.69Å; M24-R78 PolarHBondContact SD-NH2 3.31Å; M24-M137 HydrophobicContact CE-CE 4.46Å; M24-M137 HydrophobicContact CE-SD 3.8Å; M24-M137 HydrophobicContact SD-CE 4.44Å; M24-L141 HydrophobicContact CE-CD2 4.03Å; M24-L141 HydrophobicContact CE-CG 4.41Å
25	D	75.4	Confident	84.1	Confident	27 Å²	27	45.8 Å²	45.8	14%	0.144	24%	0.24	C	C	.	.	S	Bend	trans	-127.9	83.7	171.4	-165.1	-29.1	0	0	0	107.5	V27 C36 E37 K71	D25-V27 PolarHBondContact O-N 2.84Å; D25-C36 CarbonylContact O-C 3.58Å; D25-E37 HydrophobicContact CB-CB 4.14Å; D25-E37 WeakPolarHBondContact O-CB 3.38Å; D25-E37 PolarHBondContact O-N 3.36Å; D25-K71 WeakPolarHBondContact OD1-CE 3.42Å; D25-K71 IonicContact OD1-NZ 3.65Å; D25-K71 PolarHBondContact OD1-NZ 3.35Å; D25-K71 IonicContact OD2-NZ 3.89Å; D25-K71 PolarHBondContact OD2-NZ 2.87Å
26	P	84.8	Confident	83.9	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	128.1	-176	23	-30.6	0	0	0	111.8	F23 F35 D67 L70 K71	F23-P26 HydrophobicContact CB-CB 3.75Å; F23-P26 HydrophobicContact CB-CG 4.04Å; F23-P26 HydrophobicContact CD1-CB 4.13Å; F23-P26 HydrophobicContact CD2-CB 4.11Å; F23-P26 HydrophobicContact CG-CB 3.75Å; P26-F35 CarbonylContact C-O 3.5Å; P26-F35 WeakPolarHBondContact CA-O 3.5Å; P26-D67 PolarHBondContact O-N 2.65Å; P26-L70 HydrophobicContact CB-CB 4.19Å; P26-L70 HydrophobicContact CB-CD2 3.4Å; P26-L70 HydrophobicContact CB-CG 3.66Å; P26-L70 HydrophobicContact CG-CB 3.87Å; P26-L70 HydrophobicContact CG-CD2 4.01Å; P26-L70 HydrophobicContact CG-CG 3.69Å; P26-K71 HydrophobicContact CG-CG 3.83Å
27	V	83.5	Confident	83.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	151.3	170.4	-62.4	0	0	0	0	109.7	D25 K34 F35 E37 L40 Y64	D25-V27 PolarHBondContact O-N 2.84Å; V27-K34 CarbonylContact O-C 3.5Å; V27-K34 VanDerWaalsContact O-CA 3.29Å; V27-K34 WeakPolarHBondContact O-CA 3.5Å; V27-F35 PolarHBondContact N-O 3.16Å; V27-F35 PolarHBondContact O-N 2.94Å; V27-E37 HydrophobicContact CG1-CB 3.68Å; V27-E37 HydrophobicContact CG1-CG 3.87Å; V27-E37 HydrophobicContact CG2-CB 4.28Å; V27-L40 HydrophobicContact CG2-CD2 3.79Å; V27-Y64 HydrophobicContact CB-CD2 4.21Å; V27-Y64 HydrophobicContact CB-CG 4.44Å; V27-Y64 HydrophobicContact CG1-CD2 3.75Å; V27-Y64 HydrophobicContact CG1-CE2 4.33Å; V27-Y64 HydrophobicContact CG1-CG 4.44Å
28	Y	85.4	Confident	83	Confident	76 Å²	76	43.9 Å²	43.9	30%	0.298	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	147.9	171.8	67.4	-86.1	0	0	0	112.4	H33 I65 D67	Y28-H33 VanDerWaalsContact CA-O 3.29Å; Y28-H33 WeakPolarHBondContact CA-O 3.13Å; Y28-I65 HydrophobicContact CD1-CB 4.28Å; Y28-I65 WeakPolarHBondContact CD1-O 3.36Å; Y28-I65 HydrophobicContact CE1-CB 3.55Å; Y28-I65 HydrophobicContact CE1-CG2 3.65Å; Y28-I65 HydrophobicContact CE2-CB 4.13Å; Y28-I65 HydrophobicContact CE2-CD1 3.93Å; Y28-I65 HydrophobicContact CE2-CG1 4.49Å; Y28-I65 VanDerWaalsContact CZ-CB 3.47Å; Y28-I65 PolarHBondContact N-O 2.58Å; Y28-I65 WeakPolarHBondContact OH-CB 3.33Å; Y28-I65 VanDerWaalsContact OH-CD1 3.26Å; Y28-I65 WeakPolarHBondContact OH-CD1 3.38Å; Y28-I65 VanDerWaalsContact OH-CG2 3.29Å; Y28-I65 WeakPolarHBondContact OH-CG2 3.47Å; Y28-D67 HydrophobicContact CD1-CB 4.07Å; Y28-D67 HydrophobicContact CE1-CB 4.32Å
29	L	82.7	Confident	82.8	Confident	6 Å²	6	41.3 Å²	41.3	3%	0.031	21%	0.21	C	C	.	.			trans	-88.2	162.1	170.3	-65.1	-175.9	0	0	0	110.4	C31 G32 H33 F35 L40 C53	L29-C31 VanDerWaalsContact CB-SG 3.59Å; L29-C31 PolarHBondContact O-N 3.23Å; L29-C31 VanDerWaalsContact O-N 3.08Å; L29-G32 PolarHBondContact O-N 2.73Å; L29-H33 PolarHBondContact N-O 2.94Å; L29-F35 HydrophobicContact CD1-CD2 4.32Å; L29-F35 HydrophobicContact CD1-CE2 3.7Å; L29-F35 HydrophobicContact CG-CD2 4.25Å; L29-F35 HydrophobicContact CG-CE2 3.98Å; L29-L40 HydrophobicContact CD1-CD1 4.03Å; L29-L40 HydrophobicContact CD2-CD1 4.35Å; L29-L40 HydrophobicContact CD2-CD2 3.57Å; L29-L40 HydrophobicContact CG-CD1 4.42Å; L29-L40 HydrophobicContact CG-CD2 4.11Å; L29-C53 HydrophobicContact CD1-CB 3.84Å
30	R	80.1	Confident	82.6	Confident	212 Å²	212	39 Å²	39	80%	0.8	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.3	176.9	-69.3	-173.5	178.9	-171.9	-0.4	113.9	G32	R30-G32 PolarHBondContact O-N 3.11Å
31	C	85.4	Confident	82.1	Confident	37 Å²	37	33.5 Å²	33.5	25%	0.25	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	2.3	173.7	64.6	0	0	0	0	113.7	L29 H33 C53	L29-C31 VanDerWaalsContact CB-SG 3.59Å; L29-C31 PolarHBondContact O-N 3.23Å; L29-C31 VanDerWaalsContact O-N 3.08Å; C31-H33 VanDerWaalsContact C-N 3.33Å; C31-H33 PolarHBondContact O-N 2.83Å; C31-H33 PolarHBondContact SG-ND1 3.15Å; C31-H33 VanDerWaalsContact SG-ND1 3.4Å; C31-C53 PolarHBondContact SG-SG 2.96Å
32	G	83.4	Confident	81.6	Confident	50 Å²	50	34.6 Å²	34.6	52%	0.515	17%	0.171	S	C	.	.	S	Bend	trans	86.1	-9.8	177.8	0	0	0	0	0	115.6	L29 R30	L29-G32 PolarHBondContact O-N 2.73Å; R30-G32 PolarHBondContact O-N 3.11Å
33	H	88.2	Confident	81.1	Confident	59 Å²	59	37 Å²	37	27%	0.273	18%	0.181	S	C	.	.			trans	-74.8	140.4	179.2	-67	107.9	0	0	0	112.1	Y28 L29 C31 F35 C53 C56	Y28-H33 VanDerWaalsContact CA-O 3.29Å; Y28-H33 WeakPolarHBondContact CA-O 3.13Å; L29-H33 PolarHBondContact N-O 2.94Å; C31-H33 VanDerWaalsContact C-N 3.33Å; C31-H33 PolarHBondContact O-N 2.83Å; C31-H33 PolarHBondContact SG-ND1 3.15Å; C31-H33 VanDerWaalsContact SG-ND1 3.4Å; H33-F35 HydrophobicContact CB-CE2 3.56Å; H33-F35 HydrophobicContact CB-CZ 3.61Å; H33-C53 PolarHBondContact ND1-SG 2.89Å; H33-C53 VanDerWaalsContact ND1-SG 3.42Å; H33-C56 VanDerWaalsContact CE1-CB 3.5Å; H33-C56 WeakPolarHBondContact CE1-CB 3.4Å; H33-C56 PolarHBondContact ND1-SG 3.25Å
34	K	87.7	Confident	80.5	Confident	81 Å²	81	37.9 Å²	37.9	35%	0.352	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	139	-174.1	-69.2	159.5	167.2	-171.7	0	111.1	F23 V27 D67 L70	F23-K34 HydrophobicContact CE1-CB 4.14Å; F23-K34 HydrophobicContact CE2-CB 4.22Å; F23-K34 HydrophobicContact CZ-CB 3.57Å; V27-K34 CarbonylContact O-C 3.5Å; V27-K34 VanDerWaalsContact O-CA 3.29Å; V27-K34 WeakPolarHBondContact O-CA 3.5Å; K34-D67 IonicContact NZ-OD2 3.66Å; K34-L70 HydrophobicContact CB-CD2 4.37Å; K34-L70 HydrophobicContact CD-CD2 3.57Å; K34-L70 HydrophobicContact CG-CD2 4.04Å
35	F	87	Confident	79.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	158	-178.1	-54	-79.5	0	0	0	109.5	S17 I18 P26 V27 L29 H33 E37 L40 P54 T55	S17-F35 VanDerWaalsContact OG-CE1 3.28Å; S17-F35 WeakPolarHBondContact OG-CE1 3.21Å; I18-F35 HydrophobicContact CD1-CB 4.42Å; I18-F35 HydrophobicContact CD1-CD1 3.54Å; I18-F35 HydrophobicContact CD1-CE1 4.16Å; I18-F35 HydrophobicContact CD1-CG 4.19Å; I18-F35 HydrophobicContact CG1-CD1 3.8Å; I18-F35 HydrophobicContact CG1-CE1 4.19Å; P26-F35 CarbonylContact C-O 3.5Å; P26-F35 WeakPolarHBondContact CA-O 3.5Å; V27-F35 PolarHBondContact N-O 3.16Å; V27-F35 PolarHBondContact O-N 2.94Å; L29-F35 HydrophobicContact CD1-CD2 4.32Å; L29-F35 HydrophobicContact CD1-CE2 3.7Å; L29-F35 HydrophobicContact CG-CD2 4.25Å; L29-F35 HydrophobicContact CG-CE2 3.98Å; H33-F35 HydrophobicContact CB-CE2 3.56Å; H33-F35 HydrophobicContact CB-CZ 3.61Å; F35-E37 PolarHBondContact O-N 3.35Å; F35-L40 HydrophobicContact CB-CB 3.82Å; F35-L40 HydrophobicContact CD2-CB 4.48Å; F35-L40 HydrophobicContact CD2-CD1 3.92Å; F35-L40 HydrophobicContact CD2-CD2 4.27Å; F35-L40 HydrophobicContact CD2-CG 4.45Å; F35-L40 HydrophobicContact CE2-CD1 4.3Å; F35-L40 HydrophobicContact CG-CB 4.27Å; F35-L40 HydrophobicContact CG-CD1 4.29Å; F35-P54 HydrophobicContact CD1-CG 4.2Å; F35-P54 HydrophobicContact CE1-CB 3.86Å; F35-P54 HydrophobicContact CE1-CG 3.63Å; F35-P54 HydrophobicContact CE2-CG 4.32Å; F35-P54 HydrophobicContact CZ-CB 4.11Å; F35-P54 HydrophobicContact CZ-CG 3.71Å; F35-T55 WeakPolarHBondContact CE1-OG1 3.31Å; F35-T55 WeakPolarHBondContact CZ-OG1 3.33Å
36	C	83.2	Confident	79	Confident	2 Å²	2	43 Å²	43	1%	0.014	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	134.7	156.8	-61.8	0	0	0	0	107.6	C16 D25 T38 C39 L40	C16-C36 PolarHBondContact SG-N 3.4Å; C16-C36 VanDerWaalsContact SG-N 3.37Å; D25-C36 CarbonylContact O-C 3.58Å; C36-T38 PolarHBondContact O-N 2.94Å; C36-C39 HydrophobicContact CB-CB 3.96Å; C36-C39 PolarHBondContact O-N 2.96Å; C36-L40 PolarHBondContact O-N 3.43Å
37	E	79	Confident	77.7	Confident	46 Å²	46	45.7 Å²	45.7	22%	0.215	23%	0.226	C	C	.	.	H	α-helix	trans	-46.2	-51.6	176.5	-170.8	179.6	-168.9	0	0	109.7	D25 V27 F35 C39 L40 L41 Y64	D25-E37 HydrophobicContact CB-CB 4.14Å; D25-E37 WeakPolarHBondContact O-CB 3.38Å; D25-E37 PolarHBondContact O-N 3.36Å; V27-E37 HydrophobicContact CG1-CB 3.68Å; V27-E37 HydrophobicContact CG1-CG 3.87Å; V27-E37 HydrophobicContact CG2-CB 4.28Å; F35-E37 PolarHBondContact O-N 3.35Å; E37-C39 PolarHBondContact O-N 3.38Å; E37-L40 PolarHBondContact O-N 3.5Å; E37-L41 HydrophobicContact CG-CD1 3.85Å; E37-L41 HydrophobicContact CG-CG 4.45Å; E37-L41 WeakPolarHBondContact O-CB 3.4Å; E37-L41 WeakPolarHBondContact O-CG 3.4Å; E37-L41 PolarHBondContact O-N 3.44Å; E37-Y64 HydrophobicContact CG-CE2 3.99Å; E37-Y64 WeakPolarHBondContact OE1-CE2 3.12Å; E37-Y64 PolarHBondContact OE1-OH 2.94Å
38	T	75.4	Confident	76.3	Confident	14 Å²	14	53.6 Å²	53.6	9%	0.086	26%	0.26	C	S	.	.	H	α-helix	trans	-56.1	-46.5	176	-55.8	0	0	0	0	114.8	C36 L40 L41 L42 M144 Y229 M233	C36-T38 PolarHBondContact O-N 2.94Å; T38-L40 VanDerWaalsContact C-N 3.34Å; T38-L40 PolarHBondContact O-N 2.78Å; T38-L41 WeakPolarHBondContact O-CB 3.3Å; T38-L41 PolarHBondContact O-N 2.95Å; T38-L42 HydrophobicContact CG2-CD1 4.35Å; T38-L42 PolarHBondContact O-N 3.37Å; T38-M144 HydrophobicContact CG2-CE 3.98Å; T38-Y229 HydrophobicContact CG2-CE1 3.32Å; T38-Y229 WeakPolarHBondContact CG2-OH 2.99Å; T38-M233 HydrophobicContact CG2-CE 3.86Å; T38-M233 HydrophobicContact CG2-CG 3.89Å; T38-M233 HydrophobicContact CG2-SD 3.24Å; T38-M233 WeakPolarHBondContact CG2-SD 3.47Å
39	C	81	Confident	74.8	Confident	5 Å²	5	57.3 Å²	57.3	3%	0.034	28%	0.278	C	S	.	.	H	α-helix	trans	-66.3	-40.5	-178.1	-68.9	0	0	0	0	111.5	I18 C36 E37 L41 F43 M233	I18-C39 HydrophobicContact CB-CB 3.78Å; I18-C39 HydrophobicContact CD1-CB 3.73Å; I18-C39 WeakPolarHBondContact CD1-O 3.49Å; I18-C39 HydrophobicContact CG1-CB 4.35Å; I18-C39 HydrophobicContact CG2-CB 3.83Å; C36-C39 HydrophobicContact CB-CB 3.96Å; C36-C39 PolarHBondContact O-N 2.96Å; E37-C39 PolarHBondContact O-N 3.38Å; C39-L41 VanDerWaalsContact C-N 3.32Å; C39-F43 WeakPolarHBondContact O-CB 3.32Å; C39-F43 PolarHBondContact O-N 2.84Å; C39-M233 VanDerWaalsContact SG-CE 3.54Å
40	L	80.2	Confident	73.5	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-65.3	-40.2	176.5	179.6	64.4	0	0	0	111.4	V27 L29 F35 C36 E37 T38 F43 Q44 P54	V27-L40 HydrophobicContact CG2-CD2 3.79Å; L29-L40 HydrophobicContact CD1-CD1 4.03Å; L29-L40 HydrophobicContact CD2-CD1 4.35Å; L29-L40 HydrophobicContact CD2-CD2 3.57Å; L29-L40 HydrophobicContact CG-CD1 4.42Å; L29-L40 HydrophobicContact CG-CD2 4.11Å; F35-L40 HydrophobicContact CB-CB 3.82Å; F35-L40 HydrophobicContact CD2-CB 4.48Å; F35-L40 HydrophobicContact CD2-CD1 3.92Å; F35-L40 HydrophobicContact CD2-CD2 4.27Å; F35-L40 HydrophobicContact CD2-CG 4.45Å; F35-L40 HydrophobicContact CE2-CD1 4.3Å; F35-L40 HydrophobicContact CG-CB 4.27Å; F35-L40 HydrophobicContact CG-CD1 4.29Å; C36-L40 PolarHBondContact O-N 3.43Å; E37-L40 PolarHBondContact O-N 3.5Å; T38-L40 VanDerWaalsContact C-N 3.34Å; T38-L40 PolarHBondContact O-N 2.78Å; L40-F43 PolarHBondContact O-N 2.76Å; L40-Q44 WeakPolarHBondContact O-CB 3.46Å; L40-Q44 VanDerWaalsContact O-CG 3.26Å; L40-Q44 WeakPolarHBondContact O-CG 3.41Å; L40-Q44 PolarHBondContact O-N 3.03Å; L40-Q44 VanDerWaalsContact O-N 3.08Å; L40-P54 HydrophobicContact CD1-CG 3.97Å
41	L	73.6	Confident	73	Confident	20 Å²	20	49.5 Å²	49.5	11%	0.105	26%	0.256	C	S	.	.	H	α-helix	trans	-61.7	-48.8	177.2	-78.6	172.2	0	0	0	111.8	E37 T38 C39 Q44 E45 Y64 W148	E37-L41 HydrophobicContact CG-CD1 3.85Å; E37-L41 HydrophobicContact CG-CG 4.45Å; E37-L41 WeakPolarHBondContact O-CB 3.4Å; E37-L41 WeakPolarHBondContact O-CG 3.4Å; E37-L41 PolarHBondContact O-N 3.44Å; T38-L41 WeakPolarHBondContact O-CB 3.3Å; T38-L41 PolarHBondContact O-N 2.95Å; C39-L41 VanDerWaalsContact C-N 3.32Å; L41-Q44 PolarHBondContact O-N 3.5Å; L41-E45 WeakPolarHBondContact O-CG 3.28Å; L41-E45 PolarHBondContact O-N 3.2Å; L41-Y64 HydrophobicContact CD2-CE1 4.4Å; L41-W148 HydrophobicContact CB-CH2 3.59Å; L41-W148 HydrophobicContact CB-CZ2 3.47Å; L41-W148 VanDerWaalsContact CB-CZ2 3.47Å; L41-W148 HydrophobicContact CB-CZ3 4.19Å; L41-W148 HydrophobicContact CD1-CD2 4.32Å; L41-W148 HydrophobicContact CD1-CZ2 4.07Å; L41-W148 HydrophobicContact CD2-CZ2 3.7Å; L41-W148 HydrophobicContact CG-CZ2 3.93Å
42	L	73.8	Confident	72.8	Confident	40 Å²	40	52 Å²	52	21%	0.209	26%	0.261	C	S	.	.	H	α-helix	trans	-60.9	-45.2	175.5	-75	171.8	0	0	0	112.5	T38 Q44 E45 W148 Y229	T38-L42 HydrophobicContact CG2-CD1 4.35Å; T38-L42 PolarHBondContact O-N 3.37Å; L42-Q44 PolarHBondContact O-N 3.1Å; L42-E45 WeakPolarHBondContact O-CB 3.39Å; L42-E45 PolarHBondContact O-N 3.22Å; L42-W148 HydrophobicContact CD2-CZ3 3.93Å; L42-W148 HydrophobicContact CG-CZ3 4.31Å; L42-Y229 HydrophobicContact CD1-CD1 4.13Å; L42-Y229 HydrophobicContact CD1-CE1 3.8Å; L42-Y229 HydrophobicContact CD2-CD1 4.31Å; L42-Y229 HydrophobicContact CD2-CE1 4.16Å; L42-Y229 HydrophobicContact CG-CE1 4.06Å
43	F	75.6	Confident	72.9	Confident	68 Å²	68	49.7 Å²	49.7	30%	0.298	24%	0.237	S	C	.	.	H	α-helix	trans	-60.3	-35.4	178.1	178.4	-92.1	0	0	0	112.7	I18 C39 L40 E45 I47 P54	I18-F43 HydrophobicContact CD1-CB 4.24Å; C39-F43 WeakPolarHBondContact O-CB 3.32Å; C39-F43 PolarHBondContact O-N 2.84Å; L40-F43 PolarHBondContact O-N 2.76Å; F43-E45 PolarHBondContact O-N 3.11Å; F43-I47 HydrophobicContact CD1-CD1 4.06Å; F43-I47 HydrophobicContact CE1-CD1 3.39Å; F43-I47 HydrophobicContact CE2-CD1 4.43Å; F43-I47 HydrophobicContact CZ-CD1 3.62Å; F43-P54 HydrophobicContact CD1-CB 4.08Å; F43-P54 HydrophobicContact CD1-CG 3.54Å; F43-P54 HydrophobicContact CD2-CB 4.24Å; F43-P54 HydrophobicContact CD2-CG 4.4Å; F43-P54 HydrophobicContact CE1-CB 3.86Å; F43-P54 HydrophobicContact CE1-CG 3.69Å; F43-P54 HydrophobicContact CE2-CB 4.06Å; F43-P54 HydrophobicContact CG-CB 4.25Å; F43-P54 HydrophobicContact CG-CG 3.91Å; F43-P54 HydrophobicContact CZ-CB 3.85Å; F43-P54 HydrophobicContact CZ-CG 4.21Å
44	Q	70.3	Confident	72.8	Confident	20 Å²	20	48.3 Å²	48.3	9%	0.093	23%	0.233	C	C	.	.	H	α-helix	trans	-73.1	-14.8	176.8	-73	175.1	-0.4	0	0	112.9	L40 L41 L42 A51	L40-Q44 WeakPolarHBondContact O-CB 3.46Å; L40-Q44 VanDerWaalsContact O-CG 3.26Å; L40-Q44 WeakPolarHBondContact O-CG 3.41Å; L40-Q44 PolarHBondContact O-N 3.03Å; L40-Q44 VanDerWaalsContact O-N 3.08Å; L41-Q44 PolarHBondContact O-N 3.5Å; L42-Q44 PolarHBondContact O-N 3.1Å; Q44-A51 HydrophobicContact CG-CB 4.34Å
45	E	61.5	Low	72.8	Confident	22 Å²	22	47.7 Å²	47.7	10%	0.103	24%	0.236	C	C	.	.	H	α-helix	trans	-71.1	-33.2	175.8	-61.7	-158.4	153.8	0	0	113.2	L41 L42 F43 I47 W148 R222	L41-E45 WeakPolarHBondContact O-CG 3.28Å; L41-E45 PolarHBondContact O-N 3.2Å; L42-E45 WeakPolarHBondContact O-CB 3.39Å; L42-E45 PolarHBondContact O-N 3.22Å; F43-E45 PolarHBondContact O-N 3.11Å; E45-I47 VanDerWaalsContact C-N 3.27Å; E45-I47 PolarHBondContact O-N 2.97Å; E45-W148 HydrophobicContact CG-CH2 3.67Å; E45-W148 HydrophobicContact CG-CZ3 4.2Å; E45-W148 WeakPolarHBondContact OE1-CH2 3.29Å; E45-W148 WeakPolarHBondContact OE1-CZ3 3.01Å; E45-R222 IonicContact OE2-CZ 3.47Å; E45-R222 IonicContact OE2-NH1 3.58Å; E45-R222 IonicContact OE2-NH2 2.72Å; E45-R222 PolarHBondContact OE2-NH2 2.95Å
46	D	57.7	Low	72.9	Confident	144 Å²	144	50 Å²	50	77%	0.77	25%	0.252	S	S	*	.	S	Bend	trans	-79.5	-7.8	-175.7	-67.3	-35.6	0	0	0	113.5
47	I	56.4	Low	73	Confident	56 Å²	56	59.8 Å²	59.8	29%	0.287	29%	0.289	S	S	.	.	S	Bend	trans	-116.6	117.7	-171	-55.3	178	0	0	0	111.1	F43 E45 Y52	F43-I47 HydrophobicContact CD1-CD1 4.06Å; F43-I47 HydrophobicContact CE1-CD1 3.39Å; F43-I47 HydrophobicContact CE2-CD1 4.43Å; F43-I47 HydrophobicContact CZ-CD1 3.62Å; E45-I47 VanDerWaalsContact C-N 3.27Å; E45-I47 PolarHBondContact O-N 2.97Å; I47-Y52 HydrophobicContact CG2-CD2 4.13Å; I47-Y52 HydrophobicContact CG2-CE2 4.4Å
48	K	55.3	Low	73.2	Confident	166 Å²	166	62.9 Å²	62.9	72%	0.722	30%	0.303	S	S	*	.			trans	-68.8	130.8	168.5	-70.1	-179.5	178.3	173.6	0	109.8
49	F	54.3	Low	73.4	Confident	154 Å²	154	66.7 Å²	66.7	68%	0.675	33%	0.328	S	S	*	.	S	Bend	trans	-38.2	140.5	-174.4	-138.2	-95.2	0	0	0	114.4
50	P	54.7	Low	72.9	Confident	45 Å²	45	67.1 Å²	67.1	29%	0.292	33%	0.331	S	S	.	.	S	Bend	cis	-82.3	150.7	8.1	31.7	-31.6	0	0	0	113.9	Y52	P50-Y52 HydrophobicContact CG-CE1 4.12Å; P50-Y52 HydrophobicContact CG-CE2 4.24Å; P50-Y52 WeakPolarHBondContact CG-OH 3.45Å; P50-Y52 WeakPolarHBondContact O-CD2 3.45Å; P50-Y52 WeakPolarHBondContact O-CE2 3.33Å
51	A	69.8	Low	71.8	Confident	9 Å²	9	72.5 Å²	72.5	7%	0.074	36%	0.359	C	S	.	.			trans	-68.9	139.9	174.3	0	0	0	0	0	110.3	Q44 C60	Q44-A51 HydrophobicContact CG-CB 4.34Å; A51-C60 PolarHBondContact O-N 3.04Å
52	Y	81.3	Confident	71.3	Confident	89 Å²	89	76.4 Å²	76.4	35%	0.349	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-119.7	153.9	178.8	-56.8	-82.4	0	0	0	111.1	I47 P50 R57 Q58 P59	I47-Y52 HydrophobicContact CG2-CD2 4.13Å; I47-Y52 HydrophobicContact CG2-CE2 4.4Å; P50-Y52 HydrophobicContact CG-CE1 4.12Å; P50-Y52 HydrophobicContact CG-CE2 4.24Å; P50-Y52 WeakPolarHBondContact CG-OH 3.45Å; P50-Y52 WeakPolarHBondContact O-CD2 3.45Å; P50-Y52 WeakPolarHBondContact O-CE2 3.33Å; Y52-R57 VanDerWaalsContact CD1-O 3.25Å; Y52-R57 WeakPolarHBondContact CD1-O 3.34Å; Y52-Q58 WeakPolarHBondContact CA-O 2.96Å; Y52-P59 HydrophobicContact CD1-CB 4.32Å; Y52-P59 HydrophobicContact CD1-CG 4.2Å; Y52-P59 HydrophobicContact CE1-CB 4.32Å; Y52-P59 HydrophobicContact CE1-CG 4.03Å
53	C	85.5	Confident	70.5	Confident	1 Å²	1	84.8 Å²	84.8	1%	0.007	41%	0.406	C	S	.	.			trans	-63.6	128.9	169.8	177	0	0	0	0	110.6	L29 C31 H33 T55 C56 R57 Q58	L29-C53 HydrophobicContact CD1-CB 3.84Å; C31-C53 PolarHBondContact SG-SG 2.96Å; H33-C53 PolarHBondContact ND1-SG 2.89Å; H33-C53 VanDerWaalsContact ND1-SG 3.42Å; C53-T55 PolarHBondContact O-N 3.38Å; C53-T55 PolarHBondContact SG-N 2.68Å; C53-T55 VanDerWaalsContact SG-N 3.39Å; C53-C56 VanDerWaalsContact CB-SG 3.52Å; C53-C56 PolarHBondContact SG-N 3.25Å; C53-R57 WeakPolarHBondContact O-CA 3.41Å; C53-R57 PolarHBondContact O-N 2.94Å; C53-Q58 PolarHBondContact N-O 3.45Å
54	P	85.9	Confident	70.3	Confident	30 Å²	30	85.4 Å²	85.4	20%	0.195	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-32.8	175.7	-18.4	21.8	0	0	0	113.8	I18 F35 L40 F43	I18-P54 HydrophobicContact CD1-CB 4.31Å; I18-P54 HydrophobicContact CD1-CG 3.88Å; I18-P54 HydrophobicContact CG1-CB 4.32Å; I18-P54 HydrophobicContact CG1-CG 4.42Å; F35-P54 HydrophobicContact CD1-CG 4.2Å; F35-P54 HydrophobicContact CE1-CB 3.86Å; F35-P54 HydrophobicContact CE1-CG 3.63Å; F35-P54 HydrophobicContact CE2-CG 4.32Å; F35-P54 HydrophobicContact CZ-CB 4.11Å; F35-P54 HydrophobicContact CZ-CG 3.71Å; L40-P54 HydrophobicContact CD1-CG 3.97Å; F43-P54 HydrophobicContact CD1-CB 4.08Å; F43-P54 HydrophobicContact CD1-CG 3.54Å; F43-P54 HydrophobicContact CD2-CB 4.24Å; F43-P54 HydrophobicContact CD2-CG 4.4Å; F43-P54 HydrophobicContact CE1-CB 3.86Å; F43-P54 HydrophobicContact CE1-CG 3.69Å; F43-P54 HydrophobicContact CE2-CB 4.06Å; F43-P54 HydrophobicContact CG-CB 4.25Å; F43-P54 HydrophobicContact CG-CG 3.91Å; F43-P54 HydrophobicContact CZ-CB 3.85Å; F43-P54 HydrophobicContact CZ-CG 4.21Å
55	T	88.1	Confident	70.3	Confident	69 Å²	69	88.6 Å²	88.6	42%	0.423	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-53.4	-174.6	-45.3	0	0	0	0	112.6	S17 F35 C53	S17-T55 PolarHBondContact OG-OG1 3.45Å; F35-T55 WeakPolarHBondContact CE1-OG1 3.31Å; F35-T55 WeakPolarHBondContact CZ-OG1 3.33Å; C53-T55 PolarHBondContact O-N 3.38Å; C53-T55 PolarHBondContact SG-N 2.68Å; C53-T55 VanDerWaalsContact SG-N 3.39Å
56	C	88.4	Confident	70.7	Confident	49 Å²	49	91.3 Å²	91.3	33%	0.331	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-1.6	-174.7	67.3	0	0	0	0	115.1	H33 C53 Q58	H33-C56 VanDerWaalsContact CE1-CB 3.5Å; H33-C56 WeakPolarHBondContact CE1-CB 3.4Å; H33-C56 PolarHBondContact ND1-SG 3.25Å; C53-C56 VanDerWaalsContact CB-SG 3.52Å; C53-C56 PolarHBondContact SG-N 3.25Å; C56-Q58 PolarHBondContact O-N 3.01Å
57	R	85.8	Confident	71.5	Confident	207 Å²	207	86 Å²	86	78%	0.781	41%	0.411	S	S	*	.			trans	58.2	15.4	-179.9	-54	-177.9	179.8	177.4	-0.5	115.3	Y52 C53	Y52-R57 VanDerWaalsContact CD1-O 3.25Å; Y52-R57 WeakPolarHBondContact CD1-O 3.34Å; C53-R57 WeakPolarHBondContact O-CA 3.41Å; C53-R57 PolarHBondContact O-N 2.94Å
58	Q	83.5	Confident	72.5	Confident	110 Å²	110	89 Å²	89	51%	0.514	43%	0.426	S	S	.	.			trans	-69.4	139.3	173.9	-72.9	-174.8	-31.1	0	0	111.1	Y52 C53 C56	Y52-Q58 WeakPolarHBondContact CA-O 2.96Å; C53-Q58 PolarHBondContact N-O 3.45Å; C56-Q58 PolarHBondContact O-N 3.01Å
59	P	79.7	Confident	73.7	Confident	95 Å²	95	84.3 Å²	84.3	62%	0.617	41%	0.414	S	S	*	.	B	Isolated β-bridge	trans	-61.2	136.7	176.2	-17	27.4	0	0	0	111.5	Y52	Y52-P59 HydrophobicContact CD1-CB 4.32Å; Y52-P59 HydrophobicContact CD1-CG 4.2Å; Y52-P59 HydrophobicContact CE1-CB 4.32Å; Y52-P59 HydrophobicContact CE1-CG 4.03Å
60	C	69.1	Low	75	Confident	13 Å²	13	77 Å²	77	9%	0.088	38%	0.382	C	S	.	.			trans	-133.8	106.8	-178.3	-166.3	0	0	0	0	111.5	A51 Q62	A51-C60 PolarHBondContact O-N 3.04Å; C60-Q62 PolarHBondContact O-N 3.22Å
61	N	58.6	Low	76.2	Confident	115 Å²	115	78 Å²	78	62%	0.615	38%	0.382	S	S	*	.			trans	-85.3	107.7	172.6	-69.8	-18.8	0	0	0	108.8
62	Q	61.2	Low	76.8	Confident	102 Å²	102	84.1 Å²	84.1	48%	0.477	41%	0.407	S	S	.	.	S	Bend	trans	-53.9	128	-160.4	-77.4	153.5	-35.1	0	0	117.3	C60	C60-Q62 PolarHBondContact O-N 3.22Å
63	R	57.9	Low	77	Confident	216 Å²	216	84 Å²	84	82%	0.815	41%	0.409	S	S	*	.				-155	106.2	128.7	-87.8	-174.8	-176	171.4	0.3	104.8
64	Y	70.3	Confident	76.9	Confident	81 Å²	81	84.3 Å²	84.3	32%	0.318	41%	0.411	S	S	.	.			trans	-76	151	172.3	49.4	-96.9	0	0	0	109.1	V27 E37 L41	V27-Y64 HydrophobicContact CB-CD2 4.21Å; V27-Y64 HydrophobicContact CB-CG 4.44Å; V27-Y64 HydrophobicContact CG1-CD2 3.75Å; V27-Y64 HydrophobicContact CG1-CE2 4.33Å; V27-Y64 HydrophobicContact CG1-CG 4.44Å; E37-Y64 HydrophobicContact CG-CE2 3.99Å; E37-Y64 WeakPolarHBondContact OE1-CE2 3.12Å; E37-Y64 PolarHBondContact OE1-OH 2.94Å; L41-Y64 HydrophobicContact CD2-CE1 4.4Å
65	I	70.9	Confident	76.7	Confident	88 Å²	88	87.6 Å²	87.6	45%	0.451	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	130.6	-177.3	-59.1	167.2	0	0	0	107.7	Y28 D67	Y28-I65 HydrophobicContact CD1-CB 4.28Å; Y28-I65 WeakPolarHBondContact CD1-O 3.36Å; Y28-I65 HydrophobicContact CE1-CB 3.55Å; Y28-I65 HydrophobicContact CE1-CG2 3.65Å; Y28-I65 HydrophobicContact CE2-CB 4.13Å; Y28-I65 HydrophobicContact CE2-CD1 3.93Å; Y28-I65 HydrophobicContact CE2-CG1 4.49Å; Y28-I65 VanDerWaalsContact CZ-CB 3.47Å; Y28-I65 PolarHBondContact N-O 2.58Å; Y28-I65 WeakPolarHBondContact OH-CB 3.33Å; Y28-I65 VanDerWaalsContact OH-CD1 3.26Å; Y28-I65 WeakPolarHBondContact OH-CD1 3.38Å; Y28-I65 VanDerWaalsContact OH-CG2 3.29Å; Y28-I65 WeakPolarHBondContact OH-CG2 3.47Å; I65-D67 PolarHBondContact O-N 3.22Å
66	N	70.6	Confident	76.6	Confident	79 Å²	79	89.4 Å²	89.4	42%	0.422	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	122.8	175.4	-71.4	-7.4	0	0	0	109.3	I68	N66-I68 PolarHBondContact O-N 3.45Å
67	D	75.1	Confident	76.5	Confident	33 Å²	33	87.7 Å²	87.7	18%	0.176	42%	0.417	C	S	.	.			trans	-91.8	89.3	175.5	-169.2	-22	0	0	0	109.4	P26 Y28 K34 I65 S69 L70 K71	P26-D67 PolarHBondContact O-N 2.65Å; Y28-D67 HydrophobicContact CD1-CB 4.07Å; Y28-D67 HydrophobicContact CE1-CB 4.32Å; K34-D67 IonicContact NZ-OD2 3.66Å; I65-D67 PolarHBondContact O-N 3.22Å; D67-S69 PolarHBondContact O-N 2.87Å; D67-S69 WeakPolarHBondContact OD1-CB 3.48Å; D67-S69 PolarHBondContact OD1-N 3.49Å; D67-S69 VanDerWaalsContact OD1-N 3.12Å; D67-L70 HydrophobicContact CB-CB 3.71Å; D67-L70 HydrophobicContact CB-CD2 4.39Å; D67-L70 PolarHBondContact O-N 3.26Å; D67-L70 PolarHBondContact OD1-N 2.89Å; D67-K71 PolarHBondContact O-N 3.06Å
68	I	76.3	Confident	76.6	Confident	117 Å²	117	78.7 Å²	78.7	60%	0.6	38%	0.383	S	S	*	.	H	α-helix	trans	-59.8	-33.3	179.3	-60.3	172.5	0	0	0	110.9	N66 K72	N66-I68 PolarHBondContact O-N 3.45Å; I68-K72 WeakPolarHBondContact O-CG 3.38Å; I68-K72 PolarHBondContact O-N 3.3Å; I68-K72 VanDerWaalsContact O-N 3.17Å
69	S	80.2	Confident	76.7	Confident	68 Å²	68	76.6 Å²	76.6	48%	0.476	37%	0.372	S	S	.	.	H	α-helix	trans	-67.1	-44.9	177.6	-175.9	0	0	0	0	110.6	D67 K72 Q73	D67-S69 PolarHBondContact O-N 2.87Å; D67-S69 WeakPolarHBondContact OD1-CB 3.48Å; D67-S69 PolarHBondContact OD1-N 3.49Å; D67-S69 VanDerWaalsContact OD1-N 3.12Å; S69-K72 WeakPolarHBondContact O-CB 3.35Å; S69-K72 PolarHBondContact O-N 3.19Å; S69-Q73 WeakPolarHBondContact O-CG 3.24Å; S69-Q73 PolarHBondContact O-N 2.81Å
70	L	81.4	Confident	77.1	Confident	2 Å²	2	76.2 Å²	76.2	1%	0.01	36%	0.361	C	S	.	.	H	α-helix	trans	-66.2	-38.6	178.4	-168.5	57.1	0	0	0	112.3	L14 F23 P26 K34 D67 K72 Q73 V74	L14-L70 HydrophobicContact CD2-CD1 3.21Å; L14-L70 HydrophobicContact CD2-CG 4.5Å; F23-L70 HydrophobicContact CD2-CD1 4.36Å; F23-L70 HydrophobicContact CD2-CD2 4.04Å; F23-L70 HydrophobicContact CD2-CG 4.2Å; F23-L70 HydrophobicContact CE2-CD2 4.01Å; P26-L70 HydrophobicContact CB-CB 4.19Å; P26-L70 HydrophobicContact CB-CD2 3.4Å; P26-L70 HydrophobicContact CB-CG 3.66Å; P26-L70 HydrophobicContact CG-CB 3.87Å; P26-L70 HydrophobicContact CG-CD2 4.01Å; P26-L70 HydrophobicContact CG-CG 3.69Å; K34-L70 HydrophobicContact CB-CD2 4.37Å; K34-L70 HydrophobicContact CD-CD2 3.57Å; K34-L70 HydrophobicContact CG-CD2 4.04Å; D67-L70 HydrophobicContact CB-CB 3.71Å; D67-L70 HydrophobicContact CB-CD2 4.39Å; D67-L70 PolarHBondContact O-N 3.26Å; D67-L70 PolarHBondContact OD1-N 2.89Å; L70-K72 VanDerWaalsContact C-N 3.3Å; L70-K72 PolarHBondContact O-N 2.86Å; L70-Q73 PolarHBondContact O-N 3.36Å; L70-V74 WeakPolarHBondContact O-CB 3.48Å; L70-V74 VanDerWaalsContact O-CG2 3.25Å; L70-V74 WeakPolarHBondContact O-CG2 3.49Å; L70-V74 PolarHBondContact O-N 3.22Å
71	K	80.6	Confident	78	Confident	66 Å²	66	80.3 Å²	80.3	29%	0.287	37%	0.374	S	S	.	.	H	α-helix	trans	-54.5	-45.3	170	-80.5	-175.3	-179.2	-164.6	0	112.2	D25 P26 D67 F75	D25-K71 WeakPolarHBondContact OD1-CE 3.42Å; D25-K71 IonicContact OD1-NZ 3.65Å; D25-K71 PolarHBondContact OD1-NZ 3.35Å; D25-K71 IonicContact OD2-NZ 3.89Å; D25-K71 PolarHBondContact OD2-NZ 2.87Å; P26-K71 HydrophobicContact CG-CG 3.83Å; D67-K71 PolarHBondContact O-N 3.06Å; K71-F75 WeakPolarHBondContact O-CB 3.2Å; K71-F75 PolarHBondContact O-N 3.36Å
72	K	82.5	Confident	79.4	Confident	137 Å²	137	75 Å²	75	60%	0.596	35%	0.346	S	S	*	.	H	α-helix	trans	-64.8	-42.6	177.5	-71.3	175.3	179.6	-176.4	0	111.6	I68 S69 L70 F75 I76	I68-K72 WeakPolarHBondContact O-CG 3.38Å; I68-K72 PolarHBondContact O-N 3.3Å; I68-K72 VanDerWaalsContact O-N 3.17Å; S69-K72 WeakPolarHBondContact O-CB 3.35Å; S69-K72 PolarHBondContact O-N 3.19Å; L70-K72 VanDerWaalsContact C-N 3.3Å; L70-K72 PolarHBondContact O-N 2.86Å; K72-F75 PolarHBondContact O-N 3.05Å; K72-I76 WeakPolarHBondContact O-CD1 3.42Å; K72-I76 VanDerWaalsContact O-CG1 3.24Å; K72-I76 WeakPolarHBondContact O-CG1 3.38Å; K72-I76 PolarHBondContact O-N 3.46Å
73	Q	84.8	Confident	80.8	Confident	85 Å²	85	72.6 Å²	72.6	40%	0.397	34%	0.335	S	S	.	.	H	α-helix	trans	-63.5	-45.2	178.4	-69.8	173.7	17.8	0	0	112.1	L14 S69 L70 F75 I76 V77	L14-Q73 HydrophobicContact CD1-CB 4.35Å; L14-Q73 HydrophobicContact CD2-CB 4.02Å; S69-Q73 WeakPolarHBondContact O-CG 3.24Å; S69-Q73 PolarHBondContact O-N 2.81Å; L70-Q73 PolarHBondContact O-N 3.36Å; Q73-F75 VanDerWaalsContact C-N 3.32Å; Q73-F75 PolarHBondContact O-N 3.4Å; Q73-I76 PolarHBondContact O-N 3.09Å; Q73-V77 PolarHBondContact O-N 2.88Å
74	V	84.2	Confident	82.3	Confident	8 Å²	8	67.2 Å²	67.2	5%	0.048	32%	0.319	C	S	.	.	H	α-helix	trans	-54.7	-48.6	172.4	161.3	0	0	0	0	111.4	I22 F23 L70 I76 V77 R78	I22-V74 HydrophobicContact CG2-CB 4.41Å; I22-V74 HydrophobicContact CG2-CG1 3.88Å; I22-V74 HydrophobicContact CG2-CG2 4.18Å; F23-V74 HydrophobicContact CB-CG2 3.74Å; F23-V74 HydrophobicContact CD2-CG2 4.4Å; F23-V74 WeakPolarHBondContact O-CG1 3.32Å; L70-V74 WeakPolarHBondContact O-CB 3.48Å; L70-V74 VanDerWaalsContact O-CG2 3.25Å; L70-V74 WeakPolarHBondContact O-CG2 3.49Å; L70-V74 PolarHBondContact O-N 3.22Å; V74-I76 VanDerWaalsContact C-N 3.33Å; V74-I76 PolarHBondContact O-N 3.31Å; V74-V77 PolarHBondContact O-N 2.95Å; V74-R78 WeakPolarHBondContact O-CG 3.07Å; V74-R78 PolarHBondContact O-N 3.38Å
75	F	82.6	Confident	83.1	Confident	99 Å²	99	67 Å²	67	43%	0.434	32%	0.319	S	S	.	.	H	α-helix	trans	-61.2	-44	179.5	178.7	-95	0	0	0	111.4	K71 K72 Q73 V77 R78 K79	K71-F75 WeakPolarHBondContact O-CB 3.2Å; K71-F75 PolarHBondContact O-N 3.36Å; K72-F75 PolarHBondContact O-N 3.05Å; Q73-F75 VanDerWaalsContact C-N 3.32Å; Q73-F75 PolarHBondContact O-N 3.4Å; F75-V77 PolarHBondContact O-N 3.49Å; F75-R78 PolarHBondContact O-N 2.96Å; F75-K79 HydrophobicContact CE1-CD 3.95Å; F75-K79 HydrophobicContact CZ-CD 4.26Å; F75-K79 WeakPolarHBondContact O-CB 3.26Å; F75-K79 PolarHBondContact O-N 3.03Å
76	I	84.9	Confident	83.9	Confident	107 Å²	107	62.9 Å²	62.9	55%	0.549	30%	0.297	S	S	.	.	H	α-helix	trans	-59.3	-47.1	176.8	-70.3	163.1	0	0	0	110.8	K72 Q73 V74 K79 K80	K72-I76 WeakPolarHBondContact O-CD1 3.42Å; K72-I76 VanDerWaalsContact O-CG1 3.24Å; K72-I76 WeakPolarHBondContact O-CG1 3.38Å; K72-I76 PolarHBondContact O-N 3.46Å; Q73-I76 PolarHBondContact O-N 3.09Å; V74-I76 VanDerWaalsContact C-N 3.33Å; V74-I76 PolarHBondContact O-N 3.31Å; I76-K79 PolarHBondContact O-N 3.45Å; I76-K80 WeakPolarHBondContact O-CB 3.33Å; I76-K80 PolarHBondContact O-N 3.34Å
77	V	86.8	Confident	84.7	Confident	13 Å²	13	62.4 Å²	62.4	8%	0.079	30%	0.295	C	S	.	.	H	α-helix	trans	-64.8	-47.6	-179.9	165.6	0	0	0	0	111.8	E11 L14 I22 Q73 V74 F75 K79 K80 R81	E11-V77 HydrophobicContact CG-CG1 3.83Å; E11-V77 HydrophobicContact CG-CG2 4.44Å; E11-V77 WeakPolarHBondContact OE1-CG1 3.31Å; L14-V77 HydrophobicContact CD1-CB 4.14Å; L14-V77 HydrophobicContact CD1-CG2 3.49Å; L14-V77 VanDerWaalsContact CD1-CG2 3.49Å; I22-V77 HydrophobicContact CD1-CG1 4.1Å; Q73-V77 PolarHBondContact O-N 2.88Å; V74-V77 PolarHBondContact O-N 2.95Å; F75-V77 PolarHBondContact O-N 3.49Å; V77-K79 VanDerWaalsContact C-N 3.28Å; V77-K79 PolarHBondContact O-N 3.33Å; V77-K80 WeakPolarHBondContact O-CB 3.27Å; V77-K80 PolarHBondContact O-N 3.08Å; V77-R81 PolarHBondContact O-N 3.33Å
78	R	86.6	Confident	85.3	Confident	19 Å²	19	62.9 Å²	62.9	7%	0.072	30%	0.301	C	S	.	.	H	α-helix	trans	-62.7	-37.1	177.3	-68.6	-177.5	173.6	-144.3	0.9	111.8	I22 M24 V74 F75 L82 S236 Y240	I22-R78 HydrophobicContact CD1-CG 4.28Å; I22-R78 HydrophobicContact CG2-CG 4.26Å; I22-R78 PolarHBondContact O-NH2 3.4Å; M24-R78 PolarHBondContact SD-NH1 2.69Å; M24-R78 PolarHBondContact SD-NH2 3.31Å; V74-R78 WeakPolarHBondContact O-CG 3.07Å; V74-R78 PolarHBondContact O-N 3.38Å; F75-R78 PolarHBondContact O-N 2.96Å; R78-L82 PolarHBondContact O-N 3.42Å; R78-L82 VanDerWaalsContact O-N 3.09Å; R78-S236 PolarHBondContact NH1-O 3.17Å; R78-S236 PolarHBondContact NH2-O 3.12Å; R78-Y240 HydrophobicContact CB-CD2 4.2Å; R78-Y240 HydrophobicContact CB-CE1 4.07Å; R78-Y240 HydrophobicContact CB-CE2 3.45Å; R78-Y240 VanDerWaalsContact CB-CE2 3.45Å; R78-Y240 WeakPolarHBondContact CB-OH 3.36Å; R78-Y240 WeakPolarHBondContact CD-OH 3.3Å
79	K	86	Confident	85.7	Confident	65 Å²	65	63.9 Å²	63.9	28%	0.283	30%	0.303	S	S	.	.	H	α-helix	trans	-67.2	-41.3	174	-176.9	167.4	179.5	139.6	0	112.2	F75 I76 V77 L82 M83 D130	F75-K79 HydrophobicContact CE1-CD 3.95Å; F75-K79 HydrophobicContact CZ-CD 4.26Å; F75-K79 WeakPolarHBondContact O-CB 3.26Å; F75-K79 PolarHBondContact O-N 3.03Å; I76-K79 PolarHBondContact O-N 3.45Å; V77-K79 VanDerWaalsContact C-N 3.28Å; V77-K79 PolarHBondContact O-N 3.33Å; K79-L82 WeakPolarHBondContact O-CB 3.38Å; K79-L82 PolarHBondContact O-N 2.99Å; K79-M83 HydrophobicContact CG-CG 4.46Å; K79-M83 WeakPolarHBondContact O-CG 3.37Å; K79-M83 PolarHBondContact O-N 3.46Å; K79-D130 WeakPolarHBondContact CE-OD1 3.32Å; K79-D130 IonicContact NZ-OD1 2.78Å; K79-D130 PolarHBondContact NZ-OD1 3.04Å; K79-D130 IonicContact NZ-OD2 3.89Å; K79-D130 PolarHBondContact NZ-OD2 2.96Å
80	K	88.5	Confident	85.8	Confident	88 Å²	88	68.4 Å²	68.4	38%	0.383	32%	0.316	S	S	.	.	H	α-helix	trans	-57.6	-49.9	175	-179.7	-176.3	170.5	-171.6	0	110.7	D8 I76 V77 L82 M83 E84	D8-K80 IonicContact OD2-NZ 3.95Å; D8-K80 PolarHBondContact OD2-NZ 3.45Å; I76-K80 WeakPolarHBondContact O-CB 3.33Å; I76-K80 PolarHBondContact O-N 3.34Å; V77-K80 WeakPolarHBondContact O-CB 3.27Å; V77-K80 PolarHBondContact O-N 3.08Å; K80-L82 VanDerWaalsContact C-N 3.31Å; K80-L82 PolarHBondContact O-N 3.49Å; K80-M83 PolarHBondContact O-N 3.22Å; K80-E84 WeakPolarHBondContact CE-OE1 3.24Å; K80-E84 WeakPolarHBondContact O-CG 3.33Å; K80-E84 PolarHBondContact O-N 3.27Å
81	R	88.6	Confident	86	Confident	99 Å²	99	70.6 Å²	70.6	37%	0.374	33%	0.327	S	S	.	.	H	α-helix	trans	-58.2	-41.5	176.3	-70.3	179	176.6	-158.9	-3.2	112.8	E11 V77 E84 Y85	E11-R81 IonicContact OE1-CZ 3.38Å; E11-R81 IonicContact OE1-NE 3.55Å; E11-R81 PolarHBondContact OE1-NE 3.24Å; E11-R81 IonicContact OE1-NH2 3.98Å; E11-R81 PolarHBondContact OE1-NH2 3.47Å; E11-R81 IonicContact OE2-CZ 3.53Å; E11-R81 IonicContact OE2-NE 3.61Å; E11-R81 IonicContact OE2-NH2 2.62Å; E11-R81 PolarHBondContact OE2-NH2 3.39Å; V77-R81 PolarHBondContact O-N 3.33Å; R81-E84 PolarHBondContact O-N 3.38Å; R81-Y85 PolarHBondContact O-N 3.19Å
82	L	88.3	Confident	86.4	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-62.8	-44.1	174.2	177.5	61.6	0	0	0	111.5	R78 K79 K80 Y85 L86 I129 V133 Y240 Q241	R78-L82 PolarHBondContact O-N 3.42Å; R78-L82 VanDerWaalsContact O-N 3.09Å; K79-L82 WeakPolarHBondContact O-CB 3.38Å; K79-L82 PolarHBondContact O-N 2.99Å; K80-L82 VanDerWaalsContact C-N 3.31Å; K80-L82 PolarHBondContact O-N 3.49Å; L82-Y85 WeakPolarHBondContact O-CB 3.46Å; L82-Y85 PolarHBondContact O-N 3.01Å; L82-L86 HydrophobicContact CD1-CD1 4.16Å; L82-L86 HydrophobicContact CD1-CG 4.25Å; L82-L86 HydrophobicContact CG-CD1 4.02Å; L82-L86 VanDerWaalsContact O-CG 3.27Å; L82-L86 WeakPolarHBondContact O-CG 3.41Å; L82-L86 PolarHBondContact O-N 3.12Å; L82-I129 HydrophobicContact CD1-CD1 3.79Å; L82-I129 HydrophobicContact CD2-CD1 3.89Å; L82-I129 HydrophobicContact CD2-CG1 4.16Å; L82-I129 HydrophobicContact CD2-CG2 4.47Å; L82-I129 HydrophobicContact CG-CD1 4.21Å; L82-V133 HydrophobicContact CD2-CG2 4.37Å; L82-Y240 HydrophobicContact CB-CD2 4.29Å; L82-Y240 HydrophobicContact CD2-CD2 3.98Å; L82-Q241 HydrophobicContact CD1-CB 4.04Å
83	M	89.1	Confident	86.9	Confident	53 Å²	53	63.6 Å²	63.6	26%	0.261	30%	0.297	S	S	.	.	H	α-helix	trans	-65.7	-39.2	178.3	-67.9	-54.5	-61.6	0	0	112.1	K79 K80 L86 N87 M101	K79-M83 HydrophobicContact CG-CG 4.46Å; K79-M83 WeakPolarHBondContact O-CG 3.37Å; K79-M83 PolarHBondContact O-N 3.46Å; K80-M83 PolarHBondContact O-N 3.22Å; M83-L86 PolarHBondContact O-N 3.29Å; M83-L86 HydrophobicContact SD-CD1 4.35Å; M83-N87 VanDerWaalsContact O-CB 3.28Å; M83-N87 WeakPolarHBondContact O-CB 3.41Å; M83-N87 PolarHBondContact O-N 2.7Å; M83-N87 PolarHBondContact O-ND2 3.03Å; M83-N87 PolarHBondContact O-OD1 3.23Å; M83-M101 HydrophobicContact CE-CE 4.18Å; M83-M101 HydrophobicContact CE-SD 4.47Å; M83-M101 HydrophobicContact SD-CE 3.98Å
84	E	89.6	Confident	87.1	Confident	102 Å²	102	65 Å²	65	48%	0.477	31%	0.311	S	S	.	.	H	α-helix	trans	-58.9	-46.6	173.3	-73.3	165.7	175.5	0	0	111.1	K80 R81 L86 N87 S88	K80-E84 WeakPolarHBondContact CE-OE1 3.24Å; K80-E84 WeakPolarHBondContact O-CG 3.33Å; K80-E84 PolarHBondContact O-N 3.27Å; R81-E84 PolarHBondContact O-N 3.38Å; E84-L86 PolarHBondContact O-N 3.17Å; E84-N87 PolarHBondContact O-N 2.74Å; E84-S88 PolarHBondContact O-N 3.32Å
85	Y	88	Confident	87.4	Confident	78 Å²	78	70.1 Å²	70.1	31%	0.306	34%	0.342	S	S	.	.	H	α-helix	trans	-56.3	-51.1	173	174.5	-93	0	0	0	111.9	R81 L82 N87 S88 H91 Q241	R81-Y85 PolarHBondContact O-N 3.19Å; L82-Y85 WeakPolarHBondContact O-CB 3.46Å; L82-Y85 PolarHBondContact O-N 3.01Å; Y85-N87 PolarHBondContact O-N 3.39Å; Y85-S88 WeakPolarHBondContact O-CB 3.4Å; Y85-S88 PolarHBondContact O-N 2.95Å; Y85-H91 AromaticContact CD2-CD2 3.52Å; Y85-H91 AromaticContact CD2-NE2 3.62Å; Y85-H91 HydrophobicContact CE1-CB 4.42Å; Y85-H91 AromaticContact CE1-CD2 3.99Å; Y85-H91 AromaticContact CE2-CD2 3.26Å; Y85-H91 WeakPolarHBondContact CE2-CD2 3.48Å; Y85-H91 AromaticContact CE2-CE1 3.72Å; Y85-H91 AromaticContact CE2-CG 3.98Å; Y85-H91 AromaticContact CE2-NE2 3.07Å; Y85-H91 WeakPolarHBondContact CE2-NE2 3.12Å; Y85-H91 AromaticContact CG-CD2 3.98Å; Y85-H91 AromaticContact CZ-CD2 3.5Å; Y85-H91 VanDerWaalsContact CZ-CD2 3.5Å; Y85-H91 AromaticContact CZ-CE1 3.85Å; Y85-H91 AromaticContact CZ-CG 3.72Å; Y85-H91 AromaticContact CZ-ND1 3.93Å; Y85-H91 AromaticContact CZ-NE2 3.58Å; Y85-H91 PolarHBondContact O-CD2 3.2Å; Y85-H91 VanDerWaalsContact O-CD2 3.27Å; Y85-Q241 HydrophobicContact CD1-CB 3.97Å; Y85-Q241 HydrophobicContact CD1-CG 3.82Å; Y85-Q241 HydrophobicContact CD2-CG 4.06Å; Y85-Q241 HydrophobicContact CE1-CB 3.77Å; Y85-Q241 HydrophobicContact CE1-CG 3.73Å; Y85-Q241 HydrophobicContact CE2-CG 3.95Å; Y85-Q241 HydrophobicContact CG-CG 4Å
86	L	87.3	Confident	87.8	Confident	1 Å²	1	69 Å²	69	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-69	-19.3	-178.4	-64	171.4	0	0	0	114.1	L82 M83 E84 M101 L110 I129	L82-L86 HydrophobicContact CD1-CD1 4.16Å; L82-L86 HydrophobicContact CD1-CG 4.25Å; L82-L86 HydrophobicContact CG-CD1 4.02Å; L82-L86 VanDerWaalsContact O-CG 3.27Å; L82-L86 WeakPolarHBondContact O-CG 3.41Å; L82-L86 PolarHBondContact O-N 3.12Å; M83-L86 PolarHBondContact O-N 3.29Å; M83-L86 HydrophobicContact SD-CD1 4.35Å; E84-L86 PolarHBondContact O-N 3.17Å; L86-M101 HydrophobicContact CD1-CE 4.1Å; L86-M101 HydrophobicContact CD1-SD 3.65Å; L86-L110 HydrophobicContact CD2-CD1 3.92Å; L86-I129 HydrophobicContact CD1-CD1 3.91Å; L86-I129 HydrophobicContact CD1-CG2 4.44Å; L86-I129 HydrophobicContact CD2-CD1 4.31Å
87	N	86.6	Confident	88.1	Confident	69 Å²	69	70.9 Å²	70.9	37%	0.369	34%	0.343	S	S	.	.	H	α-helix	trans	-84.4	-17.6	178.3	-70.5	-24	0	0	0	112.9	M83 E84 Y85 K99	M83-N87 VanDerWaalsContact O-CB 3.28Å; M83-N87 WeakPolarHBondContact O-CB 3.41Å; M83-N87 PolarHBondContact O-N 2.7Å; M83-N87 PolarHBondContact O-ND2 3.03Å; M83-N87 PolarHBondContact O-OD1 3.23Å; E84-N87 PolarHBondContact O-N 2.74Å; Y85-N87 PolarHBondContact O-N 3.39Å; N87-K99 WeakPolarHBondContact OD1-CD 3.32Å; N87-K99 WeakPolarHBondContact OD1-CE 3.35Å; N87-K99 PolarHBondContact OD1-NZ 3.01Å
88	S	88.8	Confident	88.3	Confident	43 Å²	43	72 Å²	72	30%	0.301	35%	0.354	S	S	.	.	S	Bend	trans	-59	137.9	175.3	179.6	0	0	0	0	111.4	E84 Y85 E90 H91	E84-S88 PolarHBondContact O-N 3.32Å; Y85-S88 WeakPolarHBondContact O-CB 3.4Å; Y85-S88 PolarHBondContact O-N 2.95Å; S88-E90 PolarHBondContact O-N 3.46Å; S88-E90 PolarHBondContact OG-N 3.42Å; S88-H91 PolarHBondContact O-N 2.9Å
89	E	83.9	Confident	88.5	Confident	137 Å²	137	75.4 Å²	75.4	64%	0.64	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-58.1	-31.6	177	-67.6	-59	152.5	0	0	112.2	H91 K92	E89-H91 PolarHBondContact O-N 2.95Å; E89-K92 PolarHBondContact O-N 3.29Å; E89-K92 IonicContact OE1-NZ 2.94Å; E89-K92 PolarHBondContact OE1-NZ 3.49Å; E89-K92 WeakPolarHBondContact OE2-CD 3.48Å; E89-K92 WeakPolarHBondContact OE2-CE 3.4Å; E89-K92 IonicContact OE2-NZ 2.76Å; E89-K92 PolarHBondContact OE2-NZ 3.31Å
90	E	83.3	Confident	88.8	Confident	163 Å²	163	75.4 Å²	75.4	76%	0.762	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-64.6	-21.1	178.2	-62.6	-176.8	168.7	0	0	113.2	S88	S88-E90 PolarHBondContact O-N 3.46Å; S88-E90 PolarHBondContact OG-N 3.42Å
91	H	84.7	Confident	89	Confident	49 Å²	49	73.3 Å²	73.3	23%	0.227	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-112.4	4.3	-173.1	-59.8	-36	0	0	0	113.5	Y85 S88 E89 K100	Y85-H91 AromaticContact CD2-CD2 3.52Å; Y85-H91 AromaticContact CD2-NE2 3.62Å; Y85-H91 HydrophobicContact CE1-CB 4.42Å; Y85-H91 AromaticContact CE1-CD2 3.99Å; Y85-H91 AromaticContact CE2-CD2 3.26Å; Y85-H91 WeakPolarHBondContact CE2-CD2 3.48Å; Y85-H91 AromaticContact CE2-CE1 3.72Å; Y85-H91 AromaticContact CE2-CG 3.98Å; Y85-H91 AromaticContact CE2-NE2 3.07Å; Y85-H91 WeakPolarHBondContact CE2-NE2 3.12Å; Y85-H91 AromaticContact CG-CD2 3.98Å; Y85-H91 AromaticContact CZ-CD2 3.5Å; Y85-H91 VanDerWaalsContact CZ-CD2 3.5Å; Y85-H91 AromaticContact CZ-CE1 3.85Å; Y85-H91 AromaticContact CZ-CG 3.72Å; Y85-H91 AromaticContact CZ-ND1 3.93Å; Y85-H91 AromaticContact CZ-NE2 3.58Å; Y85-H91 PolarHBondContact O-CD2 3.2Å; Y85-H91 VanDerWaalsContact O-CD2 3.27Å; S88-H91 PolarHBondContact O-N 2.9Å; E89-H91 PolarHBondContact O-N 2.95Å; H91-K100 WeakPolarHBondContact O-CD 3.31Å
92	K	90.2	Very high	89.3	Confident	47 Å²	47	69.4 Å²	69.4	20%	0.204	35%	0.348	C	S	.	.	S	Bend	trans	-73.1	157	169.9	-65.7	-175.8	-170.6	170.3	0	111.5	E89 V94	E89-K92 PolarHBondContact O-N 3.29Å; E89-K92 IonicContact OE1-NZ 2.94Å; E89-K92 PolarHBondContact OE1-NZ 3.49Å; E89-K92 WeakPolarHBondContact OE2-CD 3.48Å; E89-K92 WeakPolarHBondContact OE2-CE 3.4Å; E89-K92 IonicContact OE2-NZ 2.76Å; E89-K92 PolarHBondContact OE2-NZ 3.31Å; K92-V94 PolarHBondContact O-N 3.46Å
93	C	91.6	Very high	89.6	Confident	8 Å²	8	69.9 Å²	69.9	5%	0.054	35%	0.349	C	S	.	.			trans	-60.5	128.3	171.2	177.9	0	0	0	0	109.9	T95 H96 K97 A98 C112 C115	C93-T95 VanDerWaalsContact C-N 3.32Å; C93-T95 PolarHBondContact O-N 2.93Å; C93-H96 HydrophobicContact CB-CB 4.26Å; C93-H96 PolarHBondContact SG-N 2.93Å; C93-H96 VanDerWaalsContact SG-N 3.4Å; C93-H96 PolarHBondContact SG-ND1 2.95Å; C93-K97 WeakPolarHBondContact O-CA 3.3Å; C93-K97 PolarHBondContact O-N 3.38Å; C93-A98 WeakPolarHBondContact CB-O 3.33Å; C93-A98 PolarHBondContact N-O 3.23Å; C93-C112 HydrophobicContact CB-CB 4.03Å; C93-C112 VanDerWaalsContact SG-SG 3.69Å; C93-C115 VanDerWaalsContact SG-SG 3.63Å
94	V	90.1	Very high	89.8	Confident	116 Å²	116	67.3 Å²	67.3	70%	0.703	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-44	-178.2	179.4	0	0	0	0	111.1	K92 K97	K92-V94 PolarHBondContact O-N 3.46Å; V94-K97 WeakPolarHBondContact O-CE 3.45Å; V94-K97 PolarHBondContact O-NZ 3.5Å
95	T	90.1	Very high	89.8	Confident	114 Å²	114	66.2 Å²	66.2	70%	0.699	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-49.5	-176.4	-43.5	0	0	0	0	112.5	C93	C93-T95 VanDerWaalsContact C-N 3.32Å; C93-T95 PolarHBondContact O-N 2.93Å
96	H	91.5	Very high	89.8	Confident	77 Å²	77	69.6 Å²	69.6	36%	0.356	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-6.5	-169.9	-57.3	116.1	0	0	0	114.1	C93 A98 C112 L114 C115	C93-H96 HydrophobicContact CB-CB 4.26Å; C93-H96 PolarHBondContact SG-N 2.93Å; C93-H96 VanDerWaalsContact SG-N 3.4Å; C93-H96 PolarHBondContact SG-ND1 2.95Å; H96-A98 HydrophobicContact CB-CB 4.3Å; H96-A98 PolarHBondContact O-N 3.02Å; H96-C112 PolarHBondContact ND1-SG 3.43Å; H96-C112 VanDerWaalsContact ND1-SG 3.44Å; H96-L114 HydrophobicContact CB-CD1 4.09Å; H96-L114 VanDerWaalsContact CD2-CD1 3.43Å; H96-L114 WeakPolarHBondContact CD2-CD1 3.4Å; H96-C115 PolarHBondContact ND1-SG 2.86Å; H96-C115 VanDerWaalsContact ND1-SG 3.44Å
97	K	90.2	Very high	89.9	Confident	145 Å²	145	71.9 Å²	71.9	63%	0.63	37%	0.366	S	S	*	.			trans	52.4	20.8	-174.7	-53.5	-54.8	-172.7	-164.1	0	114.3	C93 V94	C93-K97 WeakPolarHBondContact O-CA 3.3Å; C93-K97 PolarHBondContact O-N 3.38Å; V94-K97 WeakPolarHBondContact O-CE 3.45Å; V94-K97 PolarHBondContact O-NZ 3.5Å
98	A	90.9	Very high	90.1	Very high	38 Å²	38	71 Å²	71	31%	0.314	36%	0.359	S	S	.	.			trans	-99.8	155.2	-179	0	0	0	0	0	111.7	C93 H96 C112	C93-A98 WeakPolarHBondContact CB-O 3.33Å; C93-A98 PolarHBondContact N-O 3.23Å; H96-A98 HydrophobicContact CB-CB 4.3Å; H96-A98 PolarHBondContact O-N 3.02Å; A98-C112 HydrophobicContact CB-CB 3.94Å
99	K	91.3	Very high	90.2	Very high	90 Å²	90	72.5 Å²	72.5	39%	0.391	36%	0.363	S	S	.	.			trans	-65.2	144.4	175.9	-57.7	-178.6	-168.6	-177.8	0	111	N87 M101 C112	N87-K99 WeakPolarHBondContact OD1-CD 3.32Å; N87-K99 WeakPolarHBondContact OD1-CE 3.35Å; N87-K99 PolarHBondContact OD1-NZ 3.01Å; K99-M101 HydrophobicContact CB-CG 4Å; K99-M101 HydrophobicContact CB-SD 4.1Å; K99-M101 PolarHBondContact O-N 3.08Å; K99-C112 WeakPolarHBondContact O-CA 3.47Å; K99-C112 WeakPolarHBondContact O-CB 3.49Å
100	K	92.8	Very high	90.7	Very high	65 Å²	65	66.9 Å²	66.9	28%	0.283	34%	0.337	S	S	.	.			trans	-91	75.8	-179.6	-64.1	174.4	177.5	179.8	0	111.3	H91 L110 L111	H91-K100 WeakPolarHBondContact O-CD 3.31Å; K100-L110 HydrophobicContact CB-CB 3.77Å; K100-L110 HydrophobicContact CD-CB 4.46Å; K100-L110 WeakPolarHBondContact CD-O 3.45Å; K100-L111 CarbonylContact C-O 3.59Å; K100-L111 WeakPolarHBondContact CA-O 3.46Å
101	M	92.4	Very high	91.2	Very high	43 Å²	43	59.7 Å²	59.7	21%	0.212	30%	0.304	C	S	.	.			trans	-89.7	-5	-173.8	-59.9	-57.2	-59	0	0	114.6	M83 L86 K99 L111 I129	M83-M101 HydrophobicContact CE-CE 4.18Å; M83-M101 HydrophobicContact CE-SD 4.47Å; M83-M101 HydrophobicContact SD-CE 3.98Å; L86-M101 HydrophobicContact CD1-CE 4.1Å; L86-M101 HydrophobicContact CD1-SD 3.65Å; K99-M101 HydrophobicContact CB-CG 4Å; K99-M101 HydrophobicContact CB-SD 4.1Å; K99-M101 PolarHBondContact O-N 3.08Å; M101-L111 PolarHBondContact N-O 3.41Å; M101-L111 VanDerWaalsContact N-O 3.11Å; M101-I129 HydrophobicContact CE-CG2 3.85Å; M101-I129 PolarHBondContact O-N 3.27Å
102	I	94	Very high	91.6	Very high	18 Å²	18	57.4 Å²	57.4	9%	0.092	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.2	-176.9	-59.2	-57	0	0	0	109.4	L110 L111 H126 C127	I102-L110 CarbonylContact O-C 3.13Å; I102-L110 WeakPolarHBondContact O-CA 3.33Å; I102-L111 HydrophobicContact CB-CB 4.34Å; I102-L111 WeakPolarHBondContact CB-O 3.28Å; I102-L111 PolarHBondContact N-O 2.99Å; I102-L111 PolarHBondContact O-N 2.86Å; I102-H126 HydrophobicContact CG2-CB 3.72Å; I102-C127 WeakPolarHBondContact CA-O 3.2Å
103	F	95.2	Very high	91.7	Very high	11 Å²	11	60.9 Å²	60.9	5%	0.048	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	132.3	173.9	178.3	-108.3	0	0	0	110.2	D105 K108 L110 H126 C127 A132 L244	F103-D105 HydrophobicContact CE1-CB 4.17Å; F103-K108 HydrophobicContact CZ-CD 3.91Å; F103-L110 HydrophobicContact CB-CD2 4.13Å; F103-L110 HydrophobicContact CD2-CD2 4.02Å; F103-H126 VanDerWaalsContact O-CA 3.31Å; F103-H126 WeakPolarHBondContact O-CA 3.36Å; F103-C127 PolarHBondContact N-O 2.86Å; F103-C127 PolarHBondContact O-N 3.16Å; F103-C127 VanDerWaalsContact O-N 3.16Å; F103-A132 HydrophobicContact CB-CB 3.79Å; F103-A132 HydrophobicContact CD1-CB 3.67Å; F103-A132 HydrophobicContact CE1-CB 4.45Å; F103-A132 HydrophobicContact CG-CB 3.85Å; F103-L244 HydrophobicContact CD2-CB 4.26Å; F103-L244 HydrophobicContact CD2-CD1 4.34Å; F103-L244 HydrophobicContact CE2-CB 3.94Å; F103-L244 WeakPolarHBondContact CE2-O 3.37Å; F103-L244 WeakPolarHBondContact CZ-O 3.42Å
104	C	94.2	Very high	91.8	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	112.5	172.4	174.7	0	0	0	0	110	K106 S107 K108 I109 L111 H124	C104-K106 PolarHBondContact O-N 3.27Å; C104-S107 PolarHBondContact O-N 3.05Å; C104-S107 PolarHBondContact SG-OG 3.18Å; C104-K108 WeakPolarHBondContact O-CA 3.25Å; C104-K108 PolarHBondContact O-N 3.09Å; C104-I109 HydrophobicContact CB-CG1 4.43Å; C104-I109 PolarHBondContact N-O 3.44Å; C104-L111 HydrophobicContact CB-CD1 3.83Å; C104-L111 HydrophobicContact CB-CG 4.34Å; C104-H124 PolarHBondContact SG-ND1 3.02Å; C104-H124 VanDerWaalsContact SG-ND1 3.38Å
105	D	87.9	Confident	92	Very high	78 Å²	78	61.2 Å²	61.2	42%	0.417	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-37.5	-173.5	-176.8	55.1	0	0	0	112.9	F103 K108 T125	F103-D105 HydrophobicContact CE1-CB 4.17Å; D105-K108 WeakPolarHBondContact O-CD 3.15Å; D105-K108 WeakPolarHBondContact O-CE 3.41Å; D105-K108 PolarHBondContact O-NZ 3.16Å; D105-K108 IonicContact OD1-NZ 2.75Å; D105-K108 PolarHBondContact OD1-NZ 3.04Å; D105-K108 IonicContact OD2-NZ 2.58Å; D105-T125 PolarHBondContact N-O 2.92Å; D105-T125 VanDerWaalsContact N-O 3.15Å
106	K	89.4	Confident	92.1	Very high	150 Å²	150	56.5 Å²	56.5	65%	0.652	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-39.2	-179.5	179.7	166.4	161.6	-151.1	0	112.9	C104 H124	C104-K106 PolarHBondContact O-N 3.27Å; K106-H124 HydrophobicContact CB-CB 4.44Å; K106-H124 WeakPolarHBondContact CD-NE2 2.7Å; K106-H124 WeakPolarHBondContact CE-NE2 3.37Å; K106-H124 PolarHBondContact NZ-NE2 3.06Å
107	S	89.9	Confident	92.1	Very high	48 Å²	48	59 Å²	59	34%	0.336	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-10.5	-177.3	-55.6	0	0	0	0	113.2	C104 I109 H124	C104-S107 PolarHBondContact O-N 3.05Å; C104-S107 PolarHBondContact SG-OG 3.18Å; S107-I109 VanDerWaalsContact C-N 3.26Å; S107-I109 PolarHBondContact O-N 2.85Å; S107-H124 PolarHBondContact OG-CE1 2.84Å; S107-H124 PolarHBondContact OG-ND1 2.69Å
108	K	90.2	Very high	92.2	Very high	52 Å²	52	54 Å²	54	23%	0.226	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	39.5	-175.6	-53.3	-63.9	177.9	-168.3	0	113.6	F103 C104 D105	F103-K108 HydrophobicContact CZ-CD 3.91Å; C104-K108 WeakPolarHBondContact O-CA 3.25Å; C104-K108 PolarHBondContact O-N 3.09Å; D105-K108 WeakPolarHBondContact O-CD 3.15Å; D105-K108 WeakPolarHBondContact O-CE 3.41Å; D105-K108 PolarHBondContact O-NZ 3.16Å; D105-K108 IonicContact OD1-NZ 2.75Å; D105-K108 PolarHBondContact OD1-NZ 3.04Å; D105-K108 IonicContact OD2-NZ 2.58Å
109	I	91.4	Very high	92.2	Very high	73 Å²	73	60.6 Å²	60.6	37%	0.374	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	158.9	179.2	61.6	174.5	0	0	0	112.1	C104 S107 L111	C104-I109 HydrophobicContact CB-CG1 4.43Å; C104-I109 PolarHBondContact N-O 3.44Å; S107-I109 VanDerWaalsContact C-N 3.26Å; S107-I109 PolarHBondContact O-N 2.85Å; I109-L111 HydrophobicContact CD1-CD2 3.74Å; I109-L111 HydrophobicContact CG1-CD2 4.05Å; I109-L111 HydrophobicContact CG1-CG 4.46Å
110	L	92.5	Very high	92.1	Very high	20 Å²	20	64 Å²	64	11%	0.105	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	135.3	171.6	-60.6	174.6	0	0	0	110.9	L86 K100 I102 F103 I129 L244	L86-L110 HydrophobicContact CD2-CD1 3.92Å; K100-L110 HydrophobicContact CB-CB 3.77Å; K100-L110 HydrophobicContact CD-CB 4.46Å; K100-L110 WeakPolarHBondContact CD-O 3.45Å; I102-L110 CarbonylContact O-C 3.13Å; I102-L110 WeakPolarHBondContact O-CA 3.33Å; F103-L110 HydrophobicContact CB-CD2 4.13Å; F103-L110 HydrophobicContact CD2-CD2 4.02Å; L110-I129 HydrophobicContact CD1-CD1 3.82Å; L110-I129 HydrophobicContact CD2-CD1 3.62Å; L110-I129 HydrophobicContact CD2-CG1 3.95Å; L110-I129 HydrophobicContact CG-CD1 4.4Å; L110-L244 HydrophobicContact CD2-CD1 4.45Å
111	L	93.9	Very high	92	Very high	12 Å²	12	61.3 Å²	61.3	6%	0.063	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	151.4	-178.1	-58.1	178.3	0	0	0	110.1	K100 M101 I102 C104 I109 C115 H121	K100-L111 CarbonylContact C-O 3.59Å; K100-L111 WeakPolarHBondContact CA-O 3.46Å; M101-L111 PolarHBondContact N-O 3.41Å; M101-L111 VanDerWaalsContact N-O 3.11Å; I102-L111 HydrophobicContact CB-CB 4.34Å; I102-L111 WeakPolarHBondContact CB-O 3.28Å; I102-L111 PolarHBondContact N-O 2.99Å; I102-L111 PolarHBondContact O-N 2.86Å; C104-L111 HydrophobicContact CB-CD1 3.83Å; C104-L111 HydrophobicContact CB-CG 4.34Å; I109-L111 HydrophobicContact CD1-CD2 3.74Å; I109-L111 HydrophobicContact CG1-CD2 4.05Å; I109-L111 HydrophobicContact CG1-CG 4.46Å; L111-C115 HydrophobicContact CB-CB 4.18Å; L111-C115 HydrophobicContact CD2-CB 4.18Å; L111-H121 HydrophobicContact CD1-CB 4.46Å
112	C	94.4	Very high	91.7	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.007	33%	0.331	C	S	.	.			trans	-80	165.4	160	72.8	0	0	0	0	109.9	C93 H96 A98 K99 L114 C115 S116	C93-C112 HydrophobicContact CB-CB 4.03Å; C93-C112 VanDerWaalsContact SG-SG 3.69Å; H96-C112 PolarHBondContact ND1-SG 3.43Å; H96-C112 VanDerWaalsContact ND1-SG 3.44Å; A98-C112 HydrophobicContact CB-CB 3.94Å; K99-C112 WeakPolarHBondContact O-CA 3.47Å; K99-C112 WeakPolarHBondContact O-CB 3.49Å; C112-L114 VanDerWaalsContact C-N 3.28Å; C112-L114 PolarHBondContact O-N 3.43Å; C112-C115 PolarHBondContact O-N 2.83Å; C112-C115 VanDerWaalsContact O-N 3.08Å; C112-S116 PolarHBondContact O-N 3.14Å
113	H	91.9	Very high	91.4	Very high	120 Å²	120	66.2 Å²	66.2	56%	0.556	36%	0.361	S	S	*	.	H	α-helix	trans	-53	-42.9	-179.6	-69.5	-75.3	0	0	0	113.1	C115 S116 D117	H113-C115 PolarHBondContact O-N 3.35Å; H113-S116 WeakPolarHBondContact O-CB 3.01Å; H113-S116 PolarHBondContact O-N 3.39Å; H113-D117 PolarHBondContact O-N 3.39Å
114	L	93.4	Very high	91.4	Very high	104 Å²	104	67.7 Å²	67.7	55%	0.545	37%	0.368	S	S	.	.	H	α-helix	trans	-68.4	-32.9	-180	-62.7	174.2	0	0	0	113.3	H96 C112	H96-L114 HydrophobicContact CB-CD1 4.09Å; H96-L114 VanDerWaalsContact CD2-CD1 3.43Å; H96-L114 WeakPolarHBondContact CD2-CD1 3.4Å; C112-L114 VanDerWaalsContact C-N 3.28Å; C112-L114 PolarHBondContact O-N 3.43Å
115	C	93.9	Very high	91.3	Very high	27 Å²	27	72.8 Å²	72.8	18%	0.182	40%	0.399	C	S	.	.	H	α-helix	trans	-74.8	-31.8	175.7	-70.4	0	0	0	0	112.1	C93 H96 L111 C112 H113 D117 S118	C93-C115 VanDerWaalsContact SG-SG 3.63Å; H96-C115 PolarHBondContact ND1-SG 2.86Å; H96-C115 VanDerWaalsContact ND1-SG 3.44Å; L111-C115 HydrophobicContact CB-CB 4.18Å; L111-C115 HydrophobicContact CD2-CB 4.18Å; C112-C115 PolarHBondContact O-N 2.83Å; C112-C115 VanDerWaalsContact O-N 3.08Å; H113-C115 PolarHBondContact O-N 3.35Å; C115-D117 VanDerWaalsContact C-N 3.25Å; C115-D117 PolarHBondContact O-N 3.43Å; C115-S118 VanDerWaalsContact O-CB 3.29Å; C115-S118 WeakPolarHBondContact O-CB 3.33Å; C115-S118 PolarHBondContact O-N 2.91Å; C115-S118 PolarHBondContact O-OG 2.93Å
116	S	93.2	Very high	91.7	Very high	15 Å²	15	71.6 Å²	71.6	11%	0.105	39%	0.391	C	S	.	.	H	α-helix	trans	-58.9	-38.6	173	161.7	0	0	0	0	111.6	C112 H113 S118 H126	C112-S116 PolarHBondContact O-N 3.14Å; H113-S116 WeakPolarHBondContact O-CB 3.01Å; H113-S116 PolarHBondContact O-N 3.39Å; S116-S118 VanDerWaalsContact C-N 3.27Å; S116-S118 PolarHBondContact O-N 2.62Å; S116-H126 PolarHBondContact O-CE1 2.91Å; S116-H126 PolarHBondContact OG-ND1 2.99Å
117	D	91.6	Very high	91.9	Very high	130 Å²	130	66 Å²	66	70%	0.695	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	2.2	-178	-58.1	-19	0	0	0	113.1	H113 C115	H113-D117 PolarHBondContact O-N 3.39Å; C115-D117 VanDerWaalsContact C-N 3.25Å; C115-D117 PolarHBondContact O-N 3.43Å
118	S	92	Very high	92.1	Very high	38 Å²	38	66 Å²	66	27%	0.266	37%	0.371	S	S	.	.	S	Bend	trans	-69.7	155.8	180	73.1	0	0	0	0	111.9	C115 S116 E120 H121 S122	C115-S118 VanDerWaalsContact O-CB 3.29Å; C115-S118 WeakPolarHBondContact O-CB 3.33Å; C115-S118 PolarHBondContact O-N 2.91Å; C115-S118 PolarHBondContact O-OG 2.93Å; S116-S118 VanDerWaalsContact C-N 3.27Å; S116-S118 PolarHBondContact O-N 2.62Å; S118-E120 PolarHBondContact O-N 3.17Å; S118-H121 CarbonylContact O-C 3.58Å; S118-H121 PolarHBondContact O-N 2.95Å; S118-S122 PolarHBondContact O-N 3.3Å
119	Q	90.8	Very high	92.2	Very high	178 Å²	178	63.7 Å²	63.7	83%	0.832	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-59.1	-33.6	179	-168.2	171.9	7.7	0	0	112.6	H121 S122	Q119-H121 PolarHBondContact O-N 2.93Å; Q119-S122 PolarHBondContact O-N 2.78Å; Q119-S122 PolarHBondContact O-OG 3.31Å
120	E	89.8	Confident	92.1	Very high	160 Å²	160	63 Å²	63	75%	0.748	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-58.5	-33.1	176.5	-173.7	177.7	-178.5	0	0	112.5	S118	S118-E120 PolarHBondContact O-N 3.17Å
121	H	90.4	Very high	92.1	Very high	9 Å²	9	64.8 Å²	64.8	4%	0.042	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-109.3	2.7	-175.8	-76.7	-82.2	0	0	0	114.2	L111 S118 Q119 G123 H124 H126	L111-H121 HydrophobicContact CD1-CB 4.46Å; S118-H121 CarbonylContact O-C 3.58Å; S118-H121 PolarHBondContact O-N 2.95Å; Q119-H121 PolarHBondContact O-N 2.93Å; H121-G123 PolarHBondContact O-N 3.46Å; H121-H124 AromaticContact ND1-ND1 3.43Å; H121-H124 PolarHBondContact ND1-ND1 3.34Å; H121-H124 PolarHBondContact O-N 3.06Å; H121-H126 AromaticContact ND1-NE2 3.84Å; H121-H126 PolarHBondContact O-CE1 3.31Å
122	S	86.4	Confident	92	Very high	96 Å²	96	64.4 Å²	64.4	67%	0.671	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-19.7	-174.2	60.8	0	0	0	0	115.7	S118 Q119	S118-S122 PolarHBondContact O-N 3.3Å; Q119-S122 PolarHBondContact O-N 2.78Å; Q119-S122 PolarHBondContact O-OG 3.31Å
123	G	87.4	Confident	91.8	Very high	69 Å²	69	64.6 Å²	64.6	71%	0.711	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	10.7	176.7	0	0	0	0	0	114.8	H121	H121-G123 PolarHBondContact O-N 3.46Å
124	H	94	Very high	91.6	Very high	41 Å²	41	64.4 Å²	64.4	19%	0.19	37%	0.368	C	S	.	.	S	Bend	trans	-101	154.1	-177.5	-66.2	-173.1	0	0	0	110.9	C104 K106 S107 H121 H126	C104-H124 PolarHBondContact SG-ND1 3.02Å; C104-H124 VanDerWaalsContact SG-ND1 3.38Å; K106-H124 HydrophobicContact CB-CB 4.44Å; K106-H124 WeakPolarHBondContact CD-NE2 2.7Å; K106-H124 WeakPolarHBondContact CE-NE2 3.37Å; K106-H124 PolarHBondContact NZ-NE2 3.06Å; S107-H124 PolarHBondContact OG-CE1 2.84Å; S107-H124 PolarHBondContact OG-ND1 2.69Å; H121-H124 AromaticContact ND1-ND1 3.43Å; H121-H124 PolarHBondContact ND1-ND1 3.34Å; H121-H124 PolarHBondContact O-N 3.06Å; H124-H126 WeakPolarHBondContact CB-NE2 3.5Å
125	T	93.1	Very high	91.5	Very high	108 Å²	108	64.8 Å²	64.8	66%	0.663	37%	0.367	S	S	*	.			trans	-86.8	128.7	173.6	-55.3	0	0	0	0	109.5	D105	D105-T125 PolarHBondContact N-O 2.92Å; D105-T125 VanDerWaalsContact N-O 3.15Å
126	H	95.1	Very high	91.3	Very high	52 Å²	52	64.7 Å²	64.7	24%	0.241	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	147.3	-179.3	-56.9	151.2	0	0	0	111.1	I102 F103 S116 H121 H124	I102-H126 HydrophobicContact CG2-CB 3.72Å; F103-H126 VanDerWaalsContact O-CA 3.31Å; F103-H126 WeakPolarHBondContact O-CA 3.36Å; S116-H126 PolarHBondContact O-CE1 2.91Å; S116-H126 PolarHBondContact OG-ND1 2.99Å; H121-H126 AromaticContact ND1-NE2 3.84Å; H121-H126 PolarHBondContact O-CE1 3.31Å; H124-H126 WeakPolarHBondContact CB-NE2 3.5Å
127	C	94.6	Very high	90.9	Very high	32 Å²	32	64.8 Å²	64.8	22%	0.216	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	167.2	169.5	61.2	0	0	0	0	110.1	I102 F103 V131	I102-C127 WeakPolarHBondContact CA-O 3.2Å; F103-C127 PolarHBondContact N-O 2.86Å; F103-C127 PolarHBondContact O-N 3.16Å; F103-C127 VanDerWaalsContact O-N 3.16Å; C127-V131 HydrophobicContact CB-CB 4.24Å; C127-V131 HydrophobicContact CB-CG1 4.05Å
128	S	94.3	Very high	90.7	Very high	50 Å²	50	63.9 Å²	63.9	35%	0.35	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	151.1	171.3	74.7	0	0	0	0	110.2	D130 V131 A132	S128-D130 PolarHBondContact O-N 3.09Å; S128-V131 PolarHBondContact O-N 3.19Å; S128-V131 VanDerWaalsContact O-N 3.1Å; S128-V131 VanDerWaalsContact OG-CG2 3.32Å; S128-V131 WeakPolarHBondContact OG-CG2 3.42Å; S128-V131 PolarHBondContact OG-N 3.32Å; S128-A132 PolarHBondContact O-N 2.94Å
129	I	91.6	Very high	90.6	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.01	36%	0.357	C	S	.	.	H	α-helix	trans	-58.1	-34.2	177.6	-162.8	171.5	0	0	0	112.6	L82 L86 M101 L110 V131 A132 V133 L244	L82-I129 HydrophobicContact CD1-CD1 3.79Å; L82-I129 HydrophobicContact CD2-CD1 3.89Å; L82-I129 HydrophobicContact CD2-CG1 4.16Å; L82-I129 HydrophobicContact CD2-CG2 4.47Å; L82-I129 HydrophobicContact CG-CD1 4.21Å; L86-I129 HydrophobicContact CD1-CD1 3.91Å; L86-I129 HydrophobicContact CD1-CG2 4.44Å; L86-I129 HydrophobicContact CD2-CD1 4.31Å; M101-I129 HydrophobicContact CE-CG2 3.85Å; M101-I129 PolarHBondContact O-N 3.27Å; L110-I129 HydrophobicContact CD1-CD1 3.82Å; L110-I129 HydrophobicContact CD2-CD1 3.62Å; L110-I129 HydrophobicContact CD2-CG1 3.95Å; L110-I129 HydrophobicContact CG-CD1 4.4Å; I129-V131 PolarHBondContact O-N 3.14Å; I129-A132 PolarHBondContact O-N 2.63Å; I129-V133 HydrophobicContact CG1-CG2 4.44Å; I129-V133 VanDerWaalsContact O-CG2 3.3Å; I129-V133 WeakPolarHBondContact O-CG2 3.46Å; I129-V133 PolarHBondContact O-N 3.2Å; I129-L244 HydrophobicContact CD1-CD1 4.24Å; I129-L244 HydrophobicContact CG1-CD1 3.61Å
130	D	89.3	Confident	90.6	Very high	59 Å²	59	56.9 Å²	56.9	32%	0.316	32%	0.318	S	S	.	.	H	α-helix	trans	-61.6	-44.5	176.5	-78	-44.2	0	0	0	111.6	K79 S128 Q134	K79-D130 WeakPolarHBondContact CE-OD1 3.32Å; K79-D130 IonicContact NZ-OD1 2.78Å; K79-D130 PolarHBondContact NZ-OD1 3.04Å; K79-D130 IonicContact NZ-OD2 3.89Å; K79-D130 PolarHBondContact NZ-OD2 2.96Å; S128-D130 PolarHBondContact O-N 3.09Å; D130-Q134 WeakPolarHBondContact O-CB 3.39Å; D130-Q134 PolarHBondContact O-N 3.41Å; D130-Q134 VanDerWaalsContact O-N 3.11Å
131	V	92	Very high	90.3	Very high	58 Å²	58	52.3 Å²	52.3	35%	0.352	30%	0.298	S	S	.	.	H	α-helix	trans	-65.5	-46.7	177.3	171.9	0	0	0	0	110.3	C127 S128 I129 V133 Q134 E135	C127-V131 HydrophobicContact CB-CB 4.24Å; C127-V131 HydrophobicContact CB-CG1 4.05Å; S128-V131 PolarHBondContact O-N 3.19Å; S128-V131 VanDerWaalsContact O-N 3.1Å; S128-V131 VanDerWaalsContact OG-CG2 3.32Å; S128-V131 WeakPolarHBondContact OG-CG2 3.42Å; S128-V131 PolarHBondContact OG-N 3.32Å; I129-V131 PolarHBondContact O-N 3.14Å; V131-V133 VanDerWaalsContact C-N 3.34Å; V131-V133 PolarHBondContact O-N 3.36Å; V131-Q134 PolarHBondContact O-N 3.49Å; V131-E135 HydrophobicContact CG1-CG 4.29Å; V131-E135 WeakPolarHBondContact O-CG 3.3Å; V131-E135 PolarHBondContact O-N 2.87Å
132	A	92.6	Very high	90.2	Very high	4 Å²	4	59.5 Å²	59.5	3%	0.033	33%	0.329	C	S	.	.	H	α-helix	trans	-58.2	-45.2	179.3	0	0	0	0	0	112.3	F103 S128 I129 K136 L244	F103-A132 HydrophobicContact CB-CB 3.79Å; F103-A132 HydrophobicContact CD1-CB 3.67Å; F103-A132 HydrophobicContact CE1-CB 4.45Å; F103-A132 HydrophobicContact CG-CB 3.85Å; S128-A132 PolarHBondContact O-N 2.94Å; I129-A132 PolarHBondContact O-N 2.63Å; A132-K136 VanDerWaalsContact O-CB 3.31Å; A132-K136 WeakPolarHBondContact O-CB 3.41Å; A132-K136 PolarHBondContact O-N 3.17Å; A132-L244 HydrophobicContact CB-CD1 4.05Å; A132-L244 HydrophobicContact CB-CD2 3.71Å
133	V	89.9	Confident	90.4	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.03	30%	0.3	C	S	.	.	H	α-helix	trans	-62.9	-44.9	178.4	169.6	0	0	0	0	110.6	L82 I129 V131 K136 M137 Y240 L244	L82-V133 HydrophobicContact CD2-CG2 4.37Å; I129-V133 HydrophobicContact CG1-CG2 4.44Å; I129-V133 VanDerWaalsContact O-CG2 3.3Å; I129-V133 WeakPolarHBondContact O-CG2 3.46Å; I129-V133 PolarHBondContact O-N 3.2Å; V131-V133 VanDerWaalsContact C-N 3.34Å; V131-V133 PolarHBondContact O-N 3.36Å; V133-K136 PolarHBondContact O-N 2.95Å; V133-M137 HydrophobicContact CG1-CG 4.33Å; V133-M137 WeakPolarHBondContact O-CB 3.33Å; V133-M137 WeakPolarHBondContact O-CG 3.48Å; V133-M137 PolarHBondContact O-N 3.22Å; V133-Y240 HydrophobicContact CB-CG 4.46Å; V133-Y240 HydrophobicContact CG1-CD1 3.58Å; V133-Y240 HydrophobicContact CG1-CD2 3.68Å; V133-Y240 HydrophobicContact CG1-CE1 3.66Å; V133-Y240 HydrophobicContact CG1-CE2 3.75Å; V133-Y240 HydrophobicContact CG1-CG 3.58Å; V133-Y240 HydrophobicContact CG2-CD2 4.15Å; V133-Y240 HydrophobicContact CG2-CG 3.94Å; V133-L244 HydrophobicContact CG2-CD1 3.76Å; V133-L244 HydrophobicContact CG2-CD2 4.32Å; V133-L244 HydrophobicContact CG2-CG 4.08Å
134	Q	88.4	Confident	90.3	Very high	115 Å²	115	52.5 Å²	52.5	54%	0.537	27%	0.267	S	S	.	.	H	α-helix	trans	-60.7	-51.9	-179.8	-178.6	178.8	-17.3	0	0	111	D130 V131 K136 M137 E138	D130-Q134 WeakPolarHBondContact O-CB 3.39Å; D130-Q134 PolarHBondContact O-N 3.41Å; D130-Q134 VanDerWaalsContact O-N 3.11Å; V131-Q134 PolarHBondContact O-N 3.49Å; Q134-K136 VanDerWaalsContact C-N 3.32Å; Q134-K136 PolarHBondContact O-N 3.44Å; Q134-M137 PolarHBondContact O-N 3.28Å; Q134-E138 HydrophobicContact CG-CG 4.42Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.35Å; Q134-E138 PolarHBondContact NE2-OE1 3.43Å; Q134-E138 WeakPolarHBondContact O-CB 3.3Å; Q134-E138 WeakPolarHBondContact O-CG 3.49Å; Q134-E138 PolarHBondContact O-N 2.87Å
135	E	91.1	Very high	89.7	Confident	113 Å²	113	54.8 Å²	54.8	53%	0.528	28%	0.281	S	S	.	.	H	α-helix	trans	-57.9	-45.1	179.5	-71.2	175.5	162.5	0	0	111.5	V131 M137 E138 E139	V131-E135 HydrophobicContact CG1-CG 4.29Å; V131-E135 WeakPolarHBondContact O-CG 3.3Å; V131-E135 PolarHBondContact O-N 2.87Å; E135-M137 PolarHBondContact O-N 2.96Å; E135-E138 PolarHBondContact O-N 2.89Å; E135-E139 PolarHBondContact O-N 3.28Å
136	K	88.8	Confident	89.4	Confident	24 Å²	24	52.2 Å²	52.2	10%	0.104	27%	0.267	C	S	.	.	H	α-helix	trans	-64.4	-39.8	179.3	-163.6	62.6	151.2	176.9	0	112.4	A132 V133 Q134 L140 L243 L244 L248 F252	A132-K136 VanDerWaalsContact O-CB 3.31Å; A132-K136 WeakPolarHBondContact O-CB 3.41Å; A132-K136 PolarHBondContact O-N 3.17Å; V133-K136 PolarHBondContact O-N 2.95Å; Q134-K136 VanDerWaalsContact C-N 3.32Å; Q134-K136 PolarHBondContact O-N 3.44Å; K136-L140 PolarHBondContact O-N 3.4Å; K136-L243 HydrophobicContact CG-CD1 4.32Å; K136-L243 HydrophobicContact CG-CD2 4.12Å; K136-L243 HydrophobicContact CG-CG 3.9Å; K136-L244 HydrophobicContact CB-CD2 4.2Å; K136-L248 HydrophobicContact CD-CD1 4.4Å; K136-F252 HydrophobicContact CD-CE2 4.42Å; K136-F252 HydrophobicContact CD-CZ 4.47Å
137	M	85.8	Confident	88.9	Confident	18 Å²	18	49.7 Å²	49.7	9%	0.089	26%	0.256	C	S	.	.	H	α-helix	trans	-71.1	-39.8	177.5	-76.1	-58.6	-171.2	0	0	112.6	M24 V133 Q134 E135 E139 L140 L141 Y240 L243	M24-M137 HydrophobicContact CE-CE 4.46Å; M24-M137 HydrophobicContact CE-SD 3.8Å; M24-M137 HydrophobicContact SD-CE 4.44Å; V133-M137 HydrophobicContact CG1-CG 4.33Å; V133-M137 WeakPolarHBondContact O-CB 3.33Å; V133-M137 WeakPolarHBondContact O-CG 3.48Å; V133-M137 PolarHBondContact O-N 3.22Å; Q134-M137 PolarHBondContact O-N 3.28Å; E135-M137 PolarHBondContact O-N 2.96Å; M137-E139 VanDerWaalsContact C-N 3.32Å; M137-E139 PolarHBondContact O-N 3.19Å; M137-L140 PolarHBondContact O-N 3.25Å; M137-L140 HydrophobicContact SD-CD1 3.83Å; M137-L141 WeakPolarHBondContact O-CB 3.49Å; M137-L141 VanDerWaalsContact O-CG 3.3Å; M137-L141 WeakPolarHBondContact O-CG 3.23Å; M137-L141 PolarHBondContact O-N 3.45Å; M137-Y240 HydrophobicContact CE-CD1 3.77Å; M137-Y240 HydrophobicContact CE-CE1 3.53Å; M137-Y240 HydrophobicContact CG-CE1 4.5Å; M137-L243 HydrophobicContact CE-CD2 3.21Å; M137-L243 HydrophobicContact CG-CD2 4.19Å; M137-L243 HydrophobicContact SD-CD2 3.59Å; M137-L243 VanDerWaalsContact SD-CD2 3.59Å
138	E	87.6	Confident	88.2	Confident	111 Å²	111	49 Å²	49	52%	0.519	25%	0.249	S	C	.	.	H	α-helix	trans	-61.5	-41.9	174	-74.5	177.7	-171	0	0	111.2	Q134 E135 K142	Q134-E138 HydrophobicContact CG-CG 4.42Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.35Å; Q134-E138 PolarHBondContact NE2-OE1 3.43Å; Q134-E138 WeakPolarHBondContact O-CB 3.3Å; Q134-E138 WeakPolarHBondContact O-CG 3.49Å; Q134-E138 PolarHBondContact O-N 2.87Å; E135-E138 PolarHBondContact O-N 2.89Å; E138-K142 VanDerWaalsContact O-CB 3.32Å; E138-K142 WeakPolarHBondContact O-CB 3.35Å; E138-K142 PolarHBondContact O-N 3.36Å
139	E	90.6	Very high	87.4	Confident	69 Å²	69	50.7 Å²	50.7	32%	0.322	25%	0.251	S	S	.	.	H	α-helix	trans	-63.7	-47.1	175.1	-172.6	169.4	-158	0	0	111.9	E135 M137 L141 K142 H143 F252 K256	E135-E139 PolarHBondContact O-N 3.28Å; M137-E139 VanDerWaalsContact C-N 3.32Å; M137-E139 PolarHBondContact O-N 3.19Å; E139-L141 PolarHBondContact O-N 3.45Å; E139-K142 WeakPolarHBondContact O-CB 3.44Å; E139-K142 PolarHBondContact O-N 3.37Å; E139-H143 PolarHBondContact O-CD2 3.43Å; E139-H143 VanDerWaalsContact O-CD2 3.27Å; E139-H143 PolarHBondContact O-N 3.17Å; E139-H143 IonicContact OE1-NE2 2.67Å; E139-F252 HydrophobicContact CB-CZ 4.48Å; E139-F252 VanDerWaalsContact CD-CE2 3.43Å; E139-F252 HydrophobicContact CG-CD2 4.27Å; E139-F252 HydrophobicContact CG-CE2 3.85Å; E139-F252 HydrophobicContact CG-CZ 4.03Å; E139-F252 VanDerWaalsContact OE2-CE2 3.32Å; E139-F252 WeakPolarHBondContact OE2-CE2 3.38Å; E139-K256 IonicContact OE1-NZ 2.65Å
140	L	88.9	Confident	86.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-54.5	-51.6	175.1	-87.6	169.1	0	0	0	112.2	K136 M137 K142 H143 M144 L232 M235 L243 L248 F252	K136-L140 PolarHBondContact O-N 3.4Å; M137-L140 PolarHBondContact O-N 3.25Å; M137-L140 HydrophobicContact SD-CD1 3.83Å; L140-K142 VanDerWaalsContact C-N 3.31Å; L140-K142 PolarHBondContact O-N 3.46Å; L140-H143 PolarHBondContact O-N 2.85Å; L140-M144 WeakPolarHBondContact O-CG 3.26Å; L140-M144 PolarHBondContact O-N 3.3Å; L140-L232 HydrophobicContact CD2-CD2 3.64Å; L140-M235 HydrophobicContact CD2-CB 4.21Å; L140-L243 HydrophobicContact CD1-CD1 3.63Å; L140-L243 HydrophobicContact CD1-CD2 3.86Å; L140-L243 HydrophobicContact CD1-CG 4.36Å; L140-L248 HydrophobicContact CD2-CD1 4.3Å; L140-F252 HydrophobicContact CD2-CE1 3.8Å; L140-F252 HydrophobicContact CD2-CZ 4.24Å; L140-F252 HydrophobicContact CG-CE1 4.17Å; L140-F252 HydrophobicContact CG-CZ 4.16Å
141	L	84.6	Confident	86.3	Confident	63 Å²	63	48.9 Å²	48.9	33%	0.33	24%	0.239	S	C	.	.	H	α-helix	trans	-63.2	-38.3	-178.7	-71.3	173.2	0	0	0	111.7	M24 M137 E139 M144 D145	M24-L141 HydrophobicContact CE-CD2 4.03Å; M24-L141 HydrophobicContact CE-CG 4.41Å; M137-L141 WeakPolarHBondContact O-CB 3.49Å; M137-L141 VanDerWaalsContact O-CG 3.3Å; M137-L141 WeakPolarHBondContact O-CG 3.23Å; M137-L141 PolarHBondContact O-N 3.45Å; E139-L141 PolarHBondContact O-N 3.45Å; L141-M144 PolarHBondContact O-N 3.39Å; L141-D145 PolarHBondContact O-N 2.87Å
142	K	88.1	Confident	85.4	Confident	161 Å²	161	51.2 Å²	51.2	70%	0.7	25%	0.245	S	C	*	.	H	α-helix	trans	-62.1	-44	175.2	-178.8	-179.1	179.9	179.2	0	112.1	E138 E139 L140 S146	E138-K142 VanDerWaalsContact O-CB 3.32Å; E138-K142 WeakPolarHBondContact O-CB 3.35Å; E138-K142 PolarHBondContact O-N 3.36Å; E139-K142 WeakPolarHBondContact O-CB 3.44Å; E139-K142 PolarHBondContact O-N 3.37Å; L140-K142 VanDerWaalsContact C-N 3.31Å; L140-K142 PolarHBondContact O-N 3.46Å; K142-S146 WeakPolarHBondContact O-CB 3.28Å; K142-S146 PolarHBondContact O-N 3.02Å; K142-S146 VanDerWaalsContact O-N 3.08Å
143	H	90.1	Very high	84.4	Confident	14 Å²	14	54.8 Å²	54.8	7%	0.065	26%	0.263	C	S	.	.	H	α-helix	trans	-63.3	-43.2	175.6	-88.5	-91.6	0	0	0	111.8	E139 L140 S146 L147 L232 F252 S255 K256	E139-H143 PolarHBondContact O-CD2 3.43Å; E139-H143 VanDerWaalsContact O-CD2 3.27Å; E139-H143 PolarHBondContact O-N 3.17Å; E139-H143 IonicContact OE1-NE2 2.67Å; L140-H143 PolarHBondContact O-N 2.85Å; H143-S146 PolarHBondContact O-N 3.33Å; H143-L147 WeakPolarHBondContact O-CG 3.48Å; H143-L147 PolarHBondContact O-N 3.41Å; H143-L147 VanDerWaalsContact O-N 3.14Å; H143-L232 HydrophobicContact CB-CD1 4.11Å; H143-L232 HydrophobicContact CB-CD2 4.38Å; H143-F252 AromaticContact CD2-CD1 3.97Å; H143-F252 PolarHBondContact CE1-O 2.88Å; H143-F252 AromaticContact NE2-CG 3.95Å; H143-S255 VanDerWaalsContact ND1-CB 3.31Å; H143-S255 WeakPolarHBondContact ND1-CB 3.41Å; H143-S255 PolarHBondContact ND1-OG 3.32Å; H143-K256 VanDerWaalsContact CE1-CE 3.46Å; H143-K256 WeakPolarHBondContact CE1-CE 3.37Å; H143-K256 VanDerWaalsContact NE2-CE 3.35Å; H143-K256 WeakPolarHBondContact NE2-CE 3.23Å; H143-K256 PolarHBondContact NE2-NZ 3.14Å
144	M	85.9	Confident	83.3	Confident	4 Å²	4	54.7 Å²	54.7	2%	0.02	26%	0.262	C	S	.	.	H	α-helix	trans	-62.7	-50.1	176.4	-70.6	172.7	59.9	0	0	111.8	T38 L140 L141 S146 L147 W148 Y229 L232 M233	T38-M144 HydrophobicContact CG2-CE 3.98Å; L140-M144 WeakPolarHBondContact O-CG 3.26Å; L140-M144 PolarHBondContact O-N 3.3Å; L141-M144 PolarHBondContact O-N 3.39Å; M144-S146 VanDerWaalsContact C-N 3.32Å; M144-S146 PolarHBondContact O-N 3.43Å; M144-L147 PolarHBondContact O-N 2.88Å; M144-W148 WeakPolarHBondContact O-CB 3.29Å; M144-W148 PolarHBondContact O-N 3.49Å; M144-Y229 HydrophobicContact CB-CE2 3.94Å; M144-Y229 HydrophobicContact CG-CE2 4.39Å; M144-Y229 VanDerWaalsContact O-CE2 3.3Å; M144-Y229 WeakPolarHBondContact O-CE2 3.26Å; M144-L232 HydrophobicContact CG-CB 3.75Å; M144-L232 HydrophobicContact CG-CD1 4.15Å; M144-L232 HydrophobicContact SD-CB 4.32Å; M144-M233 HydrophobicContact CE-CG 3.85Å; M144-M233 HydrophobicContact CE-SD 3.2Å; M144-M233 WeakPolarHBondContact CE-SD 3.49Å; M144-M233 HydrophobicContact SD-SD 4.47Å
145	D	81.9	Confident	82.2	Confident	88 Å²	88	52.1 Å²	52.1	47%	0.471	25%	0.25	S	C	.	.	H	α-helix	trans	-58.8	-44.5	178.9	-178.7	52.8	0	0	0	111.3	L141 L147 W148 Q149	L141-D145 PolarHBondContact O-N 2.87Å; D145-L147 VanDerWaalsContact C-N 3.33Å; D145-L147 PolarHBondContact O-N 2.89Å; D145-W148 WeakPolarHBondContact O-CB 3.29Å; D145-W148 PolarHBondContact O-N 3.39Å; D145-W148 VanDerWaalsContact O-N 3.16Å; D145-Q149 WeakPolarHBondContact O-CG 3.04Å; D145-Q149 PolarHBondContact O-N 2.8Å; D145-Q149 PolarHBondContact OD1-NE2 3.27Å
146	S	85.9	Confident	80.7	Confident	54 Å²	54	51.6 Å²	51.6	38%	0.378	25%	0.25	S	S	.	.	H	α-helix	trans	-58.1	-41.7	177.4	-176.2	0	0	0	0	113.2	K142 H143 M144 R150	K142-S146 WeakPolarHBondContact O-CB 3.28Å; K142-S146 PolarHBondContact O-N 3.02Å; K142-S146 VanDerWaalsContact O-N 3.08Å; H143-S146 PolarHBondContact O-N 3.33Å; M144-S146 VanDerWaalsContact C-N 3.32Å; M144-S146 PolarHBondContact O-N 3.43Å; S146-R150 WeakPolarHBondContact O-CG 3.34Å
147	L	85.7	Confident	79.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-71.5	-40.3	177.2	-70.2	176.4	0	0	0	111.3	H143 M144 D145 Q149 R150 L151 L225 V228 Y229 L232 S255 A258 A259	H143-L147 WeakPolarHBondContact O-CG 3.48Å; H143-L147 PolarHBondContact O-N 3.41Å; H143-L147 VanDerWaalsContact O-N 3.14Å; M144-L147 PolarHBondContact O-N 2.88Å; D145-L147 VanDerWaalsContact C-N 3.33Å; D145-L147 PolarHBondContact O-N 2.89Å; L147-Q149 PolarHBondContact O-N 2.84Å; L147-R150 WeakPolarHBondContact O-CB 3.16Å; L147-R150 PolarHBondContact O-N 3.04Å; L147-R150 VanDerWaalsContact O-N 3.09Å; L147-L151 PolarHBondContact O-N 3.48Å; L147-L225 HydrophobicContact CD2-CD2 3.61Å; L147-V228 HydrophobicContact CD1-CB 4.35Å; L147-V228 HydrophobicContact CD1-CG1 3.87Å; L147-Y229 HydrophobicContact CB-CD2 3.92Å; L147-Y229 HydrophobicContact CD1-CD2 4.41Å; L147-L232 HydrophobicContact CD1-CD1 3.56Å; L147-S255 WeakPolarHBondContact CD1-OG 3.37Å; L147-A258 HydrophobicContact CD2-CB 4.15Å; L147-A259 HydrophobicContact CD2-CB 4.36Å
148	W	78.6	Confident	77.9	Confident	18 Å²	18	54.8 Å²	54.8	7%	0.068	27%	0.266	C	S	.	.	H	α-helix	trans	-60.8	-45.4	178.7	177.9	-109.5	0	0	0	112.4	L41 L42 E45 M144 D145 R150 L151 K152 Y229	L41-W148 HydrophobicContact CB-CH2 3.59Å; L41-W148 HydrophobicContact CB-CZ2 3.47Å; L41-W148 VanDerWaalsContact CB-CZ2 3.47Å; L41-W148 HydrophobicContact CB-CZ3 4.19Å; L41-W148 HydrophobicContact CD1-CD2 4.32Å; L41-W148 HydrophobicContact CD1-CZ2 4.07Å; L41-W148 HydrophobicContact CD2-CZ2 3.7Å; L41-W148 HydrophobicContact CG-CZ2 3.93Å; L42-W148 HydrophobicContact CD2-CZ3 3.93Å; L42-W148 HydrophobicContact CG-CZ3 4.31Å; E45-W148 HydrophobicContact CG-CH2 3.67Å; E45-W148 HydrophobicContact CG-CZ3 4.2Å; E45-W148 WeakPolarHBondContact OE1-CH2 3.29Å; E45-W148 WeakPolarHBondContact OE1-CZ3 3.01Å; M144-W148 WeakPolarHBondContact O-CB 3.29Å; M144-W148 PolarHBondContact O-N 3.49Å; D145-W148 WeakPolarHBondContact O-CB 3.29Å; D145-W148 PolarHBondContact O-N 3.39Å; D145-W148 VanDerWaalsContact O-N 3.16Å; W148-R150 PolarHBondContact O-N 3.39Å; W148-L151 HydrophobicContact CE3-CD1 4.35Å; W148-L151 PolarHBondContact O-N 2.89Å; W148-K152 WeakPolarHBondContact O-CB 3.01Å; W148-K152 PolarHBondContact O-N 3.36Å; W148-Y229 HydrophobicContact CB-CE2 3.95Å
149	Q	78.8	Confident	76.4	Confident	84 Å²	84	54.5 Å²	54.5	39%	0.393	27%	0.265	S	S	.	.	H	α-helix	trans	-57.3	-34	175.8	-64.1	-52.7	-33.8	0	0	111.7	D145 L147 I153	D145-Q149 WeakPolarHBondContact O-CG 3.04Å; D145-Q149 PolarHBondContact O-N 2.8Å; D145-Q149 PolarHBondContact OD1-NE2 3.27Å; L147-Q149 PolarHBondContact O-N 2.84Å; Q149-I153 WeakPolarHBondContact O-CD1 3.49Å; Q149-I153 VanDerWaalsContact O-CG1 3.27Å; Q149-I153 WeakPolarHBondContact O-CG1 3.33Å; Q149-I153 PolarHBondContact O-N 3.43Å; Q149-I153 VanDerWaalsContact O-N 3.17Å
150	R	78.9	Confident	74.7	Confident	24 Å²	24	55.9 Å²	55.9	9%	0.091	27%	0.27	C	S	.	.	H	α-helix	trans	-75	-44	178	-64.5	177.7	89	-104.4	6.9	112.2	S146 L147 W148 K152 I153 Q154 L225 A258 A259 V261 M263	S146-R150 WeakPolarHBondContact O-CG 3.34Å; L147-R150 WeakPolarHBondContact O-CB 3.16Å; L147-R150 PolarHBondContact O-N 3.04Å; L147-R150 VanDerWaalsContact O-N 3.09Å; W148-R150 PolarHBondContact O-N 3.39Å; R150-K152 VanDerWaalsContact C-N 3.28Å; R150-K152 PolarHBondContact O-N 3.26Å; R150-I153 PolarHBondContact O-N 3.34Å; R150-I153 VanDerWaalsContact O-N 3.13Å; R150-Q154 PolarHBondContact O-N 3.02Å; R150-L225 HydrophobicContact CB-CD1 4.48Å; R150-L225 VanDerWaalsContact NH1-CD2 3.33Å; R150-A258 PolarHBondContact NH1-O 2.92Å; R150-A258 PolarHBondContact NH2-O 2.75Å; R150-A259 WeakPolarHBondContact CD-O 3.49Å; R150-A259 PolarHBondContact NE-O 3.49Å; R150-V261 PolarHBondContact NH2-O 3.2Å; R150-M263 HydrophobicContact CB-SD 4.5Å
151	L	78	Confident	73	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-56.1	-44	173.4	-75.3	169.8	0	0	0	111.4	L147 W148 I153 Q154 Q155 R222 L225 Y229	L147-L151 PolarHBondContact O-N 3.48Å; W148-L151 HydrophobicContact CE3-CD1 4.35Å; W148-L151 PolarHBondContact O-N 2.89Å; L151-I153 PolarHBondContact O-N 3.44Å; L151-Q154 PolarHBondContact O-N 2.97Å; L151-Q154 VanDerWaalsContact O-N 3.15Å; L151-Q155 PolarHBondContact O-N 2.95Å; L151-R222 HydrophobicContact CD2-CG 4.02Å; L151-L225 HydrophobicContact CD2-CB 3.75Å; L151-L225 HydrophobicContact CD2-CD1 4.41Å; L151-L225 HydrophobicContact CG-CB 4.18Å; L151-Y229 HydrophobicContact CD1-CG 4.38Å
152	K	73.8	Confident	71.7	Confident	106 Å²	106	66.3 Å²	66.3	46%	0.461	31%	0.309	S	S	.	.	H	α-helix	trans	-61.7	-39.4	175.7	-173.8	177.4	-178.1	177.9	0	113.1	W148 R150 N156	W148-K152 WeakPolarHBondContact O-CB 3.01Å; W148-K152 PolarHBondContact O-N 3.36Å; R150-K152 VanDerWaalsContact C-N 3.28Å; R150-K152 PolarHBondContact O-N 3.26Å; K152-N156 PolarHBondContact O-ND2 2.88Å
153	I	70.7	Confident	70.6	Confident	80 Å²	80	60.6 Å²	60.6	41%	0.41	28%	0.283	S	S	.	.	H	α-helix	trans	-65.4	-44.5	174.4	-68.5	164.8	0	0	0	110	Q149 R150 L151 Q155 N156 Y157 M263	Q149-I153 WeakPolarHBondContact O-CD1 3.49Å; Q149-I153 VanDerWaalsContact O-CG1 3.27Å; Q149-I153 WeakPolarHBondContact O-CG1 3.33Å; Q149-I153 PolarHBondContact O-N 3.43Å; Q149-I153 VanDerWaalsContact O-N 3.17Å; R150-I153 PolarHBondContact O-N 3.34Å; R150-I153 VanDerWaalsContact O-N 3.13Å; L151-I153 PolarHBondContact O-N 3.44Å; I153-Q155 VanDerWaalsContact C-N 3.32Å; I153-Q155 PolarHBondContact O-N 2.75Å; I153-N156 WeakPolarHBondContact O-CB 3.43Å; I153-N156 PolarHBondContact O-N 2.85Å; I153-Y157 HydrophobicContact CG2-CE2 3.89Å; I153-Y157 VanDerWaalsContact O-CD2 3.24Å; I153-Y157 WeakPolarHBondContact O-CD2 3.35Å; I153-M263 HydrophobicContact CB-CE 4.06Å; I153-M263 HydrophobicContact CG2-CE 3.56Å
154	Q	67.4	Low	69.6	Low	2 Å²	2	62.1 Å²	62.1	1%	0.009	29%	0.291	C	S	.	.	H	α-helix	trans	-62.9	-34.5	177.5	-73.3	-174.5	-31.1	0	0	113	R150 L151 N156 Y157 V158 R222 M263	R150-Q154 PolarHBondContact O-N 3.02Å; L151-Q154 PolarHBondContact O-N 2.97Å; L151-Q154 VanDerWaalsContact O-N 3.15Å; Q154-N156 PolarHBondContact O-N 2.84Å; Q154-Y157 WeakPolarHBondContact O-CA 3.45Å; Q154-Y157 WeakPolarHBondContact O-CB 2.89Å; Q154-Y157 PolarHBondContact O-N 3.5Å; Q154-V158 PolarHBondContact O-N 2.94Å; Q154-V158 VanDerWaalsContact O-N 3.09Å; Q154-R222 VanDerWaalsContact OE1-CA 3.27Å; Q154-R222 VanDerWaalsContact OE1-CB 3.31Å; Q154-M263 HydrophobicContact CB-CE 4.43Å; Q154-M263 HydrophobicContact CG-CE 3.34Å; Q154-M263 HydrophobicContact CG-SD 4.36Å
155	Q	64.8	Low	68.8	Low	62 Å²	62	66.3 Å²	66.3	29%	0.29	32%	0.317	S	S	.	.	H	α-helix	trans	-57.8	-35.6	176.6	-162.2	-178	14.3	0	0	112.2	L151 I153 Y157 V158 E159	L151-Q155 PolarHBondContact O-N 2.95Å; I153-Q155 VanDerWaalsContact C-N 3.32Å; I153-Q155 PolarHBondContact O-N 2.75Å; Q155-Y157 PolarHBondContact O-N 3.37Å; Q155-V158 PolarHBondContact O-N 3.47Å; Q155-E159 PolarHBondContact O-N 3.03Å
156	N	60.8	Low	68.4	Low	101 Å²	101	66 Å²	66	54%	0.54	31%	0.314	S	S	.	.	H	α-helix	trans	-68.4	-17.6	174	-69.9	-55.6	0	0	0	114	K152 I153 Q154 K160	K152-N156 PolarHBondContact O-ND2 2.88Å; I153-N156 WeakPolarHBondContact O-CB 3.43Å; I153-N156 PolarHBondContact O-N 2.85Å; Q154-N156 PolarHBondContact O-N 2.84Å; N156-K160 WeakPolarHBondContact O-CD 3.45Å; N156-K160 VanDerWaalsContact O-CG 3.32Å; N156-K160 WeakPolarHBondContact O-CG 3.35Å
157	Y	60	Low	67.9	Low	64 Å²	64	63.4 Å²	63.4	25%	0.251	30%	0.296	S	S	.	.	H	α-helix	trans	-87.5	-37	173	-69.4	-89.5	0	0	0	111.4	I153 Q154 Q155 K160	I153-Y157 HydrophobicContact CG2-CE2 3.89Å; I153-Y157 VanDerWaalsContact O-CD2 3.24Å; I153-Y157 WeakPolarHBondContact O-CD2 3.35Å; Q154-Y157 WeakPolarHBondContact O-CA 3.45Å; Q154-Y157 WeakPolarHBondContact O-CB 2.89Å; Q154-Y157 PolarHBondContact O-N 3.5Å; Q155-Y157 PolarHBondContact O-N 3.37Å; Y157-K160 CarbonylContact O-C 3.58Å; Y157-K160 WeakPolarHBondContact O-CA 3.24Å; Y157-K160 VanDerWaalsContact O-CB 3.31Å; Y157-K160 WeakPolarHBondContact O-CB 3.5Å; Y157-K160 PolarHBondContact O-N 3.21Å; Y157-K160 VanDerWaalsContact O-N 3.11Å
158	V	54.7	Low	67.6	Low	46 Å²	46	67.8 Å²	67.8	28%	0.279	31%	0.313	S	S	.	.	H	α-helix	trans	-67.2	-38.7	173.7	-179.5	0	0	0	0	111.1	Q154 Q155 K160 E161	Q154-V158 PolarHBondContact O-N 2.94Å; Q154-V158 VanDerWaalsContact O-N 3.09Å; Q155-V158 PolarHBondContact O-N 3.47Å; V158-K160 PolarHBondContact O-N 3.18Å; V158-K160 VanDerWaalsContact O-N 3.12Å; V158-E161 WeakPolarHBondContact CG1-OE2 3.44Å; V158-E161 WeakPolarHBondContact O-CB 3.2Å; V158-E161 PolarHBondContact O-N 3.06Å
159	E	55.3	Low	67.6	Low	104 Å²	104	71.5 Å²	71.5	49%	0.486	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-65.2	-20.8	173.2	-163.5	62.2	-148.9	0	0	112.1	Q155 E161	Q155-E159 PolarHBondContact O-N 3.03Å; E159-E161 VanDerWaalsContact C-N 3.29Å
160	K	55.8	Low	67.5	Low	98 Å²	98	68.2 Å²	68.2	43%	0.426	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-81.6	1.2	171	-69.1	173.2	-174.8	175.4	0	113.4	N156 Y157 V158 R162 R163	N156-K160 WeakPolarHBondContact O-CD 3.45Å; N156-K160 VanDerWaalsContact O-CG 3.32Å; N156-K160 WeakPolarHBondContact O-CG 3.35Å; Y157-K160 CarbonylContact O-C 3.58Å; Y157-K160 WeakPolarHBondContact O-CA 3.24Å; Y157-K160 VanDerWaalsContact O-CB 3.31Å; Y157-K160 WeakPolarHBondContact O-CB 3.5Å; Y157-K160 PolarHBondContact O-N 3.21Å; Y157-K160 VanDerWaalsContact O-N 3.11Å; V158-K160 PolarHBondContact O-N 3.18Å; V158-K160 VanDerWaalsContact O-N 3.12Å; K160-R162 PolarHBondContact O-N 3.04Å; K160-R162 VanDerWaalsContact O-N 3.17Å; K160-R163 WeakPolarHBondContact O-CA 3.48Å; K160-R163 WeakPolarHBondContact O-CB 3.27Å; K160-R163 PolarHBondContact O-N 3.02Å
161	E	52.8	Low	67.8	Low	97 Å²	97	67.2 Å²	67.2	45%	0.453	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-62	-18.9	174.2	-163.4	-176.6	135.6	0	0	112.7	V158 E159 R163 M164 E215	V158-E161 WeakPolarHBondContact CG1-OE2 3.44Å; V158-E161 WeakPolarHBondContact O-CB 3.2Å; V158-E161 PolarHBondContact O-N 3.06Å; E159-E161 VanDerWaalsContact C-N 3.29Å; E161-R163 PolarHBondContact O-N 3.09Å; E161-M164 PolarHBondContact O-N 2.91Å; E161-M164 VanDerWaalsContact O-N 3.12Å; E161-E215 VanDerWaalsContact CD-OE1 3.23Å; E161-E215 VanDerWaalsContact CG-OE1 3.27Å; E161-E215 WeakPolarHBondContact CG-OE1 3.22Å
162	R	58	Low	68.1	Low	185 Å²	185	71.8 Å²	71.8	70%	0.698	34%	0.336	S	S	*	.	H	α-helix	trans	-51.7	-17.5	159.8	-90.5	-178.6	162.4	174.6	-2	113.9	K160 M164 T165 L166	K160-R162 PolarHBondContact O-N 3.04Å; K160-R162 VanDerWaalsContact O-N 3.17Å; R162-M164 PolarHBondContact O-N 3.14Å; R162-T165 PolarHBondContact O-N 3.33Å; R162-L166 HydrophobicContact CB-CD1 4.43Å; R162-L166 WeakPolarHBondContact O-CB 3.45Å; R162-L166 VanDerWaalsContact O-CG 3.27Å; R162-L166 WeakPolarHBondContact O-CG 3.44Å; R162-L166 PolarHBondContact O-N 3.17Å
163	R	64.5	Low	68.4	Low	41 Å²	41	69.6 Å²	69.6	16%	0.155	33%	0.33	C	S	.	.	H	α-helix	trans	-56.4	-35.8	174.7	-179.3	177.6	-61.7	-179.3	2.1	111.8	K160 E161 L166 W167 M267 P269 Y394	K160-R163 WeakPolarHBondContact O-CA 3.48Å; K160-R163 WeakPolarHBondContact O-CB 3.27Å; K160-R163 PolarHBondContact O-N 3.02Å; E161-R163 PolarHBondContact O-N 3.09Å; R163-L166 PolarHBondContact O-N 2.97Å; R163-W167 WeakPolarHBondContact O-CA 3.44Å; R163-W167 WeakPolarHBondContact O-CB 3.46Å; R163-W167 PolarHBondContact O-N 3.39Å; R163-M267 PolarHBondContact NH1-O 3.12Å; R163-P269 HydrophobicContact CG-CG 4.41Å; R163-Y394 HydrophobicContact CG-CE1 4.28Å; R163-Y394 WeakPolarHBondContact CG-OH 3.39Å
164	M	68.7	Low	69.1	Low	46 Å²	46	66.9 Å²	66.9	23%	0.227	31%	0.314	C	S	.	.	H	α-helix	trans	-68	-43.3	-179.5	-159.7	-177.2	-61	0	0	111.8	E161 R162 W168 L208 R212 E215	E161-M164 PolarHBondContact O-N 2.91Å; E161-M164 VanDerWaalsContact O-N 3.12Å; R162-M164 PolarHBondContact O-N 3.14Å; M164-W168 PolarHBondContact O-N 3.37Å; M164-L208 HydrophobicContact CE-CD1 4.5Å; M164-L208 HydrophobicContact CG-CD1 3.54Å; M164-L208 HydrophobicContact SD-CD1 3.78Å; M164-R212 HydrophobicContact CE-CG 3.99Å; M164-E215 WeakPolarHBondContact CE-OE2 3.41Å
165	T	69.7	Low	70.1	Confident	92 Å²	92	67 Å²	67	56%	0.564	32%	0.315	S	S	*	.	H	α-helix	trans	-66.2	-45.5	174.3	-47.5	0	0	0	0	111.6	R162 W167 W168 L169	R162-T165 PolarHBondContact O-N 3.33Å; T165-W167 VanDerWaalsContact C-N 3.32Å; T165-W167 PolarHBondContact O-N 3.38Å; T165-W168 PolarHBondContact O-N 2.92Å; T165-L169 HydrophobicContact CG2-CD1 4.4Å; T165-L169 WeakPolarHBondContact O-CG 3.36Å; T165-L169 PolarHBondContact O-N 3.28Å
166	L	72.8	Confident	71.1	Confident	81 Å²	81	68.6 Å²	68.6	42%	0.424	32%	0.322	S	S	.	.	H	α-helix	trans	-65.1	-36.2	178.6	-69.2	172.7	0	0	0	112.1	R162 R163 S170	R162-L166 HydrophobicContact CB-CD1 4.43Å; R162-L166 WeakPolarHBondContact O-CB 3.45Å; R162-L166 VanDerWaalsContact O-CG 3.27Å; R162-L166 WeakPolarHBondContact O-CG 3.44Å; R162-L166 PolarHBondContact O-N 3.17Å; R163-L166 PolarHBondContact O-N 2.97Å; L166-S170 WeakPolarHBondContact O-CB 3.48Å; L166-S170 PolarHBondContact O-N 3.22Å
167	W	76.9	Confident	72.2	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.7	-52	173.3	166.8	-105.1	0	0	0	111.4	R163 T165 L169 S170 V171 T207 P269 L271 Y394	R163-W167 WeakPolarHBondContact O-CA 3.44Å; R163-W167 WeakPolarHBondContact O-CB 3.46Å; R163-W167 PolarHBondContact O-N 3.39Å; T165-W167 VanDerWaalsContact C-N 3.32Å; T165-W167 PolarHBondContact O-N 3.38Å; W167-L169 VanDerWaalsContact C-N 3.31Å; W167-L169 PolarHBondContact O-N 2.59Å; W167-S170 WeakPolarHBondContact O-CA 3.33Å; W167-S170 VanDerWaalsContact O-CB 3.3Å; W167-S170 WeakPolarHBondContact O-CB 3.39Å; W167-S170 PolarHBondContact O-N 2.74Å; W167-V171 HydrophobicContact CD2-CG2 4.1Å; W167-V171 HydrophobicContact CZ2-CG2 4.03Å; W167-V171 WeakPolarHBondContact O-CG2 3.44Å; W167-V171 PolarHBondContact O-N 2.94Å; W167-T207 HydrophobicContact CH2-CG2 3.73Å; W167-T207 HydrophobicContact CZ2-CG2 3.64Å; W167-P269 HydrophobicContact CD2-CB 4.18Å; W167-P269 HydrophobicContact CD2-CG 4.3Å; W167-P269 HydrophobicContact CE3-CB 3.7Å; W167-P269 HydrophobicContact CE3-CG 3.74Å; W167-P269 HydrophobicContact CH2-CB 3.9Å; W167-P269 HydrophobicContact CZ2-CB 4.4Å; W167-P269 HydrophobicContact CZ3-CB 3.57Å; W167-P269 HydrophobicContact CZ3-CG 4.05Å; W167-L271 HydrophobicContact CH2-CD1 3.99Å; W167-L271 HydrophobicContact CH2-CD2 3.26Å; W167-L271 HydrophobicContact CH2-CG 3.33Å; W167-L271 HydrophobicContact CZ2-CD2 3.78Å; W167-L271 HydrophobicContact CZ2-CG 4.26Å; W167-L271 HydrophobicContact CZ3-CD1 4Å; W167-L271 HydrophobicContact CZ3-CD2 4.1Å; W167-L271 HydrophobicContact CZ3-CG 3.64Å; W167-Y394 HydrophobicContact CB-CE2 4.33Å; W167-Y394 HydrophobicContact CE3-CD1 4.46Å; W167-Y394 AromaticContact CE3-CD2 3.56Å; W167-Y394 HydrophobicContact CE3-CD2 3.56Å; W167-Y394 HydrophobicContact CE3-CE2 4.29Å; W167-Y394 AromaticContact CE3-CG 3.65Å; W167-Y394 HydrophobicContact CE3-CG 3.65Å; W167-Y394 HydrophobicContact CZ3-CD2 4.21Å; W167-Y394 AromaticContact CZ3-CG 3.91Å; W167-Y394 HydrophobicContact CZ3-CG 3.91Å
168	W	77.6	Confident	73.5	Confident	93 Å²	93	61.2 Å²	61.2	35%	0.352	29%	0.287	S	S	.	.	H	α-helix	trans	-58.1	-43.6	178	-96.9	115	0	0	0	112.4	M164 T165 S170 V171 K172 L208	M164-W168 PolarHBondContact O-N 3.37Å; T165-W168 PolarHBondContact O-N 2.92Å; W168-S170 VanDerWaalsContact C-N 3.31Å; W168-S170 PolarHBondContact O-N 2.96Å; W168-V171 PolarHBondContact O-N 3.1Å; W168-K172 WeakPolarHBondContact O-CG 3.48Å; W168-K172 PolarHBondContact O-N 2.87Å; W168-L208 HydrophobicContact CZ2-CD2 3.77Å
169	L	78.8	Confident	75.1	Confident	95 Å²	95	62.7 Å²	62.7	50%	0.497	29%	0.29	S	S	.	.	H	α-helix	trans	-61.5	-39.3	174.1	-70.9	171.5	0	0	0	112.1	T165 W167 L173	T165-L169 HydrophobicContact CG2-CD1 4.4Å; T165-L169 WeakPolarHBondContact O-CG 3.36Å; T165-L169 PolarHBondContact O-N 3.28Å; W167-L169 VanDerWaalsContact C-N 3.31Å; W167-L169 PolarHBondContact O-N 2.59Å; L169-L173 WeakPolarHBondContact O-CB 3.26Å; L169-L173 PolarHBondContact O-N 3.33Å
170	S	78.3	Confident	76.5	Confident	16 Å²	16	60.9 Å²	60.9	11%	0.112	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-44.5	176.3	-179.9	0	0	0	0	111.9	L166 W167 W168 L173 R174	L166-S170 WeakPolarHBondContact O-CB 3.48Å; L166-S170 PolarHBondContact O-N 3.22Å; W167-S170 WeakPolarHBondContact O-CA 3.33Å; W167-S170 VanDerWaalsContact O-CB 3.3Å; W167-S170 WeakPolarHBondContact O-CB 3.39Å; W167-S170 PolarHBondContact O-N 2.74Å; W168-S170 VanDerWaalsContact C-N 3.31Å; W168-S170 PolarHBondContact O-N 2.96Å; S170-L173 PolarHBondContact O-N 3.03Å; S170-R174 WeakPolarHBondContact O-CB 3.33Å; S170-R174 PolarHBondContact O-N 3.43Å
171	V	83.4	Confident	77.8	Confident	2 Å²	2	57 Å²	57	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-61.9	-47.6	177	173.3	0	0	0	0	110.3	W167 W168 L173 R174 E175 L200 S204 L271	W167-V171 HydrophobicContact CD2-CG2 4.1Å; W167-V171 HydrophobicContact CZ2-CG2 4.03Å; W167-V171 WeakPolarHBondContact O-CG2 3.44Å; W167-V171 PolarHBondContact O-N 2.94Å; W168-V171 PolarHBondContact O-N 3.1Å; V171-L173 PolarHBondContact O-N 3.17Å; V171-R174 WeakPolarHBondContact O-CB 3.49Å; V171-R174 PolarHBondContact O-N 2.72Å; V171-R174 VanDerWaalsContact O-N 3.12Å; V171-E175 PolarHBondContact O-N 3.08Å; V171-L200 HydrophobicContact CG1-CG 4.37Å; V171-S204 WeakPolarHBondContact CG2-OG 3.28Å; V171-L271 HydrophobicContact CG2-CD1 4.11Å
172	K	84.7	Confident	79.3	Confident	96 Å²	96	52.7 Å²	52.7	42%	0.417	24%	0.243	S	C	.	.	H	α-helix	trans	-61.3	-44.8	178.6	-72.6	-73.4	155.7	-155.9	0	112.6	W168 R174 E175 E176	W168-K172 WeakPolarHBondContact O-CG 3.48Å; W168-K172 PolarHBondContact O-N 2.87Å; K172-R174 PolarHBondContact O-N 2.82Å; K172-E175 IonicContact NZ-OE1 3.67Å; K172-E175 IonicContact NZ-OE2 3.78Å; K172-E175 PolarHBondContact NZ-OE2 3.38Å; K172-E175 PolarHBondContact O-N 3.29Å; K172-E176 PolarHBondContact O-N 3.27Å
173	L	80.9	Confident	80.3	Confident	61 Å²	61	46.7 Å²	46.7	32%	0.319	24%	0.238	S	C	.	.	H	α-helix	trans	-60.2	-39.6	175.4	-177.8	62.9	0	0	0	111.1	L169 S170 V171 E176 V177	L169-L173 WeakPolarHBondContact O-CB 3.26Å; L169-L173 PolarHBondContact O-N 3.33Å; S170-L173 PolarHBondContact O-N 3.03Å; V171-L173 PolarHBondContact O-N 3.17Å; L173-E176 PolarHBondContact O-N 2.91Å; L173-V177 VanDerWaalsContact O-CG2 3.3Å; L173-V177 WeakPolarHBondContact O-CG2 3.44Å; L173-V177 PolarHBondContact O-N 3.42Å
174	R	84.2	Confident	80.8	Confident	22 Å²	22	49.7 Å²	49.7	8%	0.083	25%	0.252	C	S	.	.	H	α-helix	trans	-67.1	-41.1	179.6	-162.6	173.9	-171.5	73.9	0.1	112.1	S170 V171 K172 E176 V177 I178 L200 I395 L423 I424	S170-R174 WeakPolarHBondContact O-CB 3.33Å; S170-R174 PolarHBondContact O-N 3.43Å; V171-R174 WeakPolarHBondContact O-CB 3.49Å; V171-R174 PolarHBondContact O-N 2.72Å; V171-R174 VanDerWaalsContact O-N 3.12Å; K172-R174 PolarHBondContact O-N 2.82Å; R174-E176 VanDerWaalsContact C-N 3.31Å; R174-E176 PolarHBondContact O-N 3.31Å; R174-V177 PolarHBondContact O-N 3.46Å; R174-I178 HydrophobicContact CG-CD1 4.21Å; R174-I178 WeakPolarHBondContact O-CG1 3.12Å; R174-I178 PolarHBondContact O-N 3.38Å; R174-L200 HydrophobicContact CB-CD2 4.07Å; R174-L200 HydrophobicContact CG-CD2 4.11Å; R174-I395 VanDerWaalsContact NH1-CG1 3.34Å; R174-L423 PolarHBondContact NH2-O 3.44Å; R174-I424 PolarHBondContact NH1-O 2.57Å
175	E	88.9	Confident	81	Confident	5 Å²	5	48.9 Å²	48.9	2%	0.023	25%	0.248	C	C	.	.	H	α-helix	trans	-53.7	-48.8	171.8	-70.9	-177.2	148.5	0	0	111	V171 K172 V177 I178 K179 I197 L200 R201	V171-E175 PolarHBondContact O-N 3.08Å; K172-E175 IonicContact NZ-OE1 3.67Å; K172-E175 IonicContact NZ-OE2 3.78Å; K172-E175 PolarHBondContact NZ-OE2 3.38Å; K172-E175 PolarHBondContact O-N 3.29Å; E175-V177 VanDerWaalsContact C-N 3.34Å; E175-V177 PolarHBondContact O-N 2.93Å; E175-I178 PolarHBondContact O-N 3.31Å; E175-K179 WeakPolarHBondContact O-CG 3.09Å; E175-K179 PolarHBondContact O-N 2.85Å; E175-I197 HydrophobicContact CG-CG2 4.42Å; E175-L200 HydrophobicContact CG-CD2 3.71Å; E175-R201 WeakPolarHBondContact OE1-CG 3.24Å; E175-R201 IonicContact OE1-CZ 2.75Å; E175-R201 IonicContact OE1-NE 2.82Å; E175-R201 PolarHBondContact OE1-NE 2.83Å; E175-R201 IonicContact OE1-NH2 2.76Å
176	E	86.7	Confident	81	Confident	96 Å²	96	50.6 Å²	50.6	45%	0.449	26%	0.262	S	S	.	.	H	α-helix	trans	-64.6	-37.2	-179.7	-69	-53.2	124.1	0	0	112.9	K172 L173 R174 K179 R180	K172-E176 PolarHBondContact O-N 3.27Å; L173-E176 PolarHBondContact O-N 2.91Å; R174-E176 VanDerWaalsContact C-N 3.31Å; R174-E176 PolarHBondContact O-N 3.31Å; E176-K179 IonicContact OE1-NZ 3Å; E176-K179 PolarHBondContact OE1-NZ 3.13Å; E176-R180 PolarHBondContact O-N 3.25Å
177	V	84.4	Confident	81.3	Confident	7 Å²	7	51.3 Å²	51.3	4%	0.042	27%	0.272	C	S	.	.	H	α-helix	trans	-71	-40.2	176.6	-176.2	0	0	0	0	111.4	L173 R174 E175 R180 V181 L423 S426	L173-V177 VanDerWaalsContact O-CG2 3.3Å; L173-V177 WeakPolarHBondContact O-CG2 3.44Å; L173-V177 PolarHBondContact O-N 3.42Å; R174-V177 PolarHBondContact O-N 3.46Å; E175-V177 VanDerWaalsContact C-N 3.34Å; E175-V177 PolarHBondContact O-N 2.93Å; V177-R180 PolarHBondContact O-N 3.37Å; V177-V181 HydrophobicContact CG1-CG2 4.3Å; V177-V181 WeakPolarHBondContact O-CG2 2.97Å; V177-V181 PolarHBondContact O-N 2.8Å; V177-L423 HydrophobicContact CB-CD2 4.15Å; V177-L423 HydrophobicContact CG1-CD2 3.28Å; V177-S426 VanDerWaalsContact CG1-CB 3.41Å
178	I	86.9	Confident	81.2	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.015	30%	0.3	C	S	.	.	H	α-helix	trans	-57.8	-51.8	174.6	-72.1	163.6	0	0	0	109.8	R174 E175 R180 V181 Y182 H196 I197 L200	R174-I178 HydrophobicContact CG-CD1 4.21Å; R174-I178 WeakPolarHBondContact O-CG1 3.12Å; R174-I178 PolarHBondContact O-N 3.38Å; E175-I178 PolarHBondContact O-N 3.31Å; I178-R180 PolarHBondContact O-N 2.91Å; I178-R180 VanDerWaalsContact O-N 3.17Å; I178-V181 PolarHBondContact O-N 3.08Å; I178-Y182 HydrophobicContact CG2-CD2 3.78Å; I178-Y182 HydrophobicContact CG2-CE2 3.84Å; I178-Y182 WeakPolarHBondContact O-CD2 3.45Å; I178-Y182 PolarHBondContact O-N 3.06Å; I178-Y182 VanDerWaalsContact O-N 3.09Å; I178-H196 HydrophobicContact CG2-CB 4.34Å; I178-I197 HydrophobicContact CG2-CG1 3.99Å; I178-L200 HydrophobicContact CD1-CD2 3.72Å
179	K	88.1	Confident	81.4	Confident	77 Å²	77	52.8 Å²	52.8	34%	0.335	29%	0.292	S	S	.	.	H	α-helix	trans	-51.4	-43.7	177.4	-71.1	173.9	-172	169.5	0	112.1	E175 E176 G183 I197	E175-K179 WeakPolarHBondContact O-CG 3.09Å; E175-K179 PolarHBondContact O-N 2.85Å; E176-K179 IonicContact OE1-NZ 3Å; E176-K179 PolarHBondContact OE1-NZ 3.13Å; K179-G183 PolarHBondContact O-N 2.76Å; K179-I197 HydrophobicContact CD-CD1 4.38Å; K179-I197 HydrophobicContact CG-CD1 3.55Å
180	R	84.1	Confident	81.7	Confident	65 Å²	65	50.7 Å²	50.7	25%	0.245	29%	0.285	C	S	.	.	H	α-helix	trans	-67.3	-41.8	179.5	-168.2	-168.4	-57.2	153	3.4	113.1	E176 V177 I178 G183 K184 Y427 P429	E176-R180 PolarHBondContact O-N 3.25Å; V177-R180 PolarHBondContact O-N 3.37Å; I178-R180 PolarHBondContact O-N 2.91Å; I178-R180 VanDerWaalsContact O-N 3.17Å; R180-G183 PolarHBondContact O-N 3.32Å; R180-K184 WeakPolarHBondContact O-CG 3.49Å; R180-K184 PolarHBondContact O-N 3.49Å; R180-Y427 PolarHBondContact NH1-O 3.3Å; R180-P429 VanDerWaalsContact CZ-CD 3.5Å
181	V	83.8	Confident	82.1	Confident	17 Å²	17	57 Å²	57	10%	0.103	31%	0.313	C	S	.	.	H	α-helix	trans	-67.7	-42.6	-177.5	172.1	0	0	0	0	111.2	V177 I178 K184 I276 L279 L423	V177-V181 HydrophobicContact CG1-CG2 4.3Å; V177-V181 WeakPolarHBondContact O-CG2 2.97Å; V177-V181 PolarHBondContact O-N 2.8Å; I178-V181 PolarHBondContact O-N 3.08Å; V181-K184 PolarHBondContact O-N 3.49Å; V181-I276 HydrophobicContact CG1-CD1 3.87Å; V181-I276 HydrophobicContact CG1-CG2 4.34Å; V181-L279 HydrophobicContact CG1-CD1 4.29Å; V181-L423 HydrophobicContact CG2-CD1 4.46Å; V181-L423 HydrophobicContact CG2-CD2 4.28Å
182	Y	83.2	Confident	82.3	Confident	7 Å²	7	60.3 Å²	60.3	3%	0.027	33%	0.328	C	S	.	.	H	α-helix	trans	-70.9	-35.6	174.7	-78.5	-97.7	0	0	0	112	I178 K184 Q185 L189 E192 R193 H196 I276	I178-Y182 HydrophobicContact CG2-CD2 3.78Å; I178-Y182 HydrophobicContact CG2-CE2 3.84Å; I178-Y182 WeakPolarHBondContact O-CD2 3.45Å; I178-Y182 PolarHBondContact O-N 3.06Å; I178-Y182 VanDerWaalsContact O-N 3.09Å; Y182-K184 PolarHBondContact O-N 3.49Å; Y182-Q185 WeakPolarHBondContact O-CB 3.49Å; Y182-Q185 PolarHBondContact O-N 3.32Å; Y182-L189 HydrophobicContact CD1-CB 3.85Å; Y182-L189 WeakPolarHBondContact CD1-O 2.97Å; Y182-L189 HydrophobicContact CE1-CB 4.35Å; Y182-E192 HydrophobicContact CD1-CB 4.5Å; Y182-E192 HydrophobicContact CE1-CB 3.77Å; Y182-R193 HydrophobicContact CD1-CB 3.77Å; Y182-R193 HydrophobicContact CD2-CB 4.28Å; Y182-R193 HydrophobicContact CD2-CG 4.35Å; Y182-R193 HydrophobicContact CE1-CB 4.44Å; Y182-R193 HydrophobicContact CG-CB 3.67Å; Y182-R193 HydrophobicContact CG-CG 4.04Å; Y182-H196 HydrophobicContact CE2-CB 4.48Å; Y182-H196 AromaticContact CE2-ND1 3.57Å; Y182-H196 AromaticContact CZ-ND1 3.73Å; Y182-H196 PolarHBondContact OH-ND1 3Å; Y182-I276 HydrophobicContact CD2-CG2 4.5Å; Y182-I276 HydrophobicContact CE1-CG2 4.28Å; Y182-I276 HydrophobicContact CE2-CB 4.45Å; Y182-I276 HydrophobicContact CE2-CD1 3.97Å; Y182-I276 HydrophobicContact CE2-CG1 3.88Å; Y182-I276 HydrophobicContact CE2-CG2 3.93Å
183	G	80.2	Confident	82.6	Confident	58 Å²	58	58.9 Å²	58.9	60%	0.598	32%	0.32	S	S	*	.	H	α-helix	trans	-65.1	-16.1	176	0	0	0	0	0	114.9	K179 R180 Q185	K179-G183 PolarHBondContact O-N 2.76Å; R180-G183 PolarHBondContact O-N 3.32Å; G183-Q185 VanDerWaalsContact C-N 3.32Å
184	K	75.6	Confident	83	Confident	104 Å²	104	59.7 Å²	59.7	45%	0.452	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	1.6	173.1	-71.9	175.8	178.3	178.6	0	113.3	R180 V181 Y182 Y412	R180-K184 WeakPolarHBondContact O-CG 3.49Å; R180-K184 PolarHBondContact O-N 3.49Å; V181-K184 PolarHBondContact O-N 3.49Å; Y182-K184 PolarHBondContact O-N 3.49Å; K184-Y412 PolarHBondContact NZ-OH 3.39Å
185	Q	72.2	Confident	83.3	Confident	29 Å²	29	64.6 Å²	64.6	14%	0.136	35%	0.348	C	S	.	.			trans	-89.9	137	-176.7	-144.3	148.7	12.3	0	0	109.8	Y182 G183 P187 P188 L189 P277	Y182-Q185 WeakPolarHBondContact O-CB 3.49Å; Y182-Q185 PolarHBondContact O-N 3.32Å; G183-Q185 VanDerWaalsContact C-N 3.32Å; Q185-P187 CarbonylContact C-O 3.22Å; Q185-P187 CarbonylContact O-C 3.56Å; Q185-P188 WeakPolarHBondContact O-CA 3.38Å; Q185-L189 HydrophobicContact CB-CG 4.48Å; Q185-L189 HydrophobicContact CG-CD1 4.11Å; Q185-L189 HydrophobicContact CG-CG 4.05Å; Q185-L189 VanDerWaalsContact OE1-CD1 3.31Å; Q185-P277 PolarHBondContact NE2-O 3Å
186	C	69.4	Low	83.4	Confident	128 Å²	128	65.1 Å²	65.1	87%	0.865	35%	0.351	S	S	*	.	S	Bend	trans	-127.7	115.7	176.4	-167.9	0	0	0	0	107.7
187	P	78.2	Confident	83.6	Confident	96 Å²	96	61 Å²	61	62%	0.623	33%	0.332	S	S	*	.	S	Bend	cis	-65.3	159.3	-2.3	30.3	-35.6	0	0	0	112.9	Q185 L189	Q185-P187 CarbonylContact C-O 3.22Å; Q185-P187 CarbonylContact O-C 3.56Å; P187-L189 PolarHBondContact O-N 3.48Å
188	P	75	Confident	83.9	Confident	92 Å²	92	67.1 Å²	67.1	60%	0.597	36%	0.36	S	S	*	.			trans	-66	125.5	177.7	25.4	-32.1	0	0	0	110.9	Q185 S190	Q185-P188 WeakPolarHBondContact O-CA 3.38Å; P188-S190 PolarHBondContact O-N 3.34Å
189	L	82.9	Confident	84.1	Confident	33 Å²	33	69.3 Å²	69.3	17%	0.173	38%	0.375	C	S	.	.			trans	-92.3	65.3	177.2	-64.3	-168.4	0	0	0	110.3	Y182 Q185 P187 E192 R193 P277	Y182-L189 HydrophobicContact CD1-CB 3.85Å; Y182-L189 WeakPolarHBondContact CD1-O 2.97Å; Y182-L189 HydrophobicContact CE1-CB 4.35Å; Q185-L189 HydrophobicContact CB-CG 4.48Å; Q185-L189 HydrophobicContact CG-CD1 4.11Å; Q185-L189 HydrophobicContact CG-CG 4.05Å; Q185-L189 VanDerWaalsContact OE1-CD1 3.31Å; P187-L189 PolarHBondContact O-N 3.48Å; L189-E192 WeakPolarHBondContact CA-OE2 3.24Å; L189-E192 HydrophobicContact CB-CB 4.4Å; L189-E192 WeakPolarHBondContact CB-OE2 3.26Å; L189-R193 VanDerWaalsContact O-CB 3.26Å; L189-R193 WeakPolarHBondContact O-CB 3.46Å; L189-R193 PolarHBondContact O-N 2.82Å; L189-R193 VanDerWaalsContact O-N 3.08Å; L189-P277 HydrophobicContact CD1-CB 4.19Å
190	S	85.2	Confident	84.2	Confident	51 Å²	51	65.8 Å²	65.8	36%	0.357	36%	0.36	S	S	.	.	H	α-helix	trans	-68.8	-39.7	-173.4	-66.2	0	0	0	0	112.8	P188 R193 D194	P188-S190 PolarHBondContact O-N 3.34Å; S190-R193 WeakPolarHBondContact O-CB 3.49Å; S190-R193 PolarHBondContact O-N 2.99Å; S190-D194 PolarHBondContact O-N 3.46Å
191	E	86.6	Confident	84.5	Confident	149 Å²	149	68.3 Å²	68.3	70%	0.696	37%	0.369	S	S	*	.	H	α-helix	trans	-67.1	-47.3	179.7	-67.8	-179.8	-174.5	0	0	111.1	R193 D194 Q195	E191-R193 VanDerWaalsContact C-N 3.28Å; E191-R193 PolarHBondContact O-N 3.34Å; E191-D194 PolarHBondContact O-N 3.05Å; E191-Q195 WeakPolarHBondContact O-CG 3.44Å; E191-Q195 PolarHBondContact O-N 3.04Å
192	E	87.7	Confident	84.8	Confident	70 Å²	70	73.7 Å²	73.7	33%	0.327	39%	0.393	S	S	.	.	H	α-helix	trans	-65.4	-33.7	178.1	-59.8	93.1	148.2	0	0	111.9	Y182 L189 H196	Y182-E192 HydrophobicContact CD1-CB 4.5Å; Y182-E192 HydrophobicContact CE1-CB 3.77Å; L189-E192 WeakPolarHBondContact CA-OE2 3.24Å; L189-E192 HydrophobicContact CB-CB 4.4Å; L189-E192 WeakPolarHBondContact CB-OE2 3.26Å; E192-H196 VanDerWaalsContact O-CB 3.29Å; E192-H196 WeakPolarHBondContact O-CB 3.12Å; E192-H196 PolarHBondContact O-N 2.9Å
193	R	89.7	Confident	85.2	Confident	66 Å²	66	74.6 Å²	74.6	25%	0.249	40%	0.397	C	S	.	.	H	α-helix	trans	-61.3	-49.7	172.5	179	-162.2	68.8	-153.5	-6.6	110.7	Y182 L189 S190 E191 H196 I197	Y182-R193 HydrophobicContact CD1-CB 3.77Å; Y182-R193 HydrophobicContact CD2-CB 4.28Å; Y182-R193 HydrophobicContact CD2-CG 4.35Å; Y182-R193 HydrophobicContact CE1-CB 4.44Å; Y182-R193 HydrophobicContact CG-CB 3.67Å; Y182-R193 HydrophobicContact CG-CG 4.04Å; L189-R193 VanDerWaalsContact O-CB 3.26Å; L189-R193 WeakPolarHBondContact O-CB 3.46Å; L189-R193 PolarHBondContact O-N 2.82Å; L189-R193 VanDerWaalsContact O-N 3.08Å; S190-R193 WeakPolarHBondContact O-CB 3.49Å; S190-R193 PolarHBondContact O-N 2.99Å; E191-R193 VanDerWaalsContact C-N 3.28Å; E191-R193 PolarHBondContact O-N 3.34Å; R193-H196 PolarHBondContact O-N 3.4Å; R193-I197 HydrophobicContact CG-CD1 3.96Å; R193-I197 WeakPolarHBondContact O-CG1 3.45Å; R193-I197 PolarHBondContact O-N 2.95Å
194	D	90.1	Very high	85.5	Confident	78 Å²	78	71.9 Å²	71.9	42%	0.417	37%	0.369	S	S	.	.	H	α-helix	trans	-69.4	-39.8	-174	-66.8	-17.4	0	0	0	110.8	S190 E191 H196 I197 E198	S190-D194 PolarHBondContact O-N 3.46Å; E191-D194 PolarHBondContact O-N 3.05Å; D194-H196 PolarHBondContact O-N 3.2Å; D194-I197 PolarHBondContact O-N 3.15Å; D194-E198 WeakPolarHBondContact O-CB 3.34Å; D194-E198 PolarHBondContact O-N 3.13Å
195	Q	90.4	Very high	86.1	Confident	125 Å²	125	71.1 Å²	71.1	58%	0.584	37%	0.37	S	S	*	.	H	α-helix	trans	-59.4	-42.6	170.1	-70.9	174.2	9.6	0	0	112.5	E191 E198 C199	E191-Q195 WeakPolarHBondContact O-CG 3.44Å; E191-Q195 PolarHBondContact O-N 3.04Å; Q195-E198 PolarHBondContact O-N 3.43Å; Q195-C199 WeakPolarHBondContact O-CB 3.2Å; Q195-C199 PolarHBondContact O-N 3.39Å
196	H	91.1	Very high	86.9	Confident	16 Å²	16	72.8 Å²	72.8	7%	0.074	38%	0.383	C	S	.	.	H	α-helix	trans	-63.7	-43.8	176.9	-166.3	154.4	0	0	0	111	I178 Y182 E192 R193 D194 C199 L200	I178-H196 HydrophobicContact CG2-CB 4.34Å; Y182-H196 HydrophobicContact CE2-CB 4.48Å; Y182-H196 AromaticContact CE2-ND1 3.57Å; Y182-H196 AromaticContact CZ-ND1 3.73Å; Y182-H196 PolarHBondContact OH-ND1 3Å; E192-H196 VanDerWaalsContact O-CB 3.29Å; E192-H196 WeakPolarHBondContact O-CB 3.12Å; E192-H196 PolarHBondContact O-N 2.9Å; R193-H196 PolarHBondContact O-N 3.4Å; D194-H196 PolarHBondContact O-N 3.2Å; H196-C199 PolarHBondContact O-N 3Å; H196-L200 WeakPolarHBondContact O-CB 3.5Å; H196-L200 PolarHBondContact O-N 3.02Å
197	I	90.7	Very high	87.7	Confident	9 Å²	9	67.2 Å²	67.2	5%	0.046	34%	0.344	C	S	.	.	H	α-helix	trans	-63.8	-43	177.5	-68.7	167.5	0	0	0	110.9	E175 I178 K179 R193 D194 L200 R201	E175-I197 HydrophobicContact CG-CG2 4.42Å; I178-I197 HydrophobicContact CG2-CG1 3.99Å; K179-I197 HydrophobicContact CD-CD1 4.38Å; K179-I197 HydrophobicContact CG-CD1 3.55Å; R193-I197 HydrophobicContact CG-CD1 3.96Å; R193-I197 WeakPolarHBondContact O-CG1 3.45Å; R193-I197 PolarHBondContact O-N 2.95Å; D194-I197 PolarHBondContact O-N 3.15Å; I197-L200 PolarHBondContact O-N 2.95Å; I197-R201 WeakPolarHBondContact O-CG 3.44Å; I197-R201 PolarHBondContact O-N 3.43Å
198	E	91.7	Very high	87.9	Confident	136 Å²	136	63 Å²	63	64%	0.636	32%	0.317	S	S	*	.	H	α-helix	trans	-61.5	-45.6	176.6	-173.7	174.1	-170	0	0	111.5	D194 Q195 L200 R201 H202	D194-E198 WeakPolarHBondContact O-CB 3.34Å; D194-E198 PolarHBondContact O-N 3.13Å; Q195-E198 PolarHBondContact O-N 3.43Å; E198-L200 VanDerWaalsContact C-N 3.34Å; E198-L200 PolarHBondContact O-N 3.45Å; E198-R201 PolarHBondContact O-N 3.33Å; E198-H202 PolarHBondContact O-N 3.44Å
199	C	91	Very high	88.4	Confident	49 Å²	49	62.7 Å²	62.7	33%	0.331	31%	0.307	S	S	.	.	H	α-helix	trans	-61	-42.1	175.9	-168.8	0	0	0	0	112.1	Q195 H196 R201 H202 Q203 H274	Q195-C199 WeakPolarHBondContact O-CB 3.2Å; Q195-C199 PolarHBondContact O-N 3.39Å; H196-C199 PolarHBondContact O-N 3Å; C199-R201 PolarHBondContact O-N 2.79Å; C199-H202 PolarHBondContact O-N 2.89Å; C199-Q203 WeakPolarHBondContact O-CB 3.4Å; C199-Q203 PolarHBondContact O-N 2.94Å; C199-H274 PolarHBondContact SG-CE1 3.34Å; C199-H274 PolarHBondContact SG-NE2 2.96Å
200	L	89.9	Confident	88.4	Confident	4 Å²	4	65.9 Å²	65.9	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-43.9	174.5	173.3	62.8	0	0	0	111.6	V171 R174 E175 I178 H196 I197 E198 S204 L271	V171-L200 HydrophobicContact CG1-CG 4.37Å; R174-L200 HydrophobicContact CB-CD2 4.07Å; R174-L200 HydrophobicContact CG-CD2 4.11Å; E175-L200 HydrophobicContact CG-CD2 3.71Å; I178-L200 HydrophobicContact CD1-CD2 3.72Å; H196-L200 WeakPolarHBondContact O-CB 3.5Å; H196-L200 PolarHBondContact O-N 3.02Å; I197-L200 PolarHBondContact O-N 2.95Å; E198-L200 VanDerWaalsContact C-N 3.34Å; E198-L200 PolarHBondContact O-N 3.45Å; L200-S204 WeakPolarHBondContact O-CB 3.29Å; L200-S204 PolarHBondContact O-N 3.08Å; L200-L271 HydrophobicContact CD1-CD1 3.88Å; L200-L271 HydrophobicContact CD1-CD2 3.87Å; L200-L271 HydrophobicContact CD1-CG 4.37Å
201	R	90.6	Very high	88.1	Confident	117 Å²	117	64.2 Å²	64.2	44%	0.442	31%	0.309	S	S	.	.	H	α-helix	trans	-64.4	-46	177.6	-74.2	173.6	179.9	172.9	2	111.8	E175 I197 E198 C199 S204 N205	E175-R201 WeakPolarHBondContact OE1-CG 3.24Å; E175-R201 IonicContact OE1-CZ 2.75Å; E175-R201 IonicContact OE1-NE 2.82Å; E175-R201 PolarHBondContact OE1-NE 2.83Å; E175-R201 IonicContact OE1-NH2 2.76Å; I197-R201 WeakPolarHBondContact O-CG 3.44Å; I197-R201 PolarHBondContact O-N 3.43Å; E198-R201 PolarHBondContact O-N 3.33Å; C199-R201 PolarHBondContact O-N 2.79Å; R201-S204 WeakPolarHBondContact O-CB 3.33Å; R201-S204 PolarHBondContact O-N 3.03Å; R201-N205 VanDerWaalsContact O-CG 3.29Å; R201-N205 PolarHBondContact O-N 3.24Å; R201-N205 PolarHBondContact O-ND2 2.93Å
202	H	90.5	Very high	87.8	Confident	131 Å²	131	63.2 Å²	63.2	61%	0.606	30%	0.298	S	S	*	.	H	α-helix	trans	-60.2	-51.9	177.8	-178.6	75.8	0	0	0	110.8	E198 C199 S204 N205 T206	E198-H202 PolarHBondContact O-N 3.44Å; C199-H202 PolarHBondContact O-N 2.89Å; H202-S204 VanDerWaalsContact C-N 3.27Å; H202-S204 PolarHBondContact O-N 3.41Å; H202-N205 PolarHBondContact O-N 3.35Å; H202-T206 PolarHBondContact O-N 2.99Å; H202-T206 PolarHBondContact O-OG1 3.49Å
203	Q	89.9	Confident	87.7	Confident	25 Å²	25	65.9 Å²	65.9	12%	0.117	31%	0.309	C	S	.	.	H	α-helix	trans	-58.8	-40.2	176.5	-175	174.3	11.4	0	0	111.9	C199 T206 T207 R270 L271	C199-Q203 WeakPolarHBondContact O-CB 3.4Å; C199-Q203 PolarHBondContact O-N 2.94Å; Q203-T206 PolarHBondContact O-N 2.9Å; Q203-T207 WeakPolarHBondContact O-CB 3.15Å; Q203-T207 PolarHBondContact O-N 3.45Å; Q203-T207 PolarHBondContact O-OG1 3.42Å; Q203-R270 PolarHBondContact NE2-O 3.32Å; Q203-L271 HydrophobicContact CG-CD2 4.2Å
204	S	88.2	Confident	87.2	Confident	1 Å²	1	64 Å²	64	1%	0.007	31%	0.306	C	S	.	.	H	α-helix	trans	-60.7	-45.5	177.8	173.6	0	0	0	0	112.2	V171 L200 R201 H202 T207 L208	V171-S204 WeakPolarHBondContact CG2-OG 3.28Å; L200-S204 WeakPolarHBondContact O-CB 3.29Å; L200-S204 PolarHBondContact O-N 3.08Å; R201-S204 WeakPolarHBondContact O-CB 3.33Å; R201-S204 PolarHBondContact O-N 3.03Å; H202-S204 VanDerWaalsContact C-N 3.27Å; H202-S204 PolarHBondContact O-N 3.41Å; S204-T207 PolarHBondContact O-N 3.11Å; S204-L208 WeakPolarHBondContact O-CB 3.41Å; S204-L208 PolarHBondContact O-N 2.78Å
205	N	88.1	Confident	86.6	Confident	89 Å²	89	63 Å²	63	48%	0.476	30%	0.298	S	S	.	.	H	α-helix	trans	-67.2	-42.9	-179.8	-70.4	-16.3	0	0	0	111.7	R201 H202 T207 L208 E209	R201-N205 VanDerWaalsContact O-CG 3.29Å; R201-N205 PolarHBondContact O-N 3.24Å; R201-N205 PolarHBondContact O-ND2 2.93Å; H202-N205 PolarHBondContact O-N 3.35Å; N205-T207 PolarHBondContact O-N 3.4Å; N205-L208 WeakPolarHBondContact O-CB 3.22Å; N205-L208 PolarHBondContact O-N 2.92Å; N205-E209 PolarHBondContact O-N 3.38Å
206	T	88.9	Confident	86.2	Confident	64 Å²	64	60 Å²	60	39%	0.393	30%	0.295	S	S	.	.	H	α-helix	trans	-60.4	-46.4	175.1	-54.7	0	0	0	0	111.4	H202 Q203 L208 E209 E210	H202-T206 PolarHBondContact O-N 2.99Å; H202-T206 PolarHBondContact O-OG1 3.49Å; Q203-T206 PolarHBondContact O-N 2.9Å; T206-L208 VanDerWaalsContact C-N 3.31Å; T206-L208 PolarHBondContact O-N 3.05Å; T206-E209 PolarHBondContact O-N 3.49Å; T206-E210 PolarHBondContact O-N 2.81Å; T206-E210 VanDerWaalsContact O-N 3.14Å
207	T	84.8	Confident	85.8	Confident	10 Å²	10	62.5 Å²	62.5	6%	0.061	31%	0.312	C	S	.	.	H	α-helix	trans	-63.5	-37.6	177.8	-52	0	0	0	0	111.6	W167 Q203 S204 N205 E209 E210 L211 M267 P269	W167-T207 HydrophobicContact CH2-CG2 3.73Å; W167-T207 HydrophobicContact CZ2-CG2 3.64Å; Q203-T207 WeakPolarHBondContact O-CB 3.15Å; Q203-T207 PolarHBondContact O-N 3.45Å; Q203-T207 PolarHBondContact O-OG1 3.42Å; S204-T207 PolarHBondContact O-N 3.11Å; N205-T207 PolarHBondContact O-N 3.4Å; T207-E209 VanDerWaalsContact C-N 3.33Å; T207-E210 PolarHBondContact O-N 3.46Å; T207-L211 WeakPolarHBondContact O-CG 3.47Å; T207-L211 PolarHBondContact O-N 3.19Å; T207-M267 HydrophobicContact CG2-CE 3.71Å; T207-P269 HydrophobicContact CG2-CB 3.36Å
208	L	82.8	Confident	85.2	Confident	9 Å²	9	62.9 Å²	62.9	5%	0.047	31%	0.314	C	S	.	.	H	α-helix	trans	-64.2	-39.3	177.4	-178.7	66	0	0	0	111.9	M164 W168 S204 N205 T206 L211 R212	M164-L208 HydrophobicContact CE-CD1 4.5Å; M164-L208 HydrophobicContact CG-CD1 3.54Å; M164-L208 HydrophobicContact SD-CD1 3.78Å; W168-L208 HydrophobicContact CZ2-CD2 3.77Å; S204-L208 WeakPolarHBondContact O-CB 3.41Å; S204-L208 PolarHBondContact O-N 2.78Å; N205-L208 WeakPolarHBondContact O-CB 3.22Å; N205-L208 PolarHBondContact O-N 2.92Å; T206-L208 VanDerWaalsContact C-N 3.31Å; T206-L208 PolarHBondContact O-N 3.05Å; L208-L211 WeakPolarHBondContact O-CB 3.36Å; L208-L211 PolarHBondContact O-N 2.74Å; L208-R212 WeakPolarHBondContact O-CG 3.35Å; L208-R212 PolarHBondContact O-N 3.28Å
209	E	85.3	Confident	84.6	Confident	84 Å²	84	59.2 Å²	59.2	39%	0.393	30%	0.301	S	S	.	.	H	α-helix	trans	-66.6	-41.5	177.4	-173.9	55.9	-153.8	0	0	111.7	N205 T206 T207 L211 R212 K213	N205-E209 PolarHBondContact O-N 3.38Å; T206-E209 PolarHBondContact O-N 3.49Å; T207-E209 VanDerWaalsContact C-N 3.33Å; E209-L211 VanDerWaalsContact C-N 3.34Å; E209-L211 PolarHBondContact O-N 2.76Å; E209-R212 PolarHBondContact O-N 3.42Å; E209-K213 WeakPolarHBondContact O-CG 3.4Å; E209-K213 PolarHBondContact O-N 3.06Å; E209-K213 WeakPolarHBondContact OE1-CE 3.14Å
210	E	83.6	Confident	84.3	Confident	101 Å²	101	62.1 Å²	62.1	47%	0.472	31%	0.309	S	S	.	.	H	α-helix	trans	-62.7	-40.3	173	-67.7	175.9	173.2	0	0	112.1	T206 T207 K213 S214 M267	T206-E210 PolarHBondContact O-N 2.81Å; T206-E210 VanDerWaalsContact O-N 3.14Å; T207-E210 PolarHBondContact O-N 3.46Å; E210-K213 PolarHBondContact O-N 3.39Å; E210-S214 WeakPolarHBondContact O-CB 3.32Å; E210-S214 PolarHBondContact O-N 2.9Å; E210-M267 VanDerWaalsContact C-SD 3.58Å; E210-M267 HydrophobicContact CB-CE 3.61Å; E210-M267 HydrophobicContact CB-SD 3.44Å; E210-M267 WeakPolarHBondContact CB-SD 3.12Å; E210-M267 HydrophobicContact CG-CE 4.47Å; E210-M267 WeakPolarHBondContact OE2-CE 3.44Å
211	L	78.8	Confident	83.8	Confident	16 Å²	16	63.7 Å²	63.7	8%	0.084	32%	0.316	C	S	.	.	H	α-helix	trans	-61.1	-45.6	175.1	-77.2	172.4	0	0	0	111.7	T207 L208 E209 K213 S214 E215 M267 P269	T207-L211 WeakPolarHBondContact O-CG 3.47Å; T207-L211 PolarHBondContact O-N 3.19Å; L208-L211 WeakPolarHBondContact O-CB 3.36Å; L208-L211 PolarHBondContact O-N 2.74Å; E209-L211 VanDerWaalsContact C-N 3.34Å; E209-L211 PolarHBondContact O-N 2.76Å; L211-K213 VanDerWaalsContact C-N 3.34Å; L211-K213 PolarHBondContact O-N 3Å; L211-S214 PolarHBondContact O-N 3.3Å; L211-E215 WeakPolarHBondContact O-CB 3.24Å; L211-E215 PolarHBondContact O-N 3.29Å; L211-M267 HydrophobicContact CB-SD 4.49Å; L211-M267 HydrophobicContact CD2-CB 4.12Å; L211-M267 HydrophobicContact CD2-CG 4.21Å; L211-M267 WeakPolarHBondContact CD2-O 3.48Å; L211-M267 HydrophobicContact CD2-SD 3.85Å; L211-M267 HydrophobicContact CG-SD 3.92Å; L211-P269 HydrophobicContact CD1-CB 3.93Å; L211-P269 HydrophobicContact CD1-CG 4.06Å; L211-P269 HydrophobicContact CD2-CB 4.33Å; L211-P269 HydrophobicContact CD2-CG 4.28Å; L211-P269 HydrophobicContact CG-CB 4.36Å
212	R	81.1	Confident	83.4	Confident	127 Å²	127	60 Å²	60	48%	0.479	30%	0.302	S	S	.	.	H	α-helix	trans	-61.9	-41.3	177.7	-75.9	172.9	172.6	176.5	-4.6	112.1	M164 L208 E209 E215 A216	M164-R212 HydrophobicContact CE-CG 3.99Å; L208-R212 WeakPolarHBondContact O-CG 3.35Å; L208-R212 PolarHBondContact O-N 3.28Å; E209-R212 PolarHBondContact O-N 3.42Å; R212-E215 PolarHBondContact O-N 3.14Å; R212-A216 WeakPolarHBondContact O-CB 3.35Å; R212-A216 PolarHBondContact O-N 2.89Å
213	K	84.1	Confident	83	Confident	127 Å²	127	58.1 Å²	58.1	55%	0.552	30%	0.297	S	S	*	.	H	α-helix	trans	-62.7	-47.5	175	-72.1	173.5	-177.8	176.3	0	111.2	E209 E210 L211 E215 A216 T217	E209-K213 WeakPolarHBondContact O-CG 3.4Å; E209-K213 PolarHBondContact O-N 3.06Å; E209-K213 WeakPolarHBondContact OE1-CE 3.14Å; E210-K213 PolarHBondContact O-N 3.39Å; L211-K213 VanDerWaalsContact C-N 3.34Å; L211-K213 PolarHBondContact O-N 3Å; K213-E215 VanDerWaalsContact C-N 3.31Å; K213-E215 PolarHBondContact O-N 2.86Å; K213-A216 PolarHBondContact O-N 3.24Å; K213-T217 PolarHBondContact O-N 3.25Å; K213-T217 PolarHBondContact O-OG1 3.18Å; K213-T217 VanDerWaalsContact O-OG1 3.12Å
214	S	79.6	Confident	82.8	Confident	27 Å²	27	61.2 Å²	61.2	19%	0.189	31%	0.311	C	S	.	.	H	α-helix	trans	-59.7	-41.8	176.4	178.6	0	0	0	0	112	E210 L211 T217 I218	E210-S214 WeakPolarHBondContact O-CB 3.32Å; E210-S214 PolarHBondContact O-N 2.9Å; L211-S214 PolarHBondContact O-N 3.3Å; S214-T217 PolarHBondContact O-N 2.93Å; S214-I218 WeakPolarHBondContact O-CD1 3.32Å; S214-I218 VanDerWaalsContact O-CG1 3.24Å; S214-I218 WeakPolarHBondContact O-CG1 3.4Å; S214-I218 PolarHBondContact O-N 3.17Å
215	E	78.1	Confident	82.6	Confident	55 Å²	55	61.4 Å²	61.4	26%	0.257	31%	0.312	S	S	.	.	H	α-helix	trans	-63.5	-47.3	176.8	-178.1	179.9	-176.4	0	0	111.6	E161 M164 L211 R212 K213 T217 I218 V219	E161-E215 VanDerWaalsContact CD-OE1 3.23Å; E161-E215 VanDerWaalsContact CG-OE1 3.27Å; E161-E215 WeakPolarHBondContact CG-OE1 3.22Å; M164-E215 WeakPolarHBondContact CE-OE2 3.41Å; L211-E215 WeakPolarHBondContact O-CB 3.24Å; L211-E215 PolarHBondContact O-N 3.29Å; R212-E215 PolarHBondContact O-N 3.14Å; K213-E215 VanDerWaalsContact C-N 3.31Å; K213-E215 PolarHBondContact O-N 2.86Å; E215-T217 VanDerWaalsContact C-N 3.3Å; E215-T217 PolarHBondContact O-N 3.3Å; E215-I218 PolarHBondContact O-N 3.34Å; E215-I218 VanDerWaalsContact O-N 3.14Å; E215-V219 WeakPolarHBondContact O-CG2 3.38Å; E215-V219 PolarHBondContact O-N 3.09Å
216	A	82.4	Confident	82.4	Confident	62 Å²	62	58.3 Å²	58.3	51%	0.512	30%	0.297	S	S	.	.	H	α-helix	trans	-58.5	-41.3	176.3	0	0	0	0	0	112	R212 K213 H220	R212-A216 WeakPolarHBondContact O-CB 3.35Å; R212-A216 PolarHBondContact O-N 2.89Å; K213-A216 PolarHBondContact O-N 3.24Å; A216-H220 VanDerWaalsContact O-CB 3.27Å; A216-H220 WeakPolarHBondContact O-CB 3.43Å; A216-H220 PolarHBondContact O-N 2.75Å
217	T	82.6	Confident	82.4	Confident	70 Å²	70	60.4 Å²	60.4	43%	0.429	30%	0.302	S	S	.	.	H	α-helix	trans	-62.5	-46.7	174.1	-57.2	0	0	0	0	111.9	K213 S214 E215 V219 H220 E221	K213-T217 PolarHBondContact O-N 3.25Å; K213-T217 PolarHBondContact O-OG1 3.18Å; K213-T217 VanDerWaalsContact O-OG1 3.12Å; S214-T217 PolarHBondContact O-N 2.93Å; E215-T217 VanDerWaalsContact C-N 3.3Å; E215-T217 PolarHBondContact O-N 3.3Å; T217-V219 PolarHBondContact O-N 3.29Å; T217-H220 PolarHBondContact O-N 2.98Å; T217-E221 WeakPolarHBondContact O-CG 3.44Å; T217-E221 PolarHBondContact O-N 3.43Å
218	I	77.5	Confident	82.6	Confident	17 Å²	17	60.3 Å²	60.3	9%	0.087	30%	0.301	C	S	.	.	H	α-helix	trans	-60.9	-45	178.9	-68.7	162.4	0	0	0	111	S214 E215 R222 P264	S214-I218 WeakPolarHBondContact O-CD1 3.32Å; S214-I218 VanDerWaalsContact O-CG1 3.24Å; S214-I218 WeakPolarHBondContact O-CG1 3.4Å; S214-I218 PolarHBondContact O-N 3.17Å; E215-I218 PolarHBondContact O-N 3.34Å; E215-I218 VanDerWaalsContact O-N 3.14Å; I218-R222 VanDerWaalsContact O-CB 3.31Å; I218-R222 WeakPolarHBondContact O-CB 3.24Å; I218-R222 PolarHBondContact O-N 3.03Å; I218-P264 HydrophobicContact CG1-CB 3.84Å; I218-P264 HydrophobicContact CG1-CG 3.68Å
219	V	79.3	Confident	82.8	Confident	59 Å²	59	60 Å²	60	36%	0.358	30%	0.299	S	S	.	.	H	α-helix	trans	-64.2	-43.7	178.1	171.3	0	0	0	0	110.7	E215 T217 R222 N223	E215-V219 WeakPolarHBondContact O-CG2 3.38Å; E215-V219 PolarHBondContact O-N 3.09Å; T217-V219 PolarHBondContact O-N 3.29Å; V219-R222 PolarHBondContact O-N 3.44Å; V219-N223 PolarHBondContact O-N 3.45Å; V219-N223 PolarHBondContact O-ND2 2.87Å; V219-N223 PolarHBondContact O-OD1 3.28Å
220	H	84.3	Confident	82.8	Confident	109 Å²	109	61 Å²	61	51%	0.505	30%	0.304	S	S	.	.	H	α-helix	trans	-60.4	-49.6	178.1	-178.8	68.7	0	0	0	112.1	A216 T217 R222 N223 Q224	A216-H220 VanDerWaalsContact O-CB 3.27Å; A216-H220 WeakPolarHBondContact O-CB 3.43Å; A216-H220 PolarHBondContact O-N 2.75Å; T217-H220 PolarHBondContact O-N 2.98Å; H220-R222 VanDerWaalsContact C-N 3.34Å; H220-R222 PolarHBondContact O-N 3.2Å; H220-N223 PolarHBondContact O-N 3.02Å; H220-Q224 PolarHBondContact NE2-NE2 3.43Å; H220-Q224 PolarHBondContact O-N 3.45Å; H220-Q224 VanDerWaalsContact O-N 3.08Å
221	E	80.4	Confident	83	Confident	38 Å²	38	59.1 Å²	59.1	18%	0.178	30%	0.295	C	S	.	.	H	α-helix	trans	-63.1	-39	177.1	-71.3	178.7	-167	0	0	112.4	T217 N223 Q224 L225 P264	T217-E221 WeakPolarHBondContact O-CG 3.44Å; T217-E221 PolarHBondContact O-N 3.43Å; E221-N223 VanDerWaalsContact C-N 3.3Å; E221-N223 PolarHBondContact O-N 3.14Å; E221-Q224 PolarHBondContact O-N 3.36Å; E221-L225 WeakPolarHBondContact O-CG 3.27Å; E221-L225 PolarHBondContact O-N 3.35Å; E221-P264 WeakPolarHBondContact OE2-CD 3.39Å; E221-P264 WeakPolarHBondContact OE2-CG 3.41Å
222	R	80.3	Confident	83.5	Confident	38 Å²	38	58.4 Å²	58.4	14%	0.143	29%	0.292	C	S	.	.	H	α-helix	trans	-59.7	-42.2	174.2	-179.4	-174.6	166.5	90.1	4.9	111.5	E45 L151 Q154 I218 V219 H220 L225 T226	E45-R222 IonicContact OE2-CZ 3.47Å; E45-R222 IonicContact OE2-NH1 3.58Å; E45-R222 IonicContact OE2-NH2 2.72Å; E45-R222 PolarHBondContact OE2-NH2 2.95Å; L151-R222 HydrophobicContact CD2-CG 4.02Å; Q154-R222 VanDerWaalsContact OE1-CA 3.27Å; Q154-R222 VanDerWaalsContact OE1-CB 3.31Å; I218-R222 VanDerWaalsContact O-CB 3.31Å; I218-R222 WeakPolarHBondContact O-CB 3.24Å; I218-R222 PolarHBondContact O-N 3.03Å; V219-R222 PolarHBondContact O-N 3.44Å; H220-R222 VanDerWaalsContact C-N 3.34Å; H220-R222 PolarHBondContact O-N 3.2Å; R222-L225 PolarHBondContact O-N 3.02Å; R222-T226 WeakPolarHBondContact O-CB 3.3Å; R222-T226 PolarHBondContact O-N 2.89Å; R222-T226 PolarHBondContact O-OG1 3.47Å
223	N	83	Confident	83.6	Confident	92 Å²	92	53.3 Å²	53.3	49%	0.492	27%	0.273	S	S	.	.	H	α-helix	trans	-64.9	-42.8	178.6	-69.1	-13.5	0	0	0	111.1	V219 H220 E221 L225 T226 E227	V219-N223 PolarHBondContact O-N 3.45Å; V219-N223 PolarHBondContact O-ND2 2.87Å; V219-N223 PolarHBondContact O-OD1 3.28Å; H220-N223 PolarHBondContact O-N 3.02Å; E221-N223 VanDerWaalsContact C-N 3.3Å; E221-N223 PolarHBondContact O-N 3.14Å; N223-L225 VanDerWaalsContact C-N 3.34Å; N223-L225 PolarHBondContact O-N 2.92Å; N223-T226 PolarHBondContact O-N 3.12Å; N223-E227 WeakPolarHBondContact O-CB 3.31Å; N223-E227 PolarHBondContact O-N 2.96Å
224	Q	85.1	Confident	83.7	Confident	91 Å²	91	51.1 Å²	51.1	43%	0.425	27%	0.271	S	S	.	.	H	α-helix	trans	-60.6	-41.7	174.8	-69.2	178.8	-22.9	0	0	112.4	H220 E221 E227 V228	H220-Q224 PolarHBondContact NE2-NE2 3.43Å; H220-Q224 PolarHBondContact O-N 3.45Å; H220-Q224 VanDerWaalsContact O-N 3.08Å; E221-Q224 PolarHBondContact O-N 3.36Å; Q224-E227 PolarHBondContact O-N 2.7Å; Q224-V228 WeakPolarHBondContact O-CG2 3.46Å; Q224-V228 PolarHBondContact O-N 2.83Å; Q224-V228 VanDerWaalsContact O-N 3.17Å
225	L	85.7	Confident	84	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-43.6	175.9	-70.3	168.7	0	0	0	111.6	L147 R150 L151 E221 R222 N223 E227 Y229 A258	L147-L225 HydrophobicContact CD2-CD2 3.61Å; R150-L225 HydrophobicContact CB-CD1 4.48Å; R150-L225 VanDerWaalsContact NH1-CD2 3.33Å; L151-L225 HydrophobicContact CD2-CB 3.75Å; L151-L225 HydrophobicContact CD2-CD1 4.41Å; L151-L225 HydrophobicContact CG-CB 4.18Å; E221-L225 WeakPolarHBondContact O-CG 3.27Å; E221-L225 PolarHBondContact O-N 3.35Å; R222-L225 PolarHBondContact O-N 3.02Å; N223-L225 VanDerWaalsContact C-N 3.34Å; N223-L225 PolarHBondContact O-N 2.92Å; L225-E227 VanDerWaalsContact C-N 3.34Å; L225-Y229 WeakPolarHBondContact O-CB 3.48Å; L225-Y229 PolarHBondContact O-N 3.46Å; L225-A258 HydrophobicContact CD2-CB 3.65Å
226	T	83.9	Confident	84.2	Confident	25 Å²	25	48.2 Å²	48.2	15%	0.153	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-42.1	177.7	-55.6	0	0	0	0	111.3	R222 N223 Y229 Q230	R222-T226 WeakPolarHBondContact O-CB 3.3Å; R222-T226 PolarHBondContact O-N 2.89Å; R222-T226 PolarHBondContact O-OG1 3.47Å; N223-T226 PolarHBondContact O-N 3.12Å; T226-Y229 WeakPolarHBondContact O-CB 3.19Å; T226-Y229 PolarHBondContact O-N 2.89Å; T226-Q230 HydrophobicContact CG2-CG 4.39Å; T226-Q230 WeakPolarHBondContact O-CB 3.16Å; T226-Q230 VanDerWaalsContact O-CG 3.26Å; T226-Q230 WeakPolarHBondContact O-CG 3.39Å; T226-Q230 PolarHBondContact O-N 3.49Å
227	E	87.7	Confident	84.2	Confident	107 Å²	107	47.8 Å²	47.8	50%	0.5	24%	0.242	S	C	.	.	H	α-helix	trans	-62.2	-52.9	178.7	-175.4	179.2	-162.4	0	0	111.6	N223 Q224 L225 Y229 Q230 E231	N223-E227 WeakPolarHBondContact O-CB 3.31Å; N223-E227 PolarHBondContact O-N 2.96Å; Q224-E227 PolarHBondContact O-N 2.7Å; L225-E227 VanDerWaalsContact C-N 3.34Å; E227-Y229 PolarHBondContact O-N 2.93Å; E227-Q230 PolarHBondContact O-N 2.91Å; E227-Q230 VanDerWaalsContact O-N 3.1Å; E227-E231 PolarHBondContact O-N 2.81Å
228	V	90.1	Very high	84.4	Confident	8 Å²	8	49.3 Å²	49.3	5%	0.048	24%	0.24	C	C	.	.	H	α-helix	trans	-60.8	-36.7	177.2	178.9	0	0	0	0	111.1	L147 Q224 E231 L232 L251	L147-V228 HydrophobicContact CD1-CB 4.35Å; L147-V228 HydrophobicContact CD1-CG1 3.87Å; Q224-V228 WeakPolarHBondContact O-CG2 3.46Å; Q224-V228 PolarHBondContact O-N 2.83Å; Q224-V228 VanDerWaalsContact O-N 3.17Å; V228-E231 PolarHBondContact O-N 3.13Å; V228-L232 HydrophobicContact CG1-CD1 4.3Å; V228-L232 WeakPolarHBondContact O-CG 3.25Å; V228-L232 PolarHBondContact O-N 2.94Å; V228-L251 HydrophobicContact CG1-CD1 4.17Å
229	Y	86.5	Confident	84.8	Confident	3 Å²	3	51.2 Å²	51.2	1%	0.012	25%	0.253	C	S	.	.	H	α-helix	trans	-64.6	-42.2	176	-169.8	-98.2	0	0	0	112.5	T38 L42 M144 L147 W148 L151 L225 T226 E227 L232 M233	T38-Y229 HydrophobicContact CG2-CE1 3.32Å; T38-Y229 WeakPolarHBondContact CG2-OH 2.99Å; L42-Y229 HydrophobicContact CD1-CD1 4.13Å; L42-Y229 HydrophobicContact CD1-CE1 3.8Å; L42-Y229 HydrophobicContact CD2-CD1 4.31Å; L42-Y229 HydrophobicContact CD2-CE1 4.16Å; L42-Y229 HydrophobicContact CG-CE1 4.06Å; M144-Y229 HydrophobicContact CB-CE2 3.94Å; M144-Y229 HydrophobicContact CG-CE2 4.39Å; M144-Y229 VanDerWaalsContact O-CE2 3.3Å; M144-Y229 WeakPolarHBondContact O-CE2 3.26Å; L147-Y229 HydrophobicContact CB-CD2 3.92Å; L147-Y229 HydrophobicContact CD1-CD2 4.41Å; W148-Y229 HydrophobicContact CB-CE2 3.95Å; L151-Y229 HydrophobicContact CD1-CG 4.38Å; L225-Y229 WeakPolarHBondContact O-CB 3.48Å; L225-Y229 PolarHBondContact O-N 3.46Å; T226-Y229 WeakPolarHBondContact O-CB 3.19Å; T226-Y229 PolarHBondContact O-N 2.89Å; E227-Y229 PolarHBondContact O-N 2.93Å; Y229-L232 PolarHBondContact O-N 3.03Å; Y229-M233 HydrophobicContact CD1-CG 4.24Å; Y229-M233 HydrophobicContact CE1-CG 4.1Å; Y229-M233 WeakPolarHBondContact O-CB 3.45Å; Y229-M233 WeakPolarHBondContact O-CG 3.46Å; Y229-M233 PolarHBondContact O-N 2.86Å
230	Q	84	Confident	85.3	Confident	105 Å²	105	49.3 Å²	49.3	49%	0.491	24%	0.24	S	C	.	.	H	α-helix	trans	-66.7	-36.4	176.1	-74.6	173.5	-6.8	0	0	112.2	T226 E227 M233 T234	T226-Q230 HydrophobicContact CG2-CG 4.39Å; T226-Q230 WeakPolarHBondContact O-CB 3.16Å; T226-Q230 VanDerWaalsContact O-CG 3.26Å; T226-Q230 WeakPolarHBondContact O-CG 3.39Å; T226-Q230 PolarHBondContact O-N 3.49Å; E227-Q230 PolarHBondContact O-N 2.91Å; E227-Q230 VanDerWaalsContact O-N 3.1Å; Q230-M233 WeakPolarHBondContact O-CB 3.43Å; Q230-M233 PolarHBondContact O-N 2.81Å; Q230-T234 PolarHBondContact O-N 2.92Å; Q230-T234 PolarHBondContact O-OG1 2.83Å
231	E	89.5	Confident	85.5	Confident	62 Å²	62	45.4 Å²	45.4	29%	0.29	22%	0.222	S	C	.	.	H	α-helix	trans	-61.7	-48.9	172	-73.4	178.7	-132.4	0	0	111.2	E227 V228 M233 T234 M235 L251 R254	E227-E231 PolarHBondContact O-N 2.81Å; V228-E231 PolarHBondContact O-N 3.13Å; E231-M233 VanDerWaalsContact C-N 3.3Å; E231-M233 PolarHBondContact O-N 2.99Å; E231-T234 WeakPolarHBondContact O-CB 3.34Å; E231-T234 PolarHBondContact O-N 2.88Å; E231-T234 VanDerWaalsContact O-N 3.14Å; E231-M235 WeakPolarHBondContact O-CG 3.13Å; E231-M235 PolarHBondContact O-N 2.75Å; E231-L251 HydrophobicContact CB-CD1 3.83Å; E231-R254 IonicContact OE1-CZ 3.72Å; E231-R254 IonicContact OE1-NH1 2.87Å; E231-R254 PolarHBondContact OE1-NH1 2.91Å; E231-R254 IonicContact OE1-NH2 3.95Å; E231-R254 PolarHBondContact OE1-NH2 3Å; E231-R254 IonicContact OE2-CZ 3.34Å; E231-R254 IonicContact OE2-NH1 3.81Å; E231-R254 PolarHBondContact OE2-NH1 3.32Å; E231-R254 IonicContact OE2-NH2 2.92Å
232	L	88.1	Confident	85.8	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.8	-40.2	175.3	-71.9	164.5	0	0	0	112.1	L140 H143 M144 L147 V228 Y229 M235 S236 L251 F252	L140-L232 HydrophobicContact CD2-CD2 3.64Å; H143-L232 HydrophobicContact CB-CD1 4.11Å; H143-L232 HydrophobicContact CB-CD2 4.38Å; M144-L232 HydrophobicContact CG-CB 3.75Å; M144-L232 HydrophobicContact CG-CD1 4.15Å; M144-L232 HydrophobicContact SD-CB 4.32Å; L147-L232 HydrophobicContact CD1-CD1 3.56Å; V228-L232 HydrophobicContact CG1-CD1 4.3Å; V228-L232 WeakPolarHBondContact O-CG 3.25Å; V228-L232 PolarHBondContact O-N 2.94Å; Y229-L232 PolarHBondContact O-N 3.03Å; L232-M235 PolarHBondContact O-N 3.39Å; L232-S236 PolarHBondContact O-N 3.12Å; L232-L251 HydrophobicContact CD2-CD1 4.48Å; L232-L251 HydrophobicContact CD2-CD2 3.71Å; L232-L251 HydrophobicContact CD2-CG 3.85Å; L232-L251 HydrophobicContact CG-CD1 4.35Å; L232-L251 HydrophobicContact CG-CD2 4.18Å; L232-L251 HydrophobicContact CG-CG 4.24Å; L232-F252 HydrophobicContact CD2-CD1 4.15Å; L232-F252 HydrophobicContact CD2-CE1 4.02Å
233	M	83.2	Confident	86.3	Confident	20 Å²	20	45.1 Å²	45.1	10%	0.099	22%	0.222	C	C	.	.	H	α-helix	trans	-59.2	-46.5	173.9	-86.6	-65.5	-69.5	0	0	111.7	T38 C39 M144 Y229 Q230 E231 M235 S236 Q237	T38-M233 HydrophobicContact CG2-CE 3.86Å; T38-M233 HydrophobicContact CG2-CG 3.89Å; T38-M233 HydrophobicContact CG2-SD 3.24Å; T38-M233 WeakPolarHBondContact CG2-SD 3.47Å; C39-M233 VanDerWaalsContact SG-CE 3.54Å; M144-M233 HydrophobicContact CE-CG 3.85Å; M144-M233 HydrophobicContact CE-SD 3.2Å; M144-M233 WeakPolarHBondContact CE-SD 3.49Å; M144-M233 HydrophobicContact SD-SD 4.47Å; Y229-M233 HydrophobicContact CD1-CG 4.24Å; Y229-M233 HydrophobicContact CE1-CG 4.1Å; Y229-M233 WeakPolarHBondContact O-CB 3.45Å; Y229-M233 WeakPolarHBondContact O-CG 3.46Å; Y229-M233 PolarHBondContact O-N 2.86Å; Q230-M233 WeakPolarHBondContact O-CB 3.43Å; Q230-M233 PolarHBondContact O-N 2.81Å; E231-M233 VanDerWaalsContact C-N 3.3Å; E231-M233 PolarHBondContact O-N 2.99Å; M233-M235 VanDerWaalsContact C-N 3.3Å; M233-M235 PolarHBondContact O-N 3.37Å; M233-S236 WeakPolarHBondContact O-CB 2.97Å; M233-S236 PolarHBondContact O-N 2.87Å; M233-S236 PolarHBondContact O-OG 3.11Å; M233-Q237 WeakPolarHBondContact O-CG 3.16Å; M233-Q237 PolarHBondContact O-N 3.05Å
234	T	86	Confident	86.5	Confident	82 Å²	82	41 Å²	41	50%	0.503	20%	0.2	S	C	.	.	H	α-helix	trans	-61.4	-42.1	177.7	-57.6	0	0	0	0	110.9	Q230 E231 S236 Q237	Q230-T234 PolarHBondContact O-N 2.92Å; Q230-T234 PolarHBondContact O-OG1 2.83Å; E231-T234 WeakPolarHBondContact O-CB 3.34Å; E231-T234 PolarHBondContact O-N 2.88Å; E231-T234 VanDerWaalsContact O-N 3.14Å; T234-S236 VanDerWaalsContact C-N 3.34Å; T234-S236 PolarHBondContact O-N 2.78Å; T234-Q237 PolarHBondContact O-N 3.07Å
235	M	87.1	Confident	86.5	Confident	20 Å²	20	40.1 Å²	40.1	10%	0.099	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-38.7	176.1	-72.5	-45	-51.4	0	0	113.2	L140 E231 L232 M233 Q237 R238 L243 Q246 L248 L251	L140-M235 HydrophobicContact CD2-CB 4.21Å; E231-M235 WeakPolarHBondContact O-CG 3.13Å; E231-M235 PolarHBondContact O-N 2.75Å; L232-M235 PolarHBondContact O-N 3.39Å; M233-M235 VanDerWaalsContact C-N 3.3Å; M233-M235 PolarHBondContact O-N 3.37Å; M235-Q237 PolarHBondContact O-N 3.3Å; M235-R238 HydrophobicContact CE-CG 3.99Å; M235-R238 WeakPolarHBondContact O-CB 3.38Å; M235-R238 PolarHBondContact O-N 2.78Å; M235-R238 HydrophobicContact SD-CG 4.45Å; M235-L243 HydrophobicContact CE-CD1 3.99Å; M235-Q246 PolarHBondContact SD-OE1 3.4Å; M235-Q246 VanDerWaalsContact SD-OE1 3.39Å; M235-L248 HydrophobicContact CE-CD2 3.91Å; M235-L248 HydrophobicContact CG-CD2 4.03Å; M235-L248 HydrophobicContact SD-CD2 4.27Å; M235-L251 HydrophobicContact CG-CD2 3.79Å
236	S	82.4	Confident	86.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.1	-23.3	178.5	80.6	0	0	0	0	114.2	R78 L232 M233 T234	R78-S236 PolarHBondContact NH1-O 3.17Å; R78-S236 PolarHBondContact NH2-O 3.12Å; L232-S236 PolarHBondContact O-N 3.12Å; M233-S236 WeakPolarHBondContact O-CB 2.97Å; M233-S236 PolarHBondContact O-N 2.87Å; M233-S236 PolarHBondContact O-OG 3.11Å; T234-S236 VanDerWaalsContact C-N 3.34Å; T234-S236 PolarHBondContact O-N 2.78Å
237	Q	82.2	Confident	86.4	Confident	54 Å²	54	47.4 Å²	47.4	25%	0.252	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-10.6	-179.4	-61.9	-56.2	-51.1	0	0	113.4	I22 M233 T234 M235	I22-Q237 PolarHBondContact O-OE1 2.98Å; I22-Q237 VanDerWaalsContact O-OE1 3.06Å; M233-Q237 WeakPolarHBondContact O-CG 3.16Å; M233-Q237 PolarHBondContact O-N 3.05Å; T234-Q237 PolarHBondContact O-N 3.07Å; M235-Q237 PolarHBondContact O-N 3.3Å
238	R	86.1	Confident	86.4	Confident	102 Å²	102	42.5 Å²	42.5	39%	0.385	21%	0.214	S	C	.	.	S	Bend	trans	-67.6	150.1	-179.6	-69	-84.9	-179.4	170	-2.5	111.2	M235 E242	M235-R238 HydrophobicContact CE-CG 3.99Å; M235-R238 WeakPolarHBondContact O-CB 3.38Å; M235-R238 PolarHBondContact O-N 2.78Å; M235-R238 HydrophobicContact SD-CG 4.45Å; R238-E242 HydrophobicContact CB-CB 4.48Å; R238-E242 VanDerWaalsContact CD-OE2 3.23Å; R238-E242 WeakPolarHBondContact CD-OE2 3.29Å; R238-E242 IonicContact CZ-OE2 3.89Å; R238-E242 IonicContact NE-OE2 2.69Å; R238-E242 IonicContact NH1-OE2 2.75Å; R238-E242 PolarHBondContact NH1-OE2 2.96Å
239	P	86.8	Confident	86.3	Confident	57 Å²	57	46.7 Å²	46.7	37%	0.37	24%	0.236	S	C	.	.			trans	-55.2	146.6	168	-23.2	34	0	0	0	111.4	Q241 E242 L243	P239-Q241 VanDerWaalsContact C-N 3.28Å; P239-Q241 PolarHBondContact O-N 3.35Å; P239-E242 PolarHBondContact O-N 2.67Å; P239-L243 PolarHBondContact O-N 3.29Å
240	Y	89.4	Confident	86.5	Confident	19 Å²	19	50 Å²	50	8%	0.075	25%	0.254	C	S	.	.	H	α-helix	trans	-56.8	-39.2	-174.2	-72.2	-19.3	0	0	0	113.7	R78 L82 V133 M137 E242 L243 L244	R78-Y240 HydrophobicContact CB-CD2 4.2Å; R78-Y240 HydrophobicContact CB-CE1 4.07Å; R78-Y240 HydrophobicContact CB-CE2 3.45Å; R78-Y240 VanDerWaalsContact CB-CE2 3.45Å; R78-Y240 WeakPolarHBondContact CB-OH 3.36Å; R78-Y240 WeakPolarHBondContact CD-OH 3.3Å; L82-Y240 HydrophobicContact CB-CD2 4.29Å; L82-Y240 HydrophobicContact CD2-CD2 3.98Å; V133-Y240 HydrophobicContact CB-CG 4.46Å; V133-Y240 HydrophobicContact CG1-CD1 3.58Å; V133-Y240 HydrophobicContact CG1-CD2 3.68Å; V133-Y240 HydrophobicContact CG1-CE1 3.66Å; V133-Y240 HydrophobicContact CG1-CE2 3.75Å; V133-Y240 HydrophobicContact CG1-CG 3.58Å; V133-Y240 HydrophobicContact CG2-CD2 4.15Å; V133-Y240 HydrophobicContact CG2-CG 3.94Å; M137-Y240 HydrophobicContact CE-CD1 3.77Å; M137-Y240 HydrophobicContact CE-CE1 3.53Å; M137-Y240 HydrophobicContact CG-CE1 4.5Å; Y240-E242 PolarHBondContact O-N 2.94Å; Y240-L243 PolarHBondContact O-N 3.48Å; Y240-L244 WeakPolarHBondContact O-CG 3.31Å; Y240-L244 PolarHBondContact O-N 2.86Å; Y240-L244 VanDerWaalsContact O-N 3.08Å
241	Q	87.4	Confident	86.8	Confident	26 Å²	26	45.6 Å²	45.6	12%	0.121	23%	0.234	C	C	.	.	H	α-helix	trans	-64.1	-38.8	177.6	65.2	-81.7	14.1	0	0	113	L82 Y85 P239 V245	L82-Q241 HydrophobicContact CD1-CB 4.04Å; Y85-Q241 HydrophobicContact CD1-CB 3.97Å; Y85-Q241 HydrophobicContact CD1-CG 3.82Å; Y85-Q241 HydrophobicContact CD2-CG 4.06Å; Y85-Q241 HydrophobicContact CE1-CB 3.77Å; Y85-Q241 HydrophobicContact CE1-CG 3.73Å; Y85-Q241 HydrophobicContact CE2-CG 3.95Å; Y85-Q241 HydrophobicContact CG-CG 4Å; P239-Q241 VanDerWaalsContact C-N 3.28Å; P239-Q241 PolarHBondContact O-N 3.35Å; Q241-V245 WeakPolarHBondContact O-CG2 3.4Å; Q241-V245 PolarHBondContact O-N 2.91Å
242	E	88.5	Confident	86.9	Confident	71 Å²	71	42.8 Å²	42.8	33%	0.332	22%	0.221	S	C	.	.	H	α-helix	trans	-69.4	-41.5	176.6	-73.2	178.6	-141.8	0	0	110.4	R238 P239 Y240 L244 V245 Q246	R238-E242 HydrophobicContact CB-CB 4.48Å; R238-E242 VanDerWaalsContact CD-OE2 3.23Å; R238-E242 WeakPolarHBondContact CD-OE2 3.29Å; R238-E242 IonicContact CZ-OE2 3.89Å; R238-E242 IonicContact NE-OE2 2.69Å; R238-E242 IonicContact NH1-OE2 2.75Å; R238-E242 PolarHBondContact NH1-OE2 2.96Å; P239-E242 PolarHBondContact O-N 2.67Å; Y240-E242 PolarHBondContact O-N 2.94Å; E242-L244 VanDerWaalsContact C-N 3.31Å; E242-L244 PolarHBondContact O-N 3.36Å; E242-V245 PolarHBondContact O-N 3.32Å; E242-Q246 WeakPolarHBondContact O-CG 3.11Å; E242-Q246 PolarHBondContact O-N 3.5Å; E242-Q246 VanDerWaalsContact O-N 3.09Å
243	L	88.8	Confident	87.1	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.7	-37.9	-179.8	177.8	66.2	0	0	0	112.9	K136 M137 L140 M235 P239 Y240 L248	K136-L243 HydrophobicContact CG-CD1 4.32Å; K136-L243 HydrophobicContact CG-CD2 4.12Å; K136-L243 HydrophobicContact CG-CG 3.9Å; M137-L243 HydrophobicContact CE-CD2 3.21Å; M137-L243 HydrophobicContact CG-CD2 4.19Å; M137-L243 HydrophobicContact SD-CD2 3.59Å; M137-L243 VanDerWaalsContact SD-CD2 3.59Å; L140-L243 HydrophobicContact CD1-CD1 3.63Å; L140-L243 HydrophobicContact CD1-CD2 3.86Å; L140-L243 HydrophobicContact CD1-CG 4.36Å; M235-L243 HydrophobicContact CE-CD1 3.99Å; P239-L243 PolarHBondContact O-N 3.29Å; Y240-L243 PolarHBondContact O-N 3.48Å; L243-L248 HydrophobicContact CD1-CD1 3.79Å
244	L	88.4	Confident	87.5	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-72.2	-36.1	-179.4	-74.1	-177.2	0	0	0	113.5	F103 L110 I129 A132 V133 K136 Y240 E242	F103-L244 HydrophobicContact CD2-CB 4.26Å; F103-L244 HydrophobicContact CD2-CD1 4.34Å; F103-L244 HydrophobicContact CE2-CB 3.94Å; F103-L244 WeakPolarHBondContact CE2-O 3.37Å; F103-L244 WeakPolarHBondContact CZ-O 3.42Å; L110-L244 HydrophobicContact CD2-CD1 4.45Å; I129-L244 HydrophobicContact CD1-CD1 4.24Å; I129-L244 HydrophobicContact CG1-CD1 3.61Å; A132-L244 HydrophobicContact CB-CD1 4.05Å; A132-L244 HydrophobicContact CB-CD2 3.71Å; V133-L244 HydrophobicContact CG2-CD1 3.76Å; V133-L244 HydrophobicContact CG2-CD2 4.32Å; V133-L244 HydrophobicContact CG2-CG 4.08Å; K136-L244 HydrophobicContact CB-CD2 4.2Å; Y240-L244 WeakPolarHBondContact O-CG 3.31Å; Y240-L244 PolarHBondContact O-N 2.86Å; Y240-L244 VanDerWaalsContact O-N 3.08Å; E242-L244 VanDerWaalsContact C-N 3.31Å; E242-L244 PolarHBondContact O-N 3.36Å
245	V	84.5	Confident	87.7	Confident	74 Å²	74	49.7 Å²	49.7	45%	0.448	24%	0.237	S	C	.	.	H	α-helix	trans	-85.3	-22.2	-174.7	178.3	0	0	0	0	111.5	Q241 E242	Q241-V245 WeakPolarHBondContact O-CG2 3.4Å; Q241-V245 PolarHBondContact O-N 2.91Å; E242-V245 PolarHBondContact O-N 3.32Å
246	Q	85.4	Confident	87.8	Confident	67 Å²	67	53.6 Å²	53.6	31%	0.313	25%	0.253	S	S	.	.	S	Bend	trans	-72.9	135.4	175.3	-76.5	-175.4	19	0	0	112.6	M235 E242 L248	M235-Q246 PolarHBondContact SD-OE1 3.4Å; M235-Q246 VanDerWaalsContact SD-OE1 3.39Å; E242-Q246 WeakPolarHBondContact O-CG 3.11Å; E242-Q246 PolarHBondContact O-N 3.5Å; E242-Q246 VanDerWaalsContact O-N 3.09Å; Q246-L248 PolarHBondContact O-N 3.42Å
247	D	83	Confident	87.9	Confident	114 Å²	114	59.4 Å²	59.4	61%	0.61	28%	0.283	S	S	*	.			trans	-74.1	117.1	168.6	-173.4	-2.1	0	0	0	109.5	D249	D247-D249 VanDerWaalsContact OD1-CB 3.24Å; D247-D249 WeakPolarHBondContact OD1-CB 3.26Å; D247-D249 PolarHBondContact OD1-N 3.05Å
248	L	87.9	Confident	88	Confident	5 Å²	5	57.7 Å²	57.7	3%	0.026	28%	0.279	C	S	.	.			trans	-109.7	6.3	178.3	-63.9	-173.2	0	0	0	112.2	K136 L140 M235 L243 Q246 D250 L251 F252	K136-L248 HydrophobicContact CD-CD1 4.4Å; L140-L248 HydrophobicContact CD2-CD1 4.3Å; M235-L248 HydrophobicContact CE-CD2 3.91Å; M235-L248 HydrophobicContact CG-CD2 4.03Å; M235-L248 HydrophobicContact SD-CD2 4.27Å; L243-L248 HydrophobicContact CD1-CD1 3.79Å; Q246-L248 PolarHBondContact O-N 3.42Å; L248-D250 VanDerWaalsContact C-N 3.3Å; L248-D250 PolarHBondContact O-N 3.46Å; L248-L251 HydrophobicContact CD2-CD2 4.17Å; L248-L251 PolarHBondContact O-N 3.04Å; L248-L251 VanDerWaalsContact O-N 3.14Å; L248-F252 HydrophobicContact CB-CD1 4.42Å; L248-F252 HydrophobicContact CB-CD2 4.03Å; L248-F252 HydrophobicContact CB-CE1 4.15Å; L248-F252 HydrophobicContact CB-CE2 3.76Å; L248-F252 HydrophobicContact CB-CG 4.37Å; L248-F252 HydrophobicContact CB-CZ 3.82Å; L248-F252 HydrophobicContact CD1-CE1 4.1Å; L248-F252 HydrophobicContact CD1-CE2 4.31Å; L248-F252 HydrophobicContact CD1-CZ 3.67Å; L248-F252 HydrophobicContact CG-CZ 4.42Å; L248-F252 WeakPolarHBondContact O-CB 2.9Å; L248-F252 VanDerWaalsContact O-CG 3.28Å; L248-F252 WeakPolarHBondContact O-CG 3.43Å; L248-F252 PolarHBondContact O-N 3.06Å
249	D	87.5	Confident	87.5	Confident	96 Å²	96	54 Å²	54	51%	0.513	27%	0.27	S	S	.	.	H	α-helix	trans	-64.6	-38	-171.8	-70.6	-6	0	0	0	111.1	D247 R253	D247-D249 VanDerWaalsContact OD1-CB 3.24Å; D247-D249 WeakPolarHBondContact OD1-CB 3.26Å; D247-D249 PolarHBondContact OD1-N 3.05Å; D249-R253 WeakPolarHBondContact O-CB 3.31Å; D249-R253 PolarHBondContact O-N 3.32Å
250	D	90.6	Very high	86.8	Confident	71 Å²	71	59.3 Å²	59.3	38%	0.38	29%	0.287	S	S	.	.	H	α-helix	trans	-64.4	-47.1	172.3	179	63.4	0	0	0	112.2	L248 F252 R253 R254	L248-D250 VanDerWaalsContact C-N 3.3Å; L248-D250 PolarHBondContact O-N 3.46Å; D250-F252 VanDerWaalsContact C-N 3.34Å; D250-F252 PolarHBondContact O-N 2.98Å; D250-R253 WeakPolarHBondContact O-CB 3.43Å; D250-R253 PolarHBondContact O-N 2.77Å; D250-R253 VanDerWaalsContact O-N 3.16Å; D250-R253 IonicContact OD1-CZ 2.74Å; D250-R253 IonicContact OD1-NE 2.7Å; D250-R253 IonicContact OD1-NH2 2.93Å; D250-R253 PolarHBondContact OD1-NH2 2.81Å; D250-R254 WeakPolarHBondContact O-CB 3.46Å; D250-R254 WeakPolarHBondContact O-CG 3.43Å; D250-R254 PolarHBondContact O-N 3.47Å; D250-R254 VanDerWaalsContact OD2-CD 3.26Å; D250-R254 WeakPolarHBondContact OD2-CD 3.32Å
251	L	91.3	Very high	85.7	Confident	14 Å²	14	61.5 Å²	61.5	7%	0.073	30%	0.302	C	S	.	.	H	α-helix	trans	-61.2	-44.5	179.7	179.5	59.8	0	0	0	111.1	V228 E231 L232 M235 L248 R254 S255	V228-L251 HydrophobicContact CG1-CD1 4.17Å; E231-L251 HydrophobicContact CB-CD1 3.83Å; L232-L251 HydrophobicContact CD2-CD1 4.48Å; L232-L251 HydrophobicContact CD2-CD2 3.71Å; L232-L251 HydrophobicContact CD2-CG 3.85Å; L232-L251 HydrophobicContact CG-CD1 4.35Å; L232-L251 HydrophobicContact CG-CD2 4.18Å; L232-L251 HydrophobicContact CG-CG 4.24Å; M235-L251 HydrophobicContact CG-CD2 3.79Å; L248-L251 HydrophobicContact CD2-CD2 4.17Å; L248-L251 PolarHBondContact O-N 3.04Å; L248-L251 VanDerWaalsContact O-N 3.14Å; L251-R254 PolarHBondContact O-N 2.86Å; L251-S255 WeakPolarHBondContact O-CB 3.42Å; L251-S255 PolarHBondContact O-N 2.85Å
252	F	91.4	Very high	84.5	Confident	3 Å²	3	67.4 Å²	67.4	1%	0.013	34%	0.335	C	S	.	.	H	α-helix	trans	-65.8	-39.2	175.4	-66.2	-20.1	0	0	0	111.7	K136 E139 L140 H143 L232 L248 D250 S255 K256	K136-F252 HydrophobicContact CD-CE2 4.42Å; K136-F252 HydrophobicContact CD-CZ 4.47Å; E139-F252 HydrophobicContact CB-CZ 4.48Å; E139-F252 VanDerWaalsContact CD-CE2 3.43Å; E139-F252 HydrophobicContact CG-CD2 4.27Å; E139-F252 HydrophobicContact CG-CE2 3.85Å; E139-F252 HydrophobicContact CG-CZ 4.03Å; E139-F252 VanDerWaalsContact OE2-CE2 3.32Å; E139-F252 WeakPolarHBondContact OE2-CE2 3.38Å; L140-F252 HydrophobicContact CD2-CE1 3.8Å; L140-F252 HydrophobicContact CD2-CZ 4.24Å; L140-F252 HydrophobicContact CG-CE1 4.17Å; L140-F252 HydrophobicContact CG-CZ 4.16Å; H143-F252 AromaticContact CD2-CD1 3.97Å; H143-F252 PolarHBondContact CE1-O 2.88Å; H143-F252 AromaticContact NE2-CG 3.95Å; L232-F252 HydrophobicContact CD2-CD1 4.15Å; L232-F252 HydrophobicContact CD2-CE1 4.02Å; L248-F252 HydrophobicContact CB-CD1 4.42Å; L248-F252 HydrophobicContact CB-CD2 4.03Å; L248-F252 HydrophobicContact CB-CE1 4.15Å; L248-F252 HydrophobicContact CB-CE2 3.76Å; L248-F252 HydrophobicContact CB-CG 4.37Å; L248-F252 HydrophobicContact CB-CZ 3.82Å; L248-F252 HydrophobicContact CD1-CE1 4.1Å; L248-F252 HydrophobicContact CD1-CE2 4.31Å; L248-F252 HydrophobicContact CD1-CZ 3.67Å; L248-F252 HydrophobicContact CG-CZ 4.42Å; L248-F252 WeakPolarHBondContact O-CB 2.9Å; L248-F252 VanDerWaalsContact O-CG 3.28Å; L248-F252 WeakPolarHBondContact O-CG 3.43Å; L248-F252 PolarHBondContact O-N 3.06Å; D250-F252 VanDerWaalsContact C-N 3.34Å; D250-F252 PolarHBondContact O-N 2.98Å; F252-S255 PolarHBondContact O-N 2.82Å; F252-K256 WeakPolarHBondContact O-CB 3.49Å; F252-K256 PolarHBondContact O-N 3Å
253	R	91.2	Very high	83.1	Confident	165 Å²	165	66.3 Å²	66.3	62%	0.623	33%	0.33	S	S	*	.	H	α-helix	trans	-61.7	-47.9	173.6	179.5	-179.5	66.2	-164.9	5.9	111.5	D249 D250 S255 K256 L257	D249-R253 WeakPolarHBondContact O-CB 3.31Å; D249-R253 PolarHBondContact O-N 3.32Å; D250-R253 WeakPolarHBondContact O-CB 3.43Å; D250-R253 PolarHBondContact O-N 2.77Å; D250-R253 VanDerWaalsContact O-N 3.16Å; D250-R253 IonicContact OD1-CZ 2.74Å; D250-R253 IonicContact OD1-NE 2.7Å; D250-R253 IonicContact OD1-NH2 2.93Å; D250-R253 PolarHBondContact OD1-NH2 2.81Å; R253-S255 PolarHBondContact O-N 3.02Å; R253-K256 PolarHBondContact O-N 2.84Å; R253-L257 WeakPolarHBondContact O-CB 3Å; R253-L257 PolarHBondContact O-N 2.78Å
254	R	91.3	Very high	81.7	Confident	81 Å²	81	67.5 Å²	67.5	31%	0.306	34%	0.338	S	S	.	.	H	α-helix	trans	-59.4	-45.2	176.2	-75.4	172.7	58.8	-152.9	-5.9	111.2	E231 D250 L251 L257 A258	E231-R254 IonicContact OE1-CZ 3.72Å; E231-R254 IonicContact OE1-NH1 2.87Å; E231-R254 PolarHBondContact OE1-NH1 2.91Å; E231-R254 IonicContact OE1-NH2 3.95Å; E231-R254 PolarHBondContact OE1-NH2 3Å; E231-R254 IonicContact OE2-CZ 3.34Å; E231-R254 IonicContact OE2-NH1 3.81Å; E231-R254 PolarHBondContact OE2-NH1 3.32Å; E231-R254 IonicContact OE2-NH2 2.92Å; D250-R254 WeakPolarHBondContact O-CB 3.46Å; D250-R254 WeakPolarHBondContact O-CG 3.43Å; D250-R254 PolarHBondContact O-N 3.47Å; D250-R254 VanDerWaalsContact OD2-CD 3.26Å; D250-R254 WeakPolarHBondContact OD2-CD 3.32Å; L251-R254 PolarHBondContact O-N 2.86Å; R254-L257 PolarHBondContact O-N 2.91Å; R254-A258 VanDerWaalsContact O-CB 3.28Å; R254-A258 WeakPolarHBondContact O-CB 2.94Å; R254-A258 PolarHBondContact O-N 3.17Å
255	S	90.4	Very high	80.4	Confident	1 Å²	1	74.7 Å²	74.7	1%	0.007	37%	0.371	C	S	.	.	H	α-helix	trans	-61.2	-46.5	175.3	170.9	0	0	0	0	112.5	H143 L147 L251 F252 R253 L257 A258 A259	H143-S255 VanDerWaalsContact ND1-CB 3.31Å; H143-S255 WeakPolarHBondContact ND1-CB 3.41Å; H143-S255 PolarHBondContact ND1-OG 3.32Å; L147-S255 WeakPolarHBondContact CD1-OG 3.37Å; L251-S255 WeakPolarHBondContact O-CB 3.42Å; L251-S255 PolarHBondContact O-N 2.85Å; F252-S255 PolarHBondContact O-N 2.82Å; R253-S255 PolarHBondContact O-N 3.02Å; S255-L257 VanDerWaalsContact C-N 3.35Å; S255-L257 PolarHBondContact O-N 3.19Å; S255-A258 PolarHBondContact O-N 2.85Å; S255-A259 VanDerWaalsContact O-CB 3.3Å; S255-A259 WeakPolarHBondContact O-CB 3.44Å; S255-A259 PolarHBondContact O-N 3.44Å
256	K	88.9	Confident	79.3	Confident	101 Å²	101	71.8 Å²	71.8	44%	0.439	36%	0.356	S	S	.	.	H	α-helix	trans	-60.3	-42.5	175.3	-88.7	152.2	-175.7	157.4	0	111.8	E139 H143 F252 R253 A259 K260	E139-K256 IonicContact OE1-NZ 2.65Å; H143-K256 VanDerWaalsContact CE1-CE 3.46Å; H143-K256 WeakPolarHBondContact CE1-CE 3.37Å; H143-K256 VanDerWaalsContact NE2-CE 3.35Å; H143-K256 WeakPolarHBondContact NE2-CE 3.23Å; H143-K256 PolarHBondContact NE2-NZ 3.14Å; F252-K256 WeakPolarHBondContact O-CB 3.49Å; F252-K256 PolarHBondContact O-N 3Å; R253-K256 PolarHBondContact O-N 2.84Å; K256-A259 PolarHBondContact O-N 3.19Å; K256-K260 WeakPolarHBondContact O-CG 3.34Å; K256-K260 PolarHBondContact O-N 2.75Å; K256-K260 VanDerWaalsContact O-N 3.17Å
257	L	86.1	Confident	78.6	Confident	122 Å²	122	70.7 Å²	70.7	64%	0.639	35%	0.352	S	S	*	.	H	α-helix	trans	-66.1	-48.5	178.6	-174.4	65.8	0	0	0	110.7	R253 R254 S255 A259 K260 V261	R253-L257 WeakPolarHBondContact O-CB 3Å; R253-L257 PolarHBondContact O-N 2.78Å; R254-L257 PolarHBondContact O-N 2.91Å; S255-L257 VanDerWaalsContact C-N 3.35Å; S255-L257 PolarHBondContact O-N 3.19Å; L257-A259 PolarHBondContact O-N 3.41Å; L257-K260 PolarHBondContact O-N 2.69Å; L257-V261 PolarHBondContact O-N 3.48Å
258	A	82.5	Confident	77.9	Confident	19 Å²	19	67.7 Å²	67.7	16%	0.157	34%	0.335	C	S	.	.	H	α-helix	trans	-58.8	-37.7	177.4	0	0	0	0	0	111.1	L147 R150 L225 R254 S255 K260	L147-A258 HydrophobicContact CD2-CB 4.15Å; R150-A258 PolarHBondContact NH1-O 2.92Å; R150-A258 PolarHBondContact NH2-O 2.75Å; L225-A258 HydrophobicContact CD2-CB 3.65Å; R254-A258 VanDerWaalsContact O-CB 3.28Å; R254-A258 WeakPolarHBondContact O-CB 2.94Å; R254-A258 PolarHBondContact O-N 3.17Å; S255-A258 PolarHBondContact O-N 2.85Å; A258-K260 VanDerWaalsContact C-N 3.34Å; A258-K260 PolarHBondContact O-N 2.89Å
259	A	76.8	Confident	77.2	Confident	24 Å²	24	67.4 Å²	67.4	20%	0.198	33%	0.334	C	S	.	.	H	α-helix	trans	-70.5	-22.6	176.4	0	0	0	0	0	114.8	L147 R150 S255 K256 L257	L147-A259 HydrophobicContact CD2-CB 4.36Å; R150-A259 WeakPolarHBondContact CD-O 3.49Å; R150-A259 PolarHBondContact NE-O 3.49Å; S255-A259 VanDerWaalsContact O-CB 3.3Å; S255-A259 WeakPolarHBondContact O-CB 3.44Å; S255-A259 PolarHBondContact O-N 3.44Å; K256-A259 PolarHBondContact O-N 3.19Å; L257-A259 PolarHBondContact O-N 3.41Å
260	K	71.8	Confident	76.7	Confident	168 Å²	168	68.5 Å²	68.5	73%	0.73	33%	0.331	S	S	*	.	H	α-helix	trans	-92.4	-12.4	-177.3	-80.1	-179.3	179.3	-175.9	0	115	K256 L257 A258 D262	K256-K260 WeakPolarHBondContact O-CG 3.34Å; K256-K260 PolarHBondContact O-N 2.75Å; K256-K260 VanDerWaalsContact O-N 3.17Å; L257-K260 PolarHBondContact O-N 2.69Å; A258-K260 VanDerWaalsContact C-N 3.34Å; A258-K260 PolarHBondContact O-N 2.89Å; K260-D262 PolarHBondContact O-N 2.87Å
261	V	67.1	Low	76.2	Confident	66 Å²	66	65.1 Å²	65.1	40%	0.4	31%	0.312	S	S	.	.	S	Bend	trans	-56.5	134.2	177	-178.5	0	0	0	0	108.8	R150 L257 M263	R150-V261 PolarHBondContact NH2-O 3.2Å; L257-V261 PolarHBondContact O-N 3.48Å; V261-M263 PolarHBondContact O-N 3.06Å
262	D	61.7	Low	75.8	Confident	150 Å²	150	71.7 Å²	71.7	80%	0.802	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-62.5	130.1	172.8	-88.5	-33.9	0	0	0	108.6	K260 P264	K260-D262 PolarHBondContact O-N 2.87Å; D262-P264 WeakPolarHBondContact O-CD 3.31Å
263	M	59.4	Low	75.2	Confident	48 Å²	48	72.1 Å²	72.1	24%	0.236	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-58.3	125.7	-178.8	-72.6	-69.3	-63.1	0	0	109	R150 I153 Q154 V261 Q265	R150-M263 HydrophobicContact CB-SD 4.5Å; I153-M263 HydrophobicContact CB-CE 4.06Å; I153-M263 HydrophobicContact CG2-CE 3.56Å; Q154-M263 HydrophobicContact CB-CE 4.43Å; Q154-M263 HydrophobicContact CG-CE 3.34Å; Q154-M263 HydrophobicContact CG-SD 4.36Å; V261-M263 PolarHBondContact O-N 3.06Å; M263-Q265 PolarHBondContact O-N 3.46Å
264	P	59	Low	74.9	Confident	24 Å²	24	67.2 Å²	67.2	16%	0.156	32%	0.324	C	S	.	.			trans	-58	114.7	177.5	21.4	-33.2	0	0	0	107.8	I218 E221 D262 G266	I218-P264 HydrophobicContact CG1-CB 3.84Å; I218-P264 HydrophobicContact CG1-CG 3.68Å; E221-P264 WeakPolarHBondContact OE2-CD 3.39Å; E221-P264 WeakPolarHBondContact OE2-CG 3.41Å; D262-P264 WeakPolarHBondContact O-CD 3.31Å; P264-G266 PolarHBondContact O-N 2.74Å
265	Q	60.1	Low	74.7	Confident	155 Å²	155	66.6 Å²	66.6	72%	0.724	33%	0.333	S	S	*	.			trans	-69.2	107.7	174.4	-66.1	-163	3.5	0	0	106.9	M263 M267	M263-Q265 PolarHBondContact O-N 3.46Å; Q265-M267 PolarHBondContact O-N 3.35Å
266	G	62	Low	74.6	Confident	13 Å²	13	66.6 Å²	66.6	13%	0.134	33%	0.332	C	S	.	.			trans	-51.9	118.6	177.3	0	0	0	0	0	110.4	P264 I268	P264-G266 PolarHBondContact O-N 2.74Å; G266-I268 PolarHBondContact O-N 2.94Å
267	M	69.7	Low	74.6	Confident	45 Å²	45	64.5 Å²	64.5	22%	0.222	33%	0.329	C	S	.	.			trans	-53.1	131.7	-176.3	178.5	-158.9	171	0	0	110.6	R163 T207 E210 L211 Q265	R163-M267 PolarHBondContact NH1-O 3.12Å; T207-M267 HydrophobicContact CG2-CE 3.71Å; E210-M267 VanDerWaalsContact C-SD 3.58Å; E210-M267 HydrophobicContact CB-CE 3.61Å; E210-M267 HydrophobicContact CB-SD 3.44Å; E210-M267 WeakPolarHBondContact CB-SD 3.12Å; E210-M267 HydrophobicContact CG-CE 4.47Å; E210-M267 WeakPolarHBondContact OE2-CE 3.44Å; L211-M267 HydrophobicContact CB-SD 4.49Å; L211-M267 HydrophobicContact CD2-CB 4.12Å; L211-M267 HydrophobicContact CD2-CG 4.21Å; L211-M267 WeakPolarHBondContact CD2-O 3.48Å; L211-M267 HydrophobicContact CD2-SD 3.85Å; L211-M267 HydrophobicContact CG-SD 3.92Å; Q265-M267 PolarHBondContact O-N 3.35Å
268	I	69.6	Low	74.6	Confident	50 Å²	50	61 Å²	61	26%	0.256	32%	0.322	S	S	.	.			trans	-98.7	112.2	176.3	-60.3	161.3	0	0	0	107	G266 H382	G266-I268 PolarHBondContact O-N 2.94Å; I268-H382 HydrophobicContact CD1-CB 3.91Å; I268-H382 WeakPolarHBondContact CD1-CD2 3.26Å; I268-H382 WeakPolarHBondContact CD1-CE1 3.42Å; I268-H382 WeakPolarHBondContact CD1-ND1 3.14Å; I268-H382 WeakPolarHBondContact CD1-NE2 3.4Å
269	P	73.2	Confident	74.9	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.316	C	S	.	.			trans	-69.8	143.8	-176.7	30	-31.5	0	0	0	109.4	R163 W167 T207 L211 Y394	R163-P269 HydrophobicContact CG-CG 4.41Å; W167-P269 HydrophobicContact CD2-CB 4.18Å; W167-P269 HydrophobicContact CD2-CG 4.3Å; W167-P269 HydrophobicContact CE3-CB 3.7Å; W167-P269 HydrophobicContact CE3-CG 3.74Å; W167-P269 HydrophobicContact CH2-CB 3.9Å; W167-P269 HydrophobicContact CZ2-CB 4.4Å; W167-P269 HydrophobicContact CZ3-CB 3.57Å; W167-P269 HydrophobicContact CZ3-CG 4.05Å; T207-P269 HydrophobicContact CG2-CB 3.36Å; L211-P269 HydrophobicContact CD1-CB 3.93Å; L211-P269 HydrophobicContact CD1-CG 4.06Å; L211-P269 HydrophobicContact CD2-CB 4.33Å; L211-P269 HydrophobicContact CD2-CG 4.28Å; L211-P269 HydrophobicContact CG-CB 4.36Å; P269-Y394 HydrophobicContact CB-CD1 4.46Å; P269-Y394 HydrophobicContact CG-CD1 3.44Å; P269-Y394 VanDerWaalsContact CG-CD1 3.44Å; P269-Y394 HydrophobicContact CG-CE1 3.66Å; P269-Y394 HydrophobicContact CG-CG 3.96Å; P269-Y394 WeakPolarHBondContact O-CB 3.2Å; P269-Y394 WeakPolarHBondContact O-CD1 3.48Å
270	R	76.6	Confident	75.4	Confident	118 Å²	118	60.5 Å²	60.5	45%	0.445	32%	0.315	S	S	.	.			trans	-139.5	125.8	179.3	-67	-175.3	-176.5	168.2	5.6	110.3	Q203 Y394	Q203-R270 PolarHBondContact NE2-O 3.32Å; R270-Y394 CarbonylContact C-O 3.57Å
271	L	80.9	Confident	76.3	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-91.9	134	170.9	-64.5	170.7	0	0	0	109.2	W167 V171 L200 Q203 Y394 E396	W167-L271 HydrophobicContact CH2-CD1 3.99Å; W167-L271 HydrophobicContact CH2-CD2 3.26Å; W167-L271 HydrophobicContact CH2-CG 3.33Å; W167-L271 HydrophobicContact CZ2-CD2 3.78Å; W167-L271 HydrophobicContact CZ2-CG 4.26Å; W167-L271 HydrophobicContact CZ3-CD1 4Å; W167-L271 HydrophobicContact CZ3-CD2 4.1Å; W167-L271 HydrophobicContact CZ3-CG 3.64Å; V171-L271 HydrophobicContact CG2-CD1 4.11Å; L200-L271 HydrophobicContact CD1-CD1 3.88Å; L200-L271 HydrophobicContact CD1-CD2 3.87Å; L200-L271 HydrophobicContact CD1-CG 4.37Å; Q203-L271 HydrophobicContact CG-CD2 4.2Å; L271-Y394 WeakPolarHBondContact CB-O 3.33Å; L271-Y394 PolarHBondContact N-O 3.47Å; L271-E396 PolarHBondContact O-N 2.99Å
272	R	81.4	Confident	77.4	Confident	153 Å²	153	56 Å²	56	58%	0.577	30%	0.302	S	S	*	.			trans	-76.4	131.4	169.7	-80.8	-176.1	-92.1	-154.7	-3	107	E396	R272-E396 VanDerWaalsContact CG-OE1 3.23Å; R272-E396 WeakPolarHBondContact CG-OE1 3.26Å
273	A	80.2	Confident	78.8	Confident	12 Å²	12	49.2 Å²	49.2	10%	0.099	27%	0.265	C	S	.	.			trans	-85.6	115.1	171.9	0	0	0	0	0	107.9	I395 S422	A273-I395 HydrophobicContact CB-CG2 4.09Å; A273-S422 WeakPolarHBondContact CB-OG 3.43Å
274	H	84.2	Confident	80.5	Confident	61 Å²	61	49.7 Å²	49.7	28%	0.282	27%	0.269	S	S	.	.			trans	-81.7	144.4	177.6	-61.5	87.3	0	0	0	110.3	C199 I276 S422	C199-H274 PolarHBondContact SG-CE1 3.34Å; C199-H274 PolarHBondContact SG-NE2 2.96Å; H274-I276 PolarHBondContact O-N 3.25Å; H274-S422 WeakPolarHBondContact O-CB 3.34Å
275	S	87.9	Confident	82.2	Confident	69 Å²	69	52.7 Å²	52.7	48%	0.483	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-58.9	137.4	174.8	-178.1	0	0	0	0	110	K420	S275-K420 WeakPolarHBondContact CA-O 3.26Å; S275-K420 VanDerWaalsContact CB-O 3.31Å; S275-K420 WeakPolarHBondContact CB-O 3.18Å; S275-K420 PolarHBondContact OG-O 3.43Å
276	I	88.6	Confident	83.9	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.271	C	S	.	.			trans	-103.3	115.2	172.6	-60.8	-178.2	0	0	0	106.8	V181 Y182 H274 G278 L279 S421 L423	V181-I276 HydrophobicContact CG1-CD1 3.87Å; V181-I276 HydrophobicContact CG1-CG2 4.34Å; Y182-I276 HydrophobicContact CD2-CG2 4.5Å; Y182-I276 HydrophobicContact CE1-CG2 4.28Å; Y182-I276 HydrophobicContact CE2-CB 4.45Å; Y182-I276 HydrophobicContact CE2-CD1 3.97Å; Y182-I276 HydrophobicContact CE2-CG1 3.88Å; Y182-I276 HydrophobicContact CE2-CG2 3.93Å; H274-I276 PolarHBondContact O-N 3.25Å; I276-G278 PolarHBondContact O-N 3.47Å; I276-L279 HydrophobicContact CB-CB 3.85Å; I276-L279 HydrophobicContact CB-CD2 4Å; I276-L279 HydrophobicContact CB-CG 4.48Å; I276-L279 HydrophobicContact CD1-CD2 4.23Å; I276-L279 HydrophobicContact CG1-CD2 4.44Å; I276-L279 HydrophobicContact CG2-CB 3.97Å; I276-L279 WeakPolarHBondContact O-CB 3.49Å; I276-L279 PolarHBondContact O-N 3.12Å; I276-L279 VanDerWaalsContact O-N 3.11Å; I276-S421 PolarHBondContact N-O 2.88Å; I276-L423 HydrophobicContact CD1-CB 3.99Å
277	P	87	Confident	85.5	Confident	58 Å²	58	55.1 Å²	55.1	38%	0.377	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	132.8	-179.3	-28.3	35.3	0	0	0	112.1	Q185 L189 L279	Q185-P277 PolarHBondContact NE2-O 3Å; L189-P277 HydrophobicContact CD1-CB 4.19Å; P277-L279 PolarHBondContact O-N 2.72Å
278	G	86.7	Confident	86.8	Confident	47 Å²	47	55.3 Å²	55.3	49%	0.485	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	0.7	178	0	0	0	0	0	116.1	I276 A281 R282	I276-G278 PolarHBondContact O-N 3.47Å; G278-A281 PolarHBondContact O-N 3.19Å; G278-R282 WeakPolarHBondContact O-CB 3.39Å; G278-R282 PolarHBondContact O-N 2.92Å
279	L	88.7	Confident	87.9	Confident	5 Å²	5	62.8 Å²	62.8	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-58.3	-55	-177.5	176	64.2	0	0	0	111.7	V181 I276 P277 A281 R282 L283 V416	V181-L279 HydrophobicContact CG1-CD1 4.29Å; I276-L279 HydrophobicContact CB-CB 3.85Å; I276-L279 HydrophobicContact CB-CD2 4Å; I276-L279 HydrophobicContact CB-CG 4.48Å; I276-L279 HydrophobicContact CD1-CD2 4.23Å; I276-L279 HydrophobicContact CG1-CD2 4.44Å; I276-L279 HydrophobicContact CG2-CB 3.97Å; I276-L279 WeakPolarHBondContact O-CB 3.49Å; I276-L279 PolarHBondContact O-N 3.12Å; I276-L279 VanDerWaalsContact O-N 3.11Å; P277-L279 PolarHBondContact O-N 2.72Å; L279-A281 VanDerWaalsContact C-N 3.34Å; L279-A281 PolarHBondContact O-N 2.72Å; L279-R282 VanDerWaalsContact CD1-NH2 3.34Å; L279-R282 PolarHBondContact O-N 3.25Å; L279-L283 HydrophobicContact CD1-CD1 3.94Å; L279-L283 HydrophobicContact CD1-CG 4.11Å; L279-L283 HydrophobicContact CG-CD1 4.06Å; L279-L283 HydrophobicContact CG-CG 4.48Å; L279-L283 WeakPolarHBondContact O-CG 3.41Å; L279-L283 PolarHBondContact O-N 3.4Å; L279-V416 HydrophobicContact CD2-CG1 3.97Å
280	T	88.1	Confident	88.7	Confident	29 Å²	29	64.3 Å²	64.3	18%	0.178	33%	0.333	C	S	.	.	H	α-helix	trans	-64.5	-39.4	-176.5	-58.1	0	0	0	0	111.6	R282 L283 N284 S421	T280-R282 PolarHBondContact O-N 3.44Å; T280-L283 PolarHBondContact O-N 3.42Å; T280-N284 WeakPolarHBondContact CG2-ND2 3.15Å; T280-N284 WeakPolarHBondContact O-CB 3.29Å; T280-N284 PolarHBondContact O-N 3.35Å; T280-N284 PolarHBondContact O-ND2 3.49Å; T280-S421 WeakPolarHBondContact OG1-CA 3.25Å; T280-S421 VanDerWaalsContact OG1-CB 3.26Å; T280-S421 WeakPolarHBondContact OG1-CB 3.23Å; T280-S421 PolarHBondContact OG1-OG 3.29Å
281	A	89.9	Confident	89.2	Confident	74 Å²	74	61.1 Å²	61.1	61%	0.612	33%	0.329	S	S	*	.	H	α-helix	trans	-60.3	-45.4	174.9	0	0	0	0	0	111.7	G278 L279 N284 S285	G278-A281 PolarHBondContact O-N 3.19Å; L279-A281 VanDerWaalsContact C-N 3.34Å; L279-A281 PolarHBondContact O-N 2.72Å; A281-N284 PolarHBondContact O-N 3.15Å; A281-S285 PolarHBondContact O-N 2.98Å
282	R	89.8	Confident	89.3	Confident	65 Å²	65	64.5 Å²	64.5	25%	0.245	34%	0.344	C	S	.	.	H	α-helix	trans	-65.4	-40.4	177.1	-179	178.5	63	-156.6	-4.5	112.7	G278 L279 T280 N284 S285 F286	G278-R282 WeakPolarHBondContact O-CB 3.39Å; G278-R282 PolarHBondContact O-N 2.92Å; L279-R282 VanDerWaalsContact CD1-NH2 3.34Å; L279-R282 PolarHBondContact O-N 3.25Å; T280-R282 PolarHBondContact O-N 3.44Å; R282-N284 VanDerWaalsContact C-N 3.3Å; R282-S285 PolarHBondContact O-N 3.49Å; R282-S285 PolarHBondContact O-OG 3.14Å; R282-F286 WeakPolarHBondContact O-CD2 3.27Å
283	L	92.8	Very high	88.4	Confident	7 Å²	7	63.3 Å²	63.3	4%	0.037	34%	0.343	C	S	.	.	H	α-helix	trans	-67.5	-35.3	178.4	-68.8	-178.7	0	0	0	111.5	L279 T280 S285 F286 Y338 F405 V416	L279-L283 HydrophobicContact CD1-CD1 3.94Å; L279-L283 HydrophobicContact CD1-CG 4.11Å; L279-L283 HydrophobicContact CG-CD1 4.06Å; L279-L283 HydrophobicContact CG-CG 4.48Å; L279-L283 WeakPolarHBondContact O-CG 3.41Å; L279-L283 PolarHBondContact O-N 3.4Å; T280-L283 PolarHBondContact O-N 3.42Å; L283-S285 PolarHBondContact O-N 2.99Å; L283-F286 PolarHBondContact O-N 3.24Å; L283-Y338 HydrophobicContact CB-CD1 3.99Å; L283-Y338 HydrophobicContact CB-CD2 3.82Å; L283-Y338 HydrophobicContact CB-CE1 4.08Å; L283-Y338 HydrophobicContact CB-CE2 3.89Å; L283-Y338 HydrophobicContact CB-CG 3.86Å; L283-Y338 HydrophobicContact CD1-CD2 4.17Å; L283-Y338 HydrophobicContact CD1-CE2 3.79Å; L283-Y338 HydrophobicContact CD2-CD2 4.48Å; L283-Y338 HydrophobicContact CG-CD2 4.38Å; L283-Y338 HydrophobicContact CG-CE2 4.39Å; L283-Y338 WeakPolarHBondContact O-CB 3.42Å; L283-Y338 WeakPolarHBondContact O-CD1 3.21Å; L283-F405 HydrophobicContact CD2-CB 3.8Å; L283-F405 HydrophobicContact CD2-CD1 4.12Å; L283-F405 HydrophobicContact CD2-CD2 3.48Å; L283-F405 VanDerWaalsContact CD2-CD2 3.48Å; L283-F405 HydrophobicContact CD2-CE2 4.05Å; L283-F405 HydrophobicContact CD2-CG 3.51Å; L283-V416 HydrophobicContact CD1-CB 4.36Å; L283-V416 HydrophobicContact CD1-CG1 3.73Å; L283-V416 HydrophobicContact CD1-CG2 3.83Å
284	N	94.3	Very high	87.4	Confident	58 Å²	58	67.5 Å²	67.5	31%	0.31	36%	0.36	S	S	.	.	H	α-helix	trans	-65.1	-21.1	177.4	-84.4	-61.4	0	0	0	114.2	T280 A281 R282 F286 R287	T280-N284 WeakPolarHBondContact CG2-ND2 3.15Å; T280-N284 WeakPolarHBondContact O-CB 3.29Å; T280-N284 PolarHBondContact O-N 3.35Å; T280-N284 PolarHBondContact O-ND2 3.49Å; A281-N284 PolarHBondContact O-N 3.15Å; R282-N284 VanDerWaalsContact C-N 3.3Å; N284-F286 PolarHBondContact O-N 3.05Å; N284-R287 VanDerWaalsContact O-CB 3.26Å; N284-R287 WeakPolarHBondContact O-CB 3.37Å; N284-R287 PolarHBondContact O-N 3Å; N284-R287 VanDerWaalsContact O-N 3.15Å; N284-R287 WeakPolarHBondContact OD1-CD 3.26Å
285	S	94.5	Very high	86.1	Confident	88 Å²	88	68.4 Å²	68.4	62%	0.615	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-16.3	172.2	72.8	0	0	0	0	113.2	A281 R282 L283	A281-S285 PolarHBondContact O-N 2.98Å; R282-S285 PolarHBondContact O-N 3.49Å; R282-S285 PolarHBondContact O-OG 3.14Å; L283-S285 PolarHBondContact O-N 2.99Å
286	F	95.3	Very high	84.6	Confident	69 Å²	69	67.8 Å²	67.8	30%	0.303	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	13.5	175.9	-54.5	-70.6	0	0	0	112.8	R282 L283 N284 V288 K336 Y337 Y338 F405	R282-F286 WeakPolarHBondContact O-CD2 3.27Å; L283-F286 PolarHBondContact O-N 3.24Å; N284-F286 PolarHBondContact O-N 3.05Å; F286-V288 PolarHBondContact O-N 3.49Å; F286-K336 HydrophobicContact CD1-CB 3.6Å; F286-K336 HydrophobicContact CE1-CB 3.86Å; F286-K336 HydrophobicContact CE1-CD 3.98Å; F286-K336 HydrophobicContact CG-CB 4.07Å; F286-K336 HydrophobicContact CZ-CD 4.05Å; F286-Y337 CarbonylContact O-C 3.59Å; F286-Y338 PolarHBondContact O-N 2.74Å; F286-F405 HydrophobicContact CB-CE2 4.31Å; F286-F405 AromaticContact CD2-CE2 3.66Å; F286-F405 HydrophobicContact CD2-CE2 3.66Å; F286-F405 HydrophobicContact CD2-CZ 4.39Å; F286-F405 HydrophobicContact CE2-CE2 4.22Å; F286-F405 HydrophobicContact CG-CE2 4.06Å
287	R	96.9	Very high	82.9	Confident	150 Å²	150	73 Å²	73	57%	0.566	39%	0.39	S	S	*	.	B	Isolated β-bridge	trans	-65.2	131.5	-170	-162	177.7	-158.6	-162.9	5.4	112	N284 Y338 E340	N284-R287 VanDerWaalsContact O-CB 3.26Å; N284-R287 WeakPolarHBondContact O-CB 3.37Å; N284-R287 PolarHBondContact O-N 3Å; N284-R287 VanDerWaalsContact O-N 3.15Å; N284-R287 WeakPolarHBondContact OD1-CD 3.26Å; R287-Y338 CarbonylContact C-O 3.6Å; R287-Y338 VanDerWaalsContact CA-O 3.32Å; R287-Y338 WeakPolarHBondContact CA-O 3.44Å; R287-Y338 HydrophobicContact CB-CD1 4.47Å; R287-Y338 HydrophobicContact CG-CD1 4.37Å; R287-E340 IonicContact CZ-OE2 3.31Å; R287-E340 IonicContact NE-OE2 3.4Å; R287-E340 IonicContact NH2-OE2 2.89Å; R287-E340 PolarHBondContact NH2-OE2 3.36Å
288	V	95.8	Very high	81.3	Confident	48 Å²	48	72 Å²	72	29%	0.291	38%	0.379	S	S	.	.			trans	-133.9	151.7	174.8	-66.7	0	0	0	0	111.5	F286 I290 Y337 Y338	F286-V288 PolarHBondContact O-N 3.49Å; V288-I290 HydrophobicContact CG2-CD1 3.88Å; V288-Y337 HydrophobicContact CG1-CD1 3.8Å; V288-Y337 HydrophobicContact CG1-CE1 4.48Å; V288-Y337 HydrophobicContact CG2-CD1 4.18Å; V288-Y338 PolarHBondContact N-O 3.4Å
289	K	93.2	Very high	79.4	Confident	208 Å²	208	72.4 Å²	72.4	90%	0.904	38%	0.384	S	S	*	.			trans	-87.7	116.2	172.5	-170.3	173	-177	174.7	0	110.1
290	I	90.8	Very high	77.5	Confident	32 Å²	32	80.8 Å²	80.8	16%	0.164	42%	0.416	C	S	.	.			trans	-87.8	132	172.8	-56.5	-52.8	0	0	0	109.6	V288 F292 F332 W339 P438	V288-I290 HydrophobicContact CG2-CD1 3.88Å; I290-F292 HydrophobicContact CB-CE2 4.44Å; I290-F292 HydrophobicContact CG2-CD2 4.29Å; I290-F292 HydrophobicContact CG2-CE1 4.24Å; I290-F292 HydrophobicContact CG2-CE2 3.78Å; I290-F292 HydrophobicContact CG2-CZ 3.75Å; I290-F332 HydrophobicContact CD1-CE2 3.84Å; I290-F332 HydrophobicContact CD1-CZ 3.64Å; I290-W339 HydrophobicContact CB-CG 4.44Å; I290-W339 HydrophobicContact CD1-CD2 4.22Å; I290-W339 HydrophobicContact CD1-CE3 4.2Å; I290-W339 HydrophobicContact CD1-CG 4.42Å; I290-W339 HydrophobicContact CG1-CB 3.71Å; I290-W339 HydrophobicContact CG1-CD2 3.61Å; I290-W339 HydrophobicContact CG1-CE3 4.09Å; I290-W339 HydrophobicContact CG1-CG 3.42Å; I290-W339 VanDerWaalsContact CG1-CG 3.42Å; I290-P438 HydrophobicContact CD1-CG 3.96Å; I290-P438 HydrophobicContact CG1-CG 4.21Å; I290-P438 HydrophobicContact CG2-CB 3.81Å; I290-P438 HydrophobicContact CG2-CG 3.8Å
291	S	86.8	Confident	75.4	Confident	51 Å²	51	85.7 Å²	85.7	36%	0.357	44%	0.442	S	S	.	.			trans	-114.7	140.7	170	50.5	0	0	0	0	108.6	G328 K329	S291-G328 CarbonylContact O-C 3.45Å; S291-G328 WeakPolarHBondContact O-CA 3.23Å; S291-K329 PolarHBondContact O-N 3.45Å; S291-K329 WeakPolarHBondContact OG-CD 3.31Å
292	F	82.1	Confident	73.4	Confident	70 Å²	70	87.2 Å²	87.2	31%	0.307	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	137.3	-178.4	-66.4	-90.3	0	0	0	110.8	I290 W327 K329 P438 F440	I290-F292 HydrophobicContact CB-CE2 4.44Å; I290-F292 HydrophobicContact CG2-CD2 4.29Å; I290-F292 HydrophobicContact CG2-CE1 4.24Å; I290-F292 HydrophobicContact CG2-CE2 3.78Å; I290-F292 HydrophobicContact CG2-CZ 3.75Å; F292-W327 CarbonylContact C-O 3.57Å; F292-W327 WeakPolarHBondContact CA-O 3.07Å; F292-W327 VanDerWaalsContact CD1-C 3.4Å; F292-W327 WeakPolarHBondContact CD1-O 3.27Å; F292-K329 VanDerWaalsContact O-CE 3.3Å; F292-K329 WeakPolarHBondContact O-CE 3.42Å; F292-P438 HydrophobicContact CE1-CB 4.2Å; F292-P438 HydrophobicContact CZ-CB 4.45Å; F292-F440 HydrophobicContact CD1-CB 4.45Å; F292-F440 HydrophobicContact CE1-CB 3.75Å; F292-F440 HydrophobicContact CZ-CB 3.95Å
293	K	63.9	Low	71.6	Confident	128 Å²	128	87 Å²	87	56%	0.557	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.3	170.3	-129.6	177.1	173.6	-175.7	0	104.7	W327 K329	K293-W327 PolarHBondContact N-O 2.89Å; K293-W327 VanDerWaalsContact O-O 3.05Å; K293-K329 HydrophobicContact CB-CB 4.47Å; K293-K329 HydrophobicContact CB-CG 3.6Å; K293-K329 HydrophobicContact CD-CG 4.21Å; K293-K329 HydrophobicContact CG-CD 4.32Å; K293-K329 HydrophobicContact CG-CG 3.81Å
294	H	57.8	Low	69.8	Low	101 Å²	101	94.5 Å²	94.5	47%	0.468	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	76.3	106.6	-173.5	-43.1	88.9	0	0	0	112.4	S326	H294-S326 WeakPolarHBondContact O-CA 3.26Å; H294-S326 PolarHBondContact O-OG 2.69Å
295	S	56.9	Low	67.9	Low	80 Å²	80	91.9 Å²	91.9	56%	0.559	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	102.1	159.5	54.1	0	0	0	0	106.1	V325	S295-V325 WeakPolarHBondContact CA-O 3.42Å
296	I	57.1	Low	65.9	Low	55 Å²	55	90 Å²	90	28%	0.282	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	130.5	175.7	-49.2	173.5	0	0	0	107.7	F298 V325	I296-F298 HydrophobicContact CB-CD2 4.31Å; I296-F298 HydrophobicContact CB-CE2 3.57Å; I296-F298 HydrophobicContact CB-CZ 3.88Å; I296-F298 HydrophobicContact CD1-CE2 4.47Å; I296-F298 HydrophobicContact CD1-CZ 4.25Å; I296-F298 HydrophobicContact CG2-CD1 4.36Å; I296-F298 HydrophobicContact CG2-CD2 3.97Å; I296-F298 HydrophobicContact CG2-CE1 3.78Å; I296-F298 HydrophobicContact CG2-CE2 3.33Å; I296-F298 HydrophobicContact CG2-CG 4.45Å; I296-F298 HydrophobicContact CG2-CZ 3.2Å; I296-V325 PolarHBondContact N-O 2.83Å; I296-V325 VanDerWaalsContact N-O 3.11Å; I296-V325 PolarHBondContact O-N 3.03Å
297	M	52.9	Low	63.9	Low	110 Å²	110	91.4 Å²	91.4	54%	0.542	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.4	177.2	-64.3	-101.9	-71.7	0	0	108.3	T322 H323	M297-T322 HydrophobicContact CE-CG2 3.3Å; M297-T322 HydrophobicContact SD-CG2 4.19Å; M297-H323 WeakPolarHBondContact CA-O 3.48Å
298	F	53.8	Low	61.8	Low	37 Å²	37	85 Å²	85	16%	0.162	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	141.9	179.6	-66.6	-77.1	0	0	0	112.2	I296 L311 H323 V325	I296-F298 HydrophobicContact CB-CD2 4.31Å; I296-F298 HydrophobicContact CB-CE2 3.57Å; I296-F298 HydrophobicContact CB-CZ 3.88Å; I296-F298 HydrophobicContact CD1-CE2 4.47Å; I296-F298 HydrophobicContact CD1-CZ 4.25Å; I296-F298 HydrophobicContact CG2-CD1 4.36Å; I296-F298 HydrophobicContact CG2-CD2 3.97Å; I296-F298 HydrophobicContact CG2-CE1 3.78Å; I296-F298 HydrophobicContact CG2-CE2 3.33Å; I296-F298 HydrophobicContact CG2-CG 4.45Å; I296-F298 HydrophobicContact CG2-CZ 3.2Å; F298-L311 HydrophobicContact CD2-CD2 4.49Å; F298-L311 HydrophobicContact CE1-CD2 4.15Å; F298-L311 HydrophobicContact CE2-CD2 3.49Å; F298-L311 VanDerWaalsContact CE2-CD2 3.49Å; F298-L311 HydrophobicContact CZ-CD2 3.28Å; F298-H323 PolarHBondContact N-O 3.28Å; F298-H323 PolarHBondContact O-N 2.6Å; F298-H323 PolarHBondContact O-ND1 2.65Å; F298-V325 HydrophobicContact CD2-CG2 4.12Å; F298-V325 HydrophobicContact CE2-CG2 4.1Å
299	G	46.4	Very low	59.4	Low	56 Å²	56	91.4 Å²	91.4	58%	0.577	46%	0.455	S	S	*	.			trans	-95.5	11	177	0	0	0	0	0	116
300	Y	48.7	Very low	57	Low	180 Å²	180	89.1 Å²	89.1	71%	0.706	45%	0.451	S	S	*	.			trans	-95.8	136.2	-177.8	-81	-81.5	0	0	0	113.7	S302 H323	Y300-S302 VanDerWaalsContact C-N 3.3Å; Y300-S302 PolarHBondContact O-N 3.38Å; Y300-H323 PolarHBondContact O-CE1 3.3Å
301	N	45	Very low	54.9	Low	133 Å²	133	89.6 Å²	89.6	71%	0.711	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	2.8	-179.4	-76	-27.2	0	0	0	115.4
302	S	47.3	Very low	52.6	Low	105 Å²	105	93.8 Å²	93.8	73%	0.734	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.2	18.2	-165.8	-164.3	0	0	0	0	117.2	Y300 R304	Y300-S302 VanDerWaalsContact C-N 3.3Å; Y300-S302 PolarHBondContact O-N 3.38Å; S302-R304 PolarHBondContact O-N 2.83Å
303	V	50.7	Low	50.7	Low	62 Å²	62	99.1 Å²	99.1	38%	0.376	49%	0.494	S	S	.	.			trans	-85.3	113	174.1	-174	0	0	0	0	109.2
304	R	55.3	Low	49.3	Very low	164 Å²	164	97.4 Å²	97.4	62%	0.619	50%	0.498	S	S	*	.			trans	-79.4	138.1	166.1	-61.6	-175.7	177.6	-168	0.7	108.6	S302 F306 D307	S302-R304 PolarHBondContact O-N 2.83Å; R304-F306 PolarHBondContact O-N 3.48Å; R304-D307 HydrophobicContact CB-CB 4.35Å; R304-D307 WeakPolarHBondContact CB-OD2 3.45Å; R304-D307 PolarHBondContact O-N 2.98Å
305	P	53.9	Low	48.4	Very low	3 Å²	3	99.4 Å²	99.4	2%	0.019	52%	0.518	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-17.5	176.1	-28.2	38.4	0	0	0	114.6	I308 R348 T350 E375 F441	P305-I308 WeakPolarHBondContact O-CD1 3.45Å; P305-I308 WeakPolarHBondContact O-CG1 3Å; P305-R348 VanDerWaalsContact CD-NH2 3.26Å; P305-T350 HydrophobicContact CB-CG2 4.12Å; P305-T350 VanDerWaalsContact CG-OG1 3.29Å; P305-T350 WeakPolarHBondContact CG-OG1 2.96Å; P305-E375 WeakPolarHBondContact CD-OE1 3.48Å; P305-E375 WeakPolarHBondContact CG-OE1 3.42Å; P305-F441 HydrophobicContact CB-CD1 4.45Å; P305-F441 HydrophobicContact CG-CD1 3.46Å; P305-F441 VanDerWaalsContact CG-CD1 3.46Å; P305-F441 HydrophobicContact CG-CE1 3.66Å; P305-F441 HydrophobicContact CG-CG 4.06Å; P305-F441 HydrophobicContact CG-CZ 4.37Å
306	F	53.5	Low	47.5	Very low	47 Å²	47	100.8 Å²	100.8	21%	0.206	53%	0.527	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-8.5	174.6	-61.7	-69.3	0	0	0	113.7	R304 I371 L373 E375 R388	R304-F306 PolarHBondContact O-N 3.48Å; F306-I371 HydrophobicContact CD1-CG2 4.4Å; F306-I371 HydrophobicContact CE1-CG2 4.32Å; F306-L373 HydrophobicContact CE1-CB 4.3Å; F306-E375 WeakPolarHBondContact CD2-OE2 3.43Å; F306-E375 HydrophobicContact CE2-CB 3.99Å; F306-E375 WeakPolarHBondContact CE2-OE2 3.3Å; F306-E375 HydrophobicContact CZ-CB 4.25Å; F306-R388 HydrophobicContact CE1-CB 4.28Å
307	D	53.2	Low	46.9	Very low	99 Å²	99	105.2 Å²	105.2	53%	0.529	55%	0.551	S	S	.	*			trans	-100.2	31.6	177.7	-66.1	-35	0	0	0	111.7	R304 R309	R304-D307 HydrophobicContact CB-CB 4.35Å; R304-D307 WeakPolarHBondContact CB-OD2 3.45Å; R304-D307 PolarHBondContact O-N 2.98Å; D307-R309 PolarHBondContact O-N 2.78Å
308	I	52.7	Low	46.2	Very low	15 Å²	15	106.6 Å²	106.6	8%	0.077	56%	0.56	C	S	.	*			trans	-70	63.3	176.9	-57.9	162.4	0	0	0	110.2	P305 L311 I371 F439	P305-I308 WeakPolarHBondContact O-CD1 3.45Å; P305-I308 WeakPolarHBondContact O-CG1 3Å; I308-L311 HydrophobicContact CG1-CD1 4.34Å; I308-L311 HydrophobicContact CG2-CD1 3.71Å; I308-L311 HydrophobicContact CG2-CG 4.16Å; I308-I371 HydrophobicContact CD1-CD1 4.46Å; I308-F439 HydrophobicContact CD1-CE1 4.43Å; I308-F439 HydrophobicContact CD1-CE2 3.88Å; I308-F439 HydrophobicContact CD1-CZ 3.63Å
309	R	45.5	Very low	45.6	Very low	184 Å²	184	109.6 Å²	109.6	69%	0.694	59%	0.586	S	S	*	*	S	Bend	trans	-98.7	-8.8	171.1	-71.8	-168.9	178.1	-145.9	1.7	112.9	D307 V365	D307-R309 PolarHBondContact O-N 2.78Å; R309-V365 HydrophobicContact CG-CG1 4.27Å
310	L	42.6	Very low	45.6	Very low	159 Å²	159	111.5 Å²	111.5	83%	0.832	60%	0.596	S	S	*	*			trans	-142.1	53.5	-168.5	-68.4	169.9	0	0	0	113.4
311	L	46	Very low	45.8	Very low	43 Å²	43	108 Å²	108	23%	0.225	59%	0.585	C	S	.	*			trans	-113.2	63.1	171.9	-62.6	177.6	0	0	0	110.3	F298 I308 V325 W327	F298-L311 HydrophobicContact CD2-CD2 4.49Å; F298-L311 HydrophobicContact CE1-CD2 4.15Å; F298-L311 HydrophobicContact CE2-CD2 3.49Å; F298-L311 VanDerWaalsContact CE2-CD2 3.49Å; F298-L311 HydrophobicContact CZ-CD2 3.28Å; I308-L311 HydrophobicContact CG1-CD1 4.34Å; I308-L311 HydrophobicContact CG2-CD1 3.71Å; I308-L311 HydrophobicContact CG2-CG 4.16Å; L311-V325 HydrophobicContact CD1-CG1 4.22Å; L311-W327 HydrophobicContact CD1-CH2 3.7Å; L311-W327 HydrophobicContact CD1-CZ2 4.34Å
312	H	40	Very low	46.5	Very low	139 Å²	139	104.4 Å²	104.4	64%	0.644	57%	0.567	S	S	*	*	S	Bend	trans	-120.3	118.8	159	-115.2	-88.7	0	0	0	107.7	R362	H312-R362 PolarHBondContact NE2-O 2.75Å
313	E	41.3	Very low	47.4	Very low	181 Å²	181	100.7 Å²	100.7	85%	0.846	54%	0.538	S	S	*	.			trans	37.7	101	163.7	-70	171.1	161.6	0	0	117.4
314	S	34.8	Very low	48.3	Very low	92 Å²	92	101.8 Å²	101.8	64%	0.643	54%	0.536	S	S	*	.			trans	-135.8	115.5	147.9	54	0	0	0	0	110.7
315	T	39.2	Very low	49.3	Very low	144 Å²	144	94.3 Å²	94.3	88%	0.883	51%	0.508	S	S	*	.			trans	-70.7	144.8	163.8	22.1	0	0	0	0	110.3
316	S	37.3	Very low	50.5	Low	109 Å²	109	94.5 Å²	94.5	76%	0.762	51%	0.51	S	S	*	.			trans	109.4	117.3	152.8	-166.4	0	0	0	0	119.3
317	L	44.3	Very low	52	Low	148 Å²	148	93.4 Å²	93.4	78%	0.775	50%	0.504	S	S	*	.			trans	65.8	138.4	141.8	-111.7	76.5	0	0	0	126.2
318	D	38.5	Very low	53.6	Low	139 Å²	139	88.8 Å²	88.8	74%	0.743	48%	0.48	S	S	*	.			trans	33.2	105.4	143.8	-79	-17.4	0	0	0	122.1
319	S	41.4	Very low	55.1	Low	99 Å²	99	93.3 Å²	93.3	69%	0.692	50%	0.499	S	S	*	.				164.4	138.9	90.2	58.6	0	0	0	0	111.6	K321	S319-K321 PolarHBondContact O-N 2.73Å
320	A	45.3	Very low	57.1	Low	97 Å²	97	91.8 Å²	91.8	80%	0.802	50%	0.497	S	S	*	.	S	Bend	trans	54.9	-11.7	158.4	0	0	0	0	0	123.9
321	K	53.5	Low	59.3	Low	107 Å²	107	86.1 Å²	86.1	47%	0.465	47%	0.471	S	S	.	.			trans	-138.5	93.8	172.6	-71.1	-175.1	-179.6	170.2	0	113.3	S319 H323	S319-K321 PolarHBondContact O-N 2.73Å; K321-H323 PolarHBondContact O-N 3.49Å; K321-H323 PolarHBondContact O-ND1 2.9Å
322	T	59.7	Low	61.5	Low	56 Å²	56	84.9 Å²	84.9	34%	0.344	46%	0.464	S	S	.	.			trans	-86.1	106.3	-172	56.5	0	0	0	0	111.1	M297 Y444	M297-T322 HydrophobicContact CE-CG2 3.3Å; M297-T322 HydrophobicContact SD-CG2 4.19Å; T322-Y444 WeakPolarHBondContact O-CD2 3.2Å
323	H	65.8	Low	64	Low	27 Å²	27	82.1 Å²	82.1	13%	0.125	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	135.4	166.8	-61.4	82.8	0	0	0	109.5	M297 F298 Y300 K321 F441 A443	M297-H323 WeakPolarHBondContact CA-O 3.48Å; F298-H323 PolarHBondContact N-O 3.28Å; F298-H323 PolarHBondContact O-N 2.6Å; F298-H323 PolarHBondContact O-ND1 2.65Å; Y300-H323 PolarHBondContact O-CE1 3.3Å; K321-H323 PolarHBondContact O-N 3.49Å; K321-H323 PolarHBondContact O-ND1 2.9Å; H323-F441 HydrophobicContact CB-CE2 3.96Å; H323-F441 HydrophobicContact CB-CZ 4.35Å; H323-F441 AromaticContact CD2-CZ 3.62Å; H323-A443 WeakPolarHBondContact CD2-CB 3.44Å
324	R	71.3	Confident	66.4	Low	86 Å²	86	82.7 Å²	82.7	33%	0.325	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117	176.3	-178	179.6	-71.6	168.3	0.2	109.5	F440 F441 A442 Y444	R324-F440 HydrophobicContact CG-CE1 4.3Å; R324-F441 CarbonylContact O-C 3.6Å; R324-F441 VanDerWaalsContact O-CA 3.24Å; R324-F441 WeakPolarHBondContact O-CA 3.45Å; R324-A442 PolarHBondContact N-O 2.76Å; R324-A442 PolarHBondContact O-N 2.95Å; R324-Y444 PolarHBondContact NH1-OH 3.38Å; R324-Y444 VanDerWaalsContact NH1-OH 3.13Å; R324-Y444 PolarHBondContact NH2-OH 3.19Å
325	V	76.2	Confident	69.2	Low	7 Å²	7	79.2 Å²	79.2	4%	0.042	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.4	169.7	-171.9	0	0	0	0	109	S295 I296 F298 L311 W327 F439 F441	S295-V325 WeakPolarHBondContact CA-O 3.42Å; I296-V325 PolarHBondContact N-O 2.83Å; I296-V325 VanDerWaalsContact N-O 3.11Å; I296-V325 PolarHBondContact O-N 3.03Å; F298-V325 HydrophobicContact CD2-CG2 4.12Å; F298-V325 HydrophobicContact CE2-CG2 4.1Å; L311-V325 HydrophobicContact CD1-CG1 4.22Å; V325-W327 HydrophobicContact CB-CZ3 4.33Å; V325-W327 HydrophobicContact CG1-CE3 4.24Å; V325-W327 HydrophobicContact CG1-CH2 3.48Å; V325-W327 VanDerWaalsContact CG1-CH2 3.48Å; V325-W327 HydrophobicContact CG1-CZ2 4.22Å; V325-W327 HydrophobicContact CG1-CZ3 3.48Å; V325-W327 VanDerWaalsContact CG1-CZ3 3.48Å; V325-F439 HydrophobicContact CG1-CE2 3.75Å; V325-F439 HydrophobicContact CG1-CZ 3.95Å; V325-F441 HydrophobicContact CB-CD2 4.43Å; V325-F441 HydrophobicContact CG2-CD2 3.55Å; V325-F441 HydrophobicContact CG2-CE2 3.96Å
326	S	79	Confident	71.9	Confident	7 Å²	7	76.7 Å²	76.7	5%	0.049	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	143.2	-176.4	-57.3	0	0	0	0	114.9	H294 F440	H294-S326 WeakPolarHBondContact O-CA 3.26Å; H294-S326 PolarHBondContact O-OG 2.69Å; S326-F440 PolarHBondContact N-O 2.94Å; S326-F440 PolarHBondContact O-N 2.84Å
327	W	84.3	Confident	74.7	Confident	23 Å²	23	74.3 Å²	74.3	9%	0.087	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	147.1	173.4	-71.2	-101.4	0	0	0	112.4	F292 K293 L311 V325 W358 P438 F439	F292-W327 CarbonylContact C-O 3.57Å; F292-W327 WeakPolarHBondContact CA-O 3.07Å; F292-W327 VanDerWaalsContact CD1-C 3.4Å; F292-W327 WeakPolarHBondContact CD1-O 3.27Å; K293-W327 PolarHBondContact N-O 2.89Å; K293-W327 VanDerWaalsContact O-O 3.05Å; L311-W327 HydrophobicContact CD1-CH2 3.7Å; L311-W327 HydrophobicContact CD1-CZ2 4.34Å; V325-W327 HydrophobicContact CB-CZ3 4.33Å; V325-W327 HydrophobicContact CG1-CE3 4.24Å; V325-W327 HydrophobicContact CG1-CH2 3.48Å; V325-W327 VanDerWaalsContact CG1-CH2 3.48Å; V325-W327 HydrophobicContact CG1-CZ2 4.22Å; V325-W327 HydrophobicContact CG1-CZ3 3.48Å; V325-W327 VanDerWaalsContact CG1-CZ3 3.48Å; W327-W358 HydrophobicContact CB-CH2 3.55Å; W327-W358 HydrophobicContact CB-CZ3 3.98Å; W327-W358 AromaticContact CD1-CH2 3.97Å; W327-W358 HydrophobicContact CD2-CH2 4.27Å; W327-W358 AromaticContact CG-CH2 3.66Å; W327-W358 HydrophobicContact CG-CH2 3.66Å; W327-W358 HydrophobicContact CG-CZ3 4.15Å; W327-P438 CarbonylContact C-O 3.54Å; W327-P438 WeakPolarHBondContact CA-O 3.4Å; W327-F439 HydrophobicContact CD2-CD2 4.23Å; W327-F439 HydrophobicContact CD2-CE2 4.42Å; W327-F439 AromaticContact CE2-CD2 3.77Å; W327-F439 AromaticContact CE2-CE2 3.82Å; W327-F439 HydrophobicContact CG-CD2 4.38Å; W327-F439 HydrophobicContact CH2-CE2 4.35Å; W327-F439 HydrophobicContact CZ2-CD2 4.21Å; W327-F439 AromaticContact CZ2-CE2 3.78Å; W327-F439 HydrophobicContact CZ2-CE2 3.78Å; W327-F439 AromaticContact NE1-CD2 3.63Å
328	G	86.3	Confident	77.2	Confident	2 Å²	2	67.3 Å²	67.3	2%	0.021	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	136.6	176.8	0	0	0	0	0	112.8	S291 K330 R437 P438	S291-G328 CarbonylContact O-C 3.45Å; S291-G328 WeakPolarHBondContact O-CA 3.23Å; G328-K330 PolarHBondContact O-N 2.87Å; G328-R437 PolarHBondContact O-NH1 3Å; G328-P438 PolarHBondContact N-O 3.08Å
329	K	84.7	Confident	80	Confident	111 Å²	111	61 Å²	61	48%	0.483	31%	0.314	S	S	.	.	S	Bend	trans	-58.4	-35.6	174.7	-73.9	-169.5	-177	-177.3	0	112.1	S291 F292 K293 R437	S291-K329 PolarHBondContact O-N 3.45Å; S291-K329 WeakPolarHBondContact OG-CD 3.31Å; F292-K329 VanDerWaalsContact O-CE 3.3Å; F292-K329 WeakPolarHBondContact O-CE 3.42Å; K293-K329 HydrophobicContact CB-CB 4.47Å; K293-K329 HydrophobicContact CB-CG 3.6Å; K293-K329 HydrophobicContact CD-CG 4.21Å; K293-K329 HydrophobicContact CG-CD 4.32Å; K293-K329 HydrophobicContact CG-CG 3.81Å; K329-R437 VanDerWaalsContact C-NH1 3.25Å; K329-R437 PolarHBondContact O-NH1 2.76Å
330	K	87.3	Confident	82.5	Confident	151 Å²	151	58.3 Å²	58.3	66%	0.657	29%	0.29	S	S	*	.	S	Bend	trans	-103.3	145.7	-178.6	-63.6	-174.2	178.6	-176.2	0	110.9	G328 F332	G328-K330 PolarHBondContact O-N 2.87Å; K330-F332 HydrophobicContact CB-CZ 4.36Å
331	S	89.8	Confident	84.7	Confident	40 Å²	40	54.5 Å²	54.5	28%	0.28	26%	0.257	S	S	.	.			trans	-101.9	147.2	170.3	-161.3	0	0	0	0	109.4	D356 A435	S331-D356 WeakPolarHBondContact CB-OD2 3.35Å; S331-D356 PolarHBondContact OG-OD2 2.9Å; S331-A435 WeakPolarHBondContact OG-CB 3.33Å
332	F	92.4	Very high	86.5	Confident	18 Å²	18	52.4 Å²	52.4	8%	0.079	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-122.9	122.9	-178	-59.3	-76.1	0	0	0	109.6	I290 K330 Y337 L406 A435 V436 P438	I290-F332 HydrophobicContact CD1-CE2 3.84Å; I290-F332 HydrophobicContact CD1-CZ 3.64Å; K330-F332 HydrophobicContact CB-CZ 4.36Å; F332-Y337 HydrophobicContact CB-CD2 4.19Å; F332-Y337 HydrophobicContact CB-CE2 3.96Å; F332-Y337 HydrophobicContact CD1-CD1 4.09Å; F332-Y337 AromaticContact CD1-CD2 3.64Å; F332-Y337 HydrophobicContact CD1-CD2 3.64Å; F332-Y337 AromaticContact CD1-CE1 3.87Å; F332-Y337 HydrophobicContact CD1-CE1 3.87Å; F332-Y337 AromaticContact CD1-CE2 3.37Å; F332-Y337 HydrophobicContact CD1-CE2 3.37Å; F332-Y337 AromaticContact CD1-CG 3.96Å; F332-Y337 HydrophobicContact CD1-CG 3.96Å; F332-Y337 AromaticContact CD1-CZ 3.49Å; F332-Y337 VanDerWaalsContact CD1-CZ 3.49Å; F332-Y337 AromaticContact CE1-CD1 3.89Å; F332-Y337 HydrophobicContact CE1-CD1 3.89Å; F332-Y337 HydrophobicContact CE1-CD2 4.21Å; F332-Y337 AromaticContact CE1-CE1 3.85Å; F332-Y337 HydrophobicContact CE1-CE1 3.85Å; F332-Y337 HydrophobicContact CE1-CE2 4.16Å; F332-Y337 HydrophobicContact CE1-CG 4.05Å; F332-Y337 AromaticContact CE1-CZ 3.98Å; F332-Y337 HydrophobicContact CG-CD2 4.01Å; F332-Y337 AromaticContact CG-CE2 3.97Å; F332-Y337 HydrophobicContact CG-CE2 3.97Å; F332-L406 HydrophobicContact CB-CD2 3.75Å; F332-L406 HydrophobicContact CD2-CD2 4.1Å; F332-L406 HydrophobicContact CG-CD2 4.09Å; F332-A435 CarbonylContact O-C 3.56Å; F332-A435 VanDerWaalsContact O-CA 3.26Å; F332-A435 WeakPolarHBondContact O-CA 3.46Å; F332-V436 PolarHBondContact N-O 2.82Å; F332-V436 PolarHBondContact O-N 3.48Å; F332-P438 HydrophobicContact CD2-CG 4.25Å; F332-P438 HydrophobicContact CE2-CG 3.66Å
333	S	91.5	Very high	87.7	Confident	81 Å²	81	50 Å²	50	57%	0.566	24%	0.236	S	C	*	.	S	Bend	trans	-123.1	-16	179.5	55.7	0	0	0	0	113.7
334	R	92	Very high	88.4	Confident	192 Å²	192	54.7 Å²	54.7	73%	0.725	26%	0.256	S	S	*	.	S	Bend	trans	-148.8	150.4	-178.4	-60.7	-179.6	68.7	-176.6	1.9	108.6	Y337	R334-Y337 WeakPolarHBondContact O-CE2 3.39Å; R334-Y337 PolarHBondContact O-OH 2.79Å
335	G	93.6	Very high	88.8	Confident	19 Å²	19	55.5 Å²	55.5	20%	0.196	27%	0.267	C	S	.	.	S	Bend	trans	95.6	175.7	179.1	0	0	0	0	0	114.5	C408 E409	G335-C408 VanDerWaalsContact O-CB 3.26Å; G335-C408 WeakPolarHBondContact O-CB 3.35Å; G335-C408 PolarHBondContact O-N 2.83Å; G335-E409 VanDerWaalsContact C-OE2 3.22Å; G335-E409 VanDerWaalsContact CA-OE1 3.25Å; G335-E409 WeakPolarHBondContact CA-OE1 3.41Å; G335-E409 WeakPolarHBondContact CA-OE2 3.38Å; G335-E409 VanDerWaalsContact N-CD 3.28Å; G335-E409 PolarHBondContact N-OE1 3.41Å; G335-E409 PolarHBondContact N-OE2 3.06Å
336	K	95	Very high	89	Confident	91 Å²	91	56.3 Å²	56.3	40%	0.396	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136	175.8	-66.4	173.1	-176.8	176.5	0	110	F286 F405 L406 D407	F286-K336 HydrophobicContact CD1-CB 3.6Å; F286-K336 HydrophobicContact CE1-CB 3.86Å; F286-K336 HydrophobicContact CE1-CD 3.98Å; F286-K336 HydrophobicContact CG-CB 4.07Å; F286-K336 HydrophobicContact CZ-CD 4.05Å; K336-F405 HydrophobicContact CB-CE2 4.14Å; K336-F405 HydrophobicContact CB-CZ 4.22Å; K336-F405 HydrophobicContact CD-CZ 4.23Å; K336-F405 HydrophobicContact CG-CZ 4.28Å; K336-L406 CarbonylContact C-O 3.33Å; K336-L406 VanDerWaalsContact CA-O 3.3Å; K336-L406 WeakPolarHBondContact CA-O 3.49Å; K336-D407 WeakPolarHBondContact CE-OD2 3.25Å; K336-D407 HydrophobicContact CG-CB 4.34Å
337	Y	96.7	Very high	88.9	Confident	60 Å²	60	61.8 Å²	61.8	24%	0.235	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	143.2	-173.5	-56.1	-76.1	0	0	0	111.3	F286 V288 F332 R334 F405 L406	F286-Y337 CarbonylContact O-C 3.59Å; V288-Y337 HydrophobicContact CG1-CD1 3.8Å; V288-Y337 HydrophobicContact CG1-CE1 4.48Å; V288-Y337 HydrophobicContact CG2-CD1 4.18Å; F332-Y337 HydrophobicContact CB-CD2 4.19Å; F332-Y337 HydrophobicContact CB-CE2 3.96Å; F332-Y337 HydrophobicContact CD1-CD1 4.09Å; F332-Y337 AromaticContact CD1-CD2 3.64Å; F332-Y337 HydrophobicContact CD1-CD2 3.64Å; F332-Y337 AromaticContact CD1-CE1 3.87Å; F332-Y337 HydrophobicContact CD1-CE1 3.87Å; F332-Y337 AromaticContact CD1-CE2 3.37Å; F332-Y337 HydrophobicContact CD1-CE2 3.37Å; F332-Y337 AromaticContact CD1-CG 3.96Å; F332-Y337 HydrophobicContact CD1-CG 3.96Å; F332-Y337 AromaticContact CD1-CZ 3.49Å; F332-Y337 VanDerWaalsContact CD1-CZ 3.49Å; F332-Y337 AromaticContact CE1-CD1 3.89Å; F332-Y337 HydrophobicContact CE1-CD1 3.89Å; F332-Y337 HydrophobicContact CE1-CD2 4.21Å; F332-Y337 AromaticContact CE1-CE1 3.85Å; F332-Y337 HydrophobicContact CE1-CE1 3.85Å; F332-Y337 HydrophobicContact CE1-CE2 4.16Å; F332-Y337 HydrophobicContact CE1-CG 4.05Å; F332-Y337 AromaticContact CE1-CZ 3.98Å; F332-Y337 HydrophobicContact CG-CD2 4.01Å; F332-Y337 AromaticContact CG-CE2 3.97Å; F332-Y337 HydrophobicContact CG-CE2 3.97Å; R334-Y337 WeakPolarHBondContact O-CE2 3.39Å; R334-Y337 PolarHBondContact O-OH 2.79Å; Y337-F405 CarbonylContact O-C 3.49Å; Y337-F405 WeakPolarHBondContact O-CA 3.3Å; Y337-F405 WeakPolarHBondContact O-CD2 3.36Å; Y337-L406 HydrophobicContact CD2-CD2 4.14Å; Y337-L406 PolarHBondContact N-O 3.15Å; Y337-L406 PolarHBondContact O-N 2.84Å
338	Y	97.2	Very high	88.9	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	136.3	175.7	178.3	-112.8	0	0	0	111	L283 F286 R287 V288 E340 V404 F405 V416	L283-Y338 HydrophobicContact CB-CD1 3.99Å; L283-Y338 HydrophobicContact CB-CD2 3.82Å; L283-Y338 HydrophobicContact CB-CE1 4.08Å; L283-Y338 HydrophobicContact CB-CE2 3.89Å; L283-Y338 HydrophobicContact CB-CG 3.86Å; L283-Y338 HydrophobicContact CD1-CD2 4.17Å; L283-Y338 HydrophobicContact CD1-CE2 3.79Å; L283-Y338 HydrophobicContact CD2-CD2 4.48Å; L283-Y338 HydrophobicContact CG-CD2 4.38Å; L283-Y338 HydrophobicContact CG-CE2 4.39Å; L283-Y338 WeakPolarHBondContact O-CB 3.42Å; L283-Y338 WeakPolarHBondContact O-CD1 3.21Å; F286-Y338 PolarHBondContact O-N 2.74Å; R287-Y338 CarbonylContact C-O 3.6Å; R287-Y338 VanDerWaalsContact CA-O 3.32Å; R287-Y338 WeakPolarHBondContact CA-O 3.44Å; R287-Y338 HydrophobicContact CB-CD1 4.47Å; R287-Y338 HydrophobicContact CG-CD1 4.37Å; V288-Y338 PolarHBondContact N-O 3.4Å; Y338-E340 HydrophobicContact CE1-CG 3.77Å; Y338-E340 VanDerWaalsContact CE1-OE1 3.26Å; Y338-E340 WeakPolarHBondContact CE1-OE1 3.17Å; Y338-E340 VanDerWaalsContact OH-CG 3.23Å; Y338-E340 WeakPolarHBondContact OH-CG 3.23Å; Y338-E340 PolarHBondContact OH-OE1 2.84Å; Y338-V404 WeakPolarHBondContact CA-O 3.1Å; Y338-V404 WeakPolarHBondContact CD2-O 3.48Å; Y338-F405 HydrophobicContact CD2-CB 4.14Å; Y338-V416 HydrophobicContact CE2-CG2 3.97Å
339	W	96.5	Very high	88.9	Confident	8 Å²	8	63.4 Å²	63.4	3%	0.03	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	161.1	170.8	68	93.5	0	0	0	110.9	I290 V353 G403 V404 L406 P438	I290-W339 HydrophobicContact CB-CG 4.44Å; I290-W339 HydrophobicContact CD1-CD2 4.22Å; I290-W339 HydrophobicContact CD1-CE3 4.2Å; I290-W339 HydrophobicContact CD1-CG 4.42Å; I290-W339 HydrophobicContact CG1-CB 3.71Å; I290-W339 HydrophobicContact CG1-CD2 3.61Å; I290-W339 HydrophobicContact CG1-CE3 4.09Å; I290-W339 HydrophobicContact CG1-CG 3.42Å; I290-W339 VanDerWaalsContact CG1-CG 3.42Å; W339-V353 HydrophobicContact CH2-CG1 3.62Å; W339-V353 HydrophobicContact CZ2-CG1 4.05Å; W339-G403 CarbonylContact O-C 3.43Å; W339-G403 WeakPolarHBondContact O-CA 3.42Å; W339-V404 HydrophobicContact CD2-CB 4.01Å; W339-V404 HydrophobicContact CE3-CB 4.44Å; W339-V404 HydrophobicContact CH2-CB 4.08Å; W339-V404 HydrophobicContact CH2-CG1 3.53Å; W339-V404 HydrophobicContact CZ2-CB 3.61Å; W339-V404 HydrophobicContact CZ2-CG1 3.35Å; W339-V404 HydrophobicContact CZ2-CG2 4.18Å; W339-V404 HydrophobicContact CZ3-CB 4.47Å; W339-V404 HydrophobicContact CZ3-CG1 4.21Å; W339-V404 PolarHBondContact N-O 2.83Å; W339-V404 PolarHBondContact O-N 3.33Å; W339-L406 HydrophobicContact CH2-CB 4.23Å; W339-L406 HydrophobicContact CZ3-CB 3.9Å; W339-L406 HydrophobicContact CZ3-CD2 4.44Å; W339-P438 HydrophobicContact CH2-CG 4.24Å; W339-P438 HydrophobicContact CZ2-CB 3.94Å; W339-P438 HydrophobicContact CZ2-CG 4.09Å
340	E	95.3	Very high	89.1	Confident	41 Å²	41	58.1 Å²	58.1	19%	0.192	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	144.4	-177.2	-67.5	165.8	168.5	0	0	109.9	R287 Y338 V418	R287-E340 IonicContact CZ-OE2 3.31Å; R287-E340 IonicContact NE-OE2 3.4Å; R287-E340 IonicContact NH2-OE2 2.89Å; R287-E340 PolarHBondContact NH2-OE2 3.36Å; Y338-E340 HydrophobicContact CE1-CG 3.77Å; Y338-E340 VanDerWaalsContact CE1-OE1 3.26Å; Y338-E340 WeakPolarHBondContact CE1-OE1 3.17Å; Y338-E340 VanDerWaalsContact OH-CG 3.23Å; Y338-E340 WeakPolarHBondContact OH-CG 3.23Å; Y338-E340 PolarHBondContact OH-OE1 2.84Å; E340-V418 HydrophobicContact CG-CG2 3.9Å
341	V	91.7	Very high	89.3	Confident	17 Å²	17	51 Å²	51	10%	0.103	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122.4	179.3	-172.6	0	0	0	0	108.6	L343 V351 Q401 V402 F440	V341-L343 HydrophobicContact CB-CG 4.38Å; V341-L343 HydrophobicContact CG1-CD1 4.48Å; V341-L343 HydrophobicContact CG1-CD2 3.82Å; V341-L343 HydrophobicContact CG1-CG 3.97Å; V341-V351 HydrophobicContact CB-CG2 4.35Å; V341-V351 HydrophobicContact CG2-CG2 3.77Å; V341-Q401 VanDerWaalsContact O-CA 3.31Å; V341-Q401 WeakPolarHBondContact O-CA 3.22Å; V341-V402 PolarHBondContact N-O 3Å; V341-V402 PolarHBondContact O-N 3.26Å; V341-F440 HydrophobicContact CG1-CD2 3.8Å; V341-F440 HydrophobicContact CG1-CE2 3.63Å
342	D	89.8	Confident	89.4	Confident	64 Å²	64	49 Å²	49	34%	0.342	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	119.9	172.9	-170.4	-4.9	0	0	0	109.8	K344 Q401	D342-K344 WeakPolarHBondContact OD1-CD 3.42Å; D342-K344 WeakPolarHBondContact OD1-CG 3.4Å; D342-K344 PolarHBondContact OD1-N 2.9Å; D342-K344 IonicContact OD2-NZ 3.58Å; D342-K344 PolarHBondContact OD2-NZ 3.48Å; D342-Q401 HydrophobicContact CB-CG 4.12Å
343	L	85.4	Confident	89.3	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.021	22%	0.223	C	C	.	.			trans	-123.6	8.3	-171	-66.6	169	0	0	0	112.5	V341 D345 Y346 W349 V351 G400 V402 F440	V341-L343 HydrophobicContact CB-CG 4.38Å; V341-L343 HydrophobicContact CG1-CD1 4.48Å; V341-L343 HydrophobicContact CG1-CD2 3.82Å; V341-L343 HydrophobicContact CG1-CG 3.97Å; L343-D345 VanDerWaalsContact C-N 3.31Å; L343-D345 PolarHBondContact O-N 2.85Å; L343-Y346 HydrophobicContact CD2-CD2 4.27Å; L343-Y346 PolarHBondContact O-N 3.01Å; L343-W349 HydrophobicContact CB-CD2 4.42Å; L343-W349 HydrophobicContact CB-CG 4.31Å; L343-W349 HydrophobicContact CD1-CD2 3.62Å; L343-W349 HydrophobicContact CD1-CE3 3.72Å; L343-W349 HydrophobicContact CD1-CG 4.16Å; L343-W349 HydrophobicContact CD1-CH2 4.11Å; L343-W349 HydrophobicContact CD1-CZ2 3.98Å; L343-W349 HydrophobicContact CD1-CZ3 3.98Å; L343-W349 HydrophobicContact CD2-CB 3.77Å; L343-W349 HydrophobicContact CD2-CD2 4.12Å; L343-W349 HydrophobicContact CD2-CG 3.77Å; L343-W349 HydrophobicContact CG-CD2 4.27Å; L343-W349 HydrophobicContact CG-CG 4.3Å; L343-V351 HydrophobicContact CD1-CG1 4.48Å; L343-G400 PolarHBondContact N-O 3.15Å; L343-V402 HydrophobicContact CD1-CB 3.77Å; L343-V402 HydrophobicContact CD1-CG2 3.69Å; L343-F440 HydrophobicContact CD2-CE2 3.63Å; L343-F440 HydrophobicContact CD2-CZ 4.43Å
344	K	81.1	Confident	89.1	Confident	126 Å²	126	44.4 Å²	44.4	55%	0.548	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-38.4	-171.8	75.5	-166.4	179.7	-161.2	0	113.7	D342 Y346 G400	D342-K344 WeakPolarHBondContact OD1-CD 3.42Å; D342-K344 WeakPolarHBondContact OD1-CG 3.4Å; D342-K344 PolarHBondContact OD1-N 2.9Å; D342-K344 IonicContact OD2-NZ 3.58Å; D342-K344 PolarHBondContact OD2-NZ 3.48Å; K344-Y346 VanDerWaalsContact C-N 3.34Å; K344-Y346 PolarHBondContact O-N 3.45Å; K344-G400 PolarHBondContact N-O 3.23Å
345	D	79.6	Confident	88.7	Confident	104 Å²	104	37.8 Å²	37.8	56%	0.556	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-2.4	-171.7	-59	-47.7	0	0	0	113.2	L343	L343-D345 VanDerWaalsContact C-N 3.31Å; L343-D345 PolarHBondContact O-N 2.85Å
346	Y	78.9	Confident	87.8	Confident	23 Å²	23	37.4 Å²	37.4	9%	0.09	17%	0.167	C	C	.	.			trans	-103.2	130.8	-174.7	-56.6	-84	0	0	0	112.3	L343 K344 F440 A442 Y444	L343-Y346 HydrophobicContact CD2-CD2 4.27Å; L343-Y346 PolarHBondContact O-N 3.01Å; K344-Y346 VanDerWaalsContact C-N 3.34Å; K344-Y346 PolarHBondContact O-N 3.45Å; Y346-F440 HydrophobicContact CE2-CZ 4.33Å; Y346-A442 HydrophobicContact CD1-CB 3.29Å; Y346-A442 HydrophobicContact CD2-CB 4.26Å; Y346-A442 HydrophobicContact CE1-CB 3.46Å; Y346-A442 VanDerWaalsContact CE1-CB 3.46Å; Y346-A442 HydrophobicContact CE2-CB 4.44Å; Y346-A442 HydrophobicContact CG-CB 3.68Å; Y346-Y444 AromaticContact CD1-CD1 3.89Å; Y346-Y444 HydrophobicContact CD1-CD1 3.89Å; Y346-Y444 AromaticContact CD1-CE1 3.88Å; Y346-Y444 HydrophobicContact CD1-CE1 3.88Å; Y346-Y444 HydrophobicContact CD1-CG 4.26Å; Y346-Y444 AromaticContact CE1-CD1 3.64Å; Y346-Y444 HydrophobicContact CE1-CD1 3.64Å; Y346-Y444 HydrophobicContact CE1-CD2 4.06Å; Y346-Y444 AromaticContact CE1-CE1 3.18Å; Y346-Y444 HydrophobicContact CE1-CE1 3.18Å; Y346-Y444 AromaticContact CE1-CE2 3.66Å; Y346-Y444 HydrophobicContact CE1-CE2 3.66Å; Y346-Y444 HydrophobicContact CE1-CG 4.08Å; Y346-Y444 AromaticContact CE1-CZ 3.22Å; Y346-Y444 AromaticContact CZ-CE1 3.68Å; Y346-Y444 AromaticContact CZ-CZ 3.66Å; Y346-Y444 PolarHBondContact OH-OH 3.27Å
347	R	77.3	Confident	86.4	Confident	122 Å²	122	33.9 Å²	33.9	46%	0.46	15%	0.153	S	C	.	.	S	Bend	trans	-76.2	-28.4	174.2	-73.8	-172.2	173.5	-176.8	5.2	112.8	T445	R347-T445 HydrophobicContact CG-CG2 4.22Å
348	R	84.3	Confident	85	Confident	56 Å²	56	36.9 Å²	36.9	21%	0.211	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	134.4	177.3	179.5	178.4	-174.1	169.8	7.5	109.1	P305 E375 C376 L377 F441 A442 A443	P305-R348 VanDerWaalsContact CD-NH2 3.26Å; R348-E375 IonicContact CZ-OE1 3Å; R348-E375 IonicContact NE-OE1 3.37Å; R348-E375 PolarHBondContact NE-OE1 3.44Å; R348-E375 IonicContact NH2-OE1 3.67Å; R348-E375 PolarHBondContact NH2-OE1 2.82Å; R348-C376 WeakPolarHBondContact CA-O 3.43Å; R348-L377 HydrophobicContact CG-CD2 3.88Å; R348-L377 VanDerWaalsContact CZ-CD2 3.47Å; R348-F441 HydrophobicContact CG-CE1 4.39Å; R348-A442 WeakPolarHBondContact O-CA 3.43Å; R348-A443 HydrophobicContact CB-CB 4.18Å; R348-A443 PolarHBondContact O-N 3.02Å
349	W	87.1	Confident	83.2	Confident	3 Å²	3	42.5 Å²	42.5	1%	0.011	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	160.7	177.7	52.8	-103.8	0	0	0	112	L343 V351 L374 E375 C376 L385 P398 V402 F441 A442	L343-W349 HydrophobicContact CB-CD2 4.42Å; L343-W349 HydrophobicContact CB-CG 4.31Å; L343-W349 HydrophobicContact CD1-CD2 3.62Å; L343-W349 HydrophobicContact CD1-CE3 3.72Å; L343-W349 HydrophobicContact CD1-CG 4.16Å; L343-W349 HydrophobicContact CD1-CH2 4.11Å; L343-W349 HydrophobicContact CD1-CZ2 3.98Å; L343-W349 HydrophobicContact CD1-CZ3 3.98Å; L343-W349 HydrophobicContact CD2-CB 3.77Å; L343-W349 HydrophobicContact CD2-CD2 4.12Å; L343-W349 HydrophobicContact CD2-CG 3.77Å; L343-W349 HydrophobicContact CG-CD2 4.27Å; L343-W349 HydrophobicContact CG-CG 4.3Å; W349-V351 HydrophobicContact CE3-CG1 4.21Å; W349-V351 HydrophobicContact CZ3-CG1 3.9Å; W349-L374 HydrophobicContact CH2-CD2 4Å; W349-L374 HydrophobicContact CH2-CG 4.28Å; W349-L374 HydrophobicContact CZ3-CD2 4.07Å; W349-L374 HydrophobicContact CZ3-CG 4.03Å; W349-E375 CarbonylContact O-C 3.52Å; W349-E375 WeakPolarHBondContact O-CA 3.37Å; W349-C376 HydrophobicContact CD2-CB 3.49Å; W349-C376 VanDerWaalsContact CD2-CB 3.49Å; W349-C376 HydrophobicContact CE3-CB 3.9Å; W349-C376 HydrophobicContact CG-CB 4.11Å; W349-C376 HydrophobicContact CH2-CB 3.74Å; W349-C376 HydrophobicContact CZ2-CB 3.32Å; W349-C376 HydrophobicContact CZ3-CB 4.01Å; W349-C376 PolarHBondContact N-O 3.42Å; W349-C376 VanDerWaalsContact N-O 3.14Å; W349-C376 PolarHBondContact O-N 3.01Å; W349-L385 HydrophobicContact CH2-CD2 3.97Å; W349-L385 HydrophobicContact CZ2-CD2 4.3Å; W349-P398 HydrophobicContact CH2-CG 4.18Å; W349-P398 HydrophobicContact CZ2-CG 3.92Å; W349-V402 HydrophobicContact CH2-CG2 3.85Å; W349-V402 HydrophobicContact CZ2-CG2 4.14Å; W349-F441 CarbonylContact C-O 3.56Å; W349-F441 WeakPolarHBondContact CA-O 3.33Å; W349-A442 HydrophobicContact CB-CB 4.12Å
350	T	87.8	Confident	81.3	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	132.7	173.2	-50.7	0	0	0	0	109	P305 L373 L374 E375 F439 F440 F441	P305-T350 HydrophobicContact CB-CG2 4.12Å; P305-T350 VanDerWaalsContact CG-OG1 3.29Å; P305-T350 WeakPolarHBondContact CG-OG1 2.96Å; T350-L373 HydrophobicContact CG2-CB 3.58Å; T350-L373 HydrophobicContact CG2-CD1 3.6Å; T350-L373 HydrophobicContact CG2-CD2 4.46Å; T350-L373 HydrophobicContact CG2-CG 4.05Å; T350-L374 CarbonylContact C-O 3.57Å; T350-L374 VanDerWaalsContact CA-O 3.29Å; T350-L374 WeakPolarHBondContact CA-O 3.39Å; T350-E375 HydrophobicContact CG2-CB 4.02Å; T350-E375 VanDerWaalsContact OG1-CG 3.3Å; T350-E375 WeakPolarHBondContact OG1-CG 3.47Å; T350-F439 HydrophobicContact CG2-CE1 4.47Å; T350-F440 CarbonylContact O-C 3.55Å; T350-F440 WeakPolarHBondContact O-CA 3.36Å; T350-F441 PolarHBondContact N-O 3.18Å; T350-F441 PolarHBondContact O-N 2.94Å
351	V	91.6	Very high	79.3	Confident	1 Å²	1	52 Å²	52	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	148.5	-177.2	69.7	0	0	0	0	110.1	V341 L343 W349 L373 L374 V402 V404 F415	V341-V351 HydrophobicContact CB-CG2 4.35Å; V341-V351 HydrophobicContact CG2-CG2 3.77Å; L343-V351 HydrophobicContact CD1-CG1 4.48Å; W349-V351 HydrophobicContact CE3-CG1 4.21Å; W349-V351 HydrophobicContact CZ3-CG1 3.9Å; V351-L373 WeakPolarHBondContact O-CA 3.21Å; V351-L374 PolarHBondContact N-O 2.94Å; V351-L374 PolarHBondContact O-N 3.06Å; V351-V402 HydrophobicContact CG1-CG1 4.12Å; V351-V404 HydrophobicContact CG1-CG2 4.41Å; V351-V404 HydrophobicContact CG2-CG2 3.78Å; V351-F415 HydrophobicContact CG1-CD1 4.19Å; V351-F415 HydrophobicContact CG1-CE1 4.08Å; V351-F415 VanDerWaalsContact O-CE1 3.23Å; V351-F415 WeakPolarHBondContact O-CE1 3Å
352	G	92.6	Very high	77.2	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.9	-138.6	172.4	0	0	0	0	0	111.2	F372 P438 F439	G352-F372 WeakPolarHBondContact CA-O 3.41Å; G352-P438 WeakPolarHBondContact O-CA 3.36Å; G352-F439 PolarHBondContact N-O 3.37Å; G352-F439 VanDerWaalsContact N-O 3.13Å; G352-F439 PolarHBondContact O-N 3.27Å
353	V	91.1	Very high	75.4	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	149.3	-180	-61.2	0	0	0	0	112.1	W339 F372 L406 V413 V436 R437	W339-V353 HydrophobicContact CH2-CG1 3.62Å; W339-V353 HydrophobicContact CZ2-CG1 4.05Å; V353-F372 HydrophobicContact CG2-CB 3.97Å; V353-F372 HydrophobicContact CG2-CD2 4.12Å; V353-F372 PolarHBondContact N-O 3.35Å; V353-F372 CarbonylContact O-C 3.6Å; V353-F372 WeakPolarHBondContact O-CA 3.26Å; V353-F372 PolarHBondContact O-N 3.46Å; V353-L406 HydrophobicContact CG1-CD1 4.46Å; V353-L406 HydrophobicContact CG1-CD2 4.46Å; V353-L406 HydrophobicContact CG2-CD1 4.39Å; V353-V413 HydrophobicContact CG2-CB 4.32Å; V353-V413 HydrophobicContact CG2-CG1 4.39Å; V353-V413 HydrophobicContact CG2-CG2 4.46Å; V353-V436 HydrophobicContact CB-CB 4.09Å; V353-V436 HydrophobicContact CB-CG2 4.14Å; V353-V436 HydrophobicContact CG1-CG2 4.4Å; V353-V436 HydrophobicContact CG2-CB 4.25Å; V353-V436 HydrophobicContact CG2-CG2 4.19Å; V353-R437 CarbonylContact C-O 3.53Å; V353-R437 WeakPolarHBondContact CA-O 3.33Å
354	C	86.3	Confident	73.9	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.007	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	152.3	171.6	-59.2	0	0	0	0	109.2	D356 D370 V436 R437	C354-D356 PolarHBondContact O-N 3.44Å; C354-D370 CarbonylContact C-O 3.52Å; C354-D370 WeakPolarHBondContact CA-O 3.47Å; C354-V436 CarbonylContact O-C 3.58Å; C354-V436 WeakPolarHBondContact O-CA 3.26Å; C354-V436 WeakPolarHBondContact O-CB 3.32Å; C354-R437 PolarHBondContact N-O 3.17Å; C354-R437 PolarHBondContact O-N 3.38Å
355	K	83.3	Confident	72.8	Confident	53 Å²	53	64.9 Å²	64.9	23%	0.23	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	142.8	169	-61.6	-169.6	-174.6	154.2	0	109.6	P357 D370 C434	K355-P357 WeakPolarHBondContact O-CD 3.44Å; K355-D370 HydrophobicContact CB-CB 3.98Å; K355-D370 HydrophobicContact CD-CB 3.92Å; K355-D370 WeakPolarHBondContact CD-OD1 3.34Å; K355-D370 VanDerWaalsContact CE-OD1 3.23Å; K355-D370 WeakPolarHBondContact CE-OD1 3.43Å; K355-D370 HydrophobicContact CG-CB 3.83Å; K355-D370 PolarHBondContact N-O 3.46Å; K355-D370 IonicContact NZ-OD1 3.62Å; K355-D370 PolarHBondContact NZ-OD1 3.4Å; K355-C434 WeakPolarHBondContact CD-SG 3.37Å; K355-C434 VanDerWaalsContact CE-SG 3.5Å; K355-C434 WeakPolarHBondContact CG-SG 3.21Å
356	D	76	Confident	71.8	Confident	12 Å²	12	60.6 Å²	60.6	6%	0.064	28%	0.283	C	S	.	.			trans	-61.3	107.6	-177	-170.5	-14.5	0	0	0	110.8	S331 C354 W358 L359 A435 R437	S331-D356 WeakPolarHBondContact CB-OD2 3.35Å; S331-D356 PolarHBondContact OG-OD2 2.9Å; C354-D356 PolarHBondContact O-N 3.44Å; D356-W358 PolarHBondContact O-N 3.34Å; D356-W358 WeakPolarHBondContact OD1-CB 3.33Å; D356-W358 PolarHBondContact OD1-N 2.8Å; D356-L359 HydrophobicContact CB-CB 4.48Å; D356-L359 HydrophobicContact CB-CD1 3.78Å; D356-L359 HydrophobicContact CB-CG 3.82Å; D356-L359 PolarHBondContact O-N 2.89Å; D356-A435 HydrophobicContact CB-CB 4.34Å; D356-A435 PolarHBondContact N-O 3.48Å; D356-R437 HydrophobicContact CB-CG 4.3Å; D356-R437 IonicContact OD1-CZ 2.73Å; D356-R437 IonicContact OD1-NE 3.62Å; D356-R437 PolarHBondContact OD1-NE 3.19Å; D356-R437 IonicContact OD1-NH2 2.76Å; D356-R437 IonicContact OD2-CZ 3.69Å; D356-R437 IonicContact OD2-NE 2.83Å; D356-R437 PolarHBondContact OD2-NE 2.82Å; D356-R437 IonicContact OD2-NH2 3.32Å; D356-R437 PolarHBondContact OD2-NH2 2.82Å
357	P	65.5	Low	71	Confident	17 Å²	17	61.9 Å²	61.9	11%	0.11	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-70.2	-20.5	-176.5	30.3	-34.3	0	0	0	111.6	K355 L359 Y364 V366	K355-P357 WeakPolarHBondContact O-CD 3.44Å; P357-L359 VanDerWaalsContact C-N 3.33Å; P357-L359 PolarHBondContact O-N 3.04Å; P357-Y364 HydrophobicContact CB-CD1 3.83Å; P357-Y364 HydrophobicContact CB-CG 4.49Å; P357-Y364 VanDerWaalsContact O-CB 3.31Å; P357-Y364 WeakPolarHBondContact O-CB 3.42Å; P357-V366 HydrophobicContact CB-CG2 4.39Å
358	W	66.7	Low	70.3	Confident	123 Å²	123	59 Å²	59	47%	0.466	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-83.4	-6.8	-176.7	-63.9	-76.6	0	0	0	113.6	W327 D356 R437	W327-W358 HydrophobicContact CB-CH2 3.55Å; W327-W358 HydrophobicContact CB-CZ3 3.98Å; W327-W358 AromaticContact CD1-CH2 3.97Å; W327-W358 HydrophobicContact CD2-CH2 4.27Å; W327-W358 AromaticContact CG-CH2 3.66Å; W327-W358 HydrophobicContact CG-CH2 3.66Å; W327-W358 HydrophobicContact CG-CZ3 4.15Å; D356-W358 PolarHBondContact O-N 3.34Å; D356-W358 WeakPolarHBondContact OD1-CB 3.33Å; D356-W358 PolarHBondContact OD1-N 2.8Å; W358-R437 VanDerWaalsContact CE3-CD 3.4Å; W358-R437 VanDerWaalsContact CE3-NE 3.25Å
359	L	60.2	Low	69.5	Low	117 Å²	117	60 Å²	60	61%	0.613	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-77.9	-14	177.8	-74.5	-179.2	0	0	0	114.3	D356 P357 A435	D356-L359 HydrophobicContact CB-CB 4.48Å; D356-L359 HydrophobicContact CB-CD1 3.78Å; D356-L359 HydrophobicContact CB-CG 3.82Å; D356-L359 PolarHBondContact O-N 2.89Å; P357-L359 VanDerWaalsContact C-N 3.33Å; P357-L359 PolarHBondContact O-N 3.04Å; L359-A435 HydrophobicContact CD1-CB 3.64Å
360	R	55.6	Low	68.9	Low	201 Å²	201	60 Å²	60	76%	0.758	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-118.7	21.6	-174.3	-69.5	-167.4	-178	-159	1	115	Y364	R360-Y364 HydrophobicContact CB-CD2 3.81Å; R360-Y364 HydrophobicContact CB-CE2 4.4Å; R360-Y364 HydrophobicContact CG-CD2 4.37Å; R360-Y364 HydrophobicContact CG-CE2 4.48Å
361	G	53.7	Low	68.6	Low	47 Å²	47	60 Å²	60	49%	0.485	30%	0.303	S	S	.	.			trans	88.8	-179.2	177.6	0	0	0	0	0	114.3	S363	G361-S363 PolarHBondContact O-N 3.49Å
362	R	48.2	Very low	68.4	Low	242 Å²	242	60 Å²	60	91%	0.913	30%	0.303	S	S	*	.	S	Bend	trans	-70.1	1.6	-166.5	-68.5	-173.8	-179.3	179.8	0.7	116.1	H312	H312-R362 PolarHBondContact NE2-O 2.75Å
363	S	50.7	Low	68.2	Low	107 Å²	107	60 Å²	60	75%	0.748	30%	0.303	S	S	*	.			trans	-139.3	57.7	-177.2	-179.1	0	0	0	0	111.7	G361	G361-S363 PolarHBondContact O-N 3.49Å
364	Y	54.7	Low	68.1	Low	56 Å²	56	60 Å²	60	22%	0.22	30%	0.303	C	S	.	.			trans	-91.5	111.6	173.1	-169.8	-100.3	0	0	0	111.1	P357 R360 V366 D370	P357-Y364 HydrophobicContact CB-CD1 3.83Å; P357-Y364 HydrophobicContact CB-CG 4.49Å; P357-Y364 VanDerWaalsContact O-CB 3.31Å; P357-Y364 WeakPolarHBondContact O-CB 3.42Å; R360-Y364 HydrophobicContact CB-CD2 3.81Å; R360-Y364 HydrophobicContact CB-CE2 4.4Å; R360-Y364 HydrophobicContact CG-CD2 4.37Å; R360-Y364 HydrophobicContact CG-CE2 4.48Å; Y364-V366 HydrophobicContact CD1-CG2 4.28Å; Y364-V366 HydrophobicContact CE1-CG2 4.44Å; Y364-V366 PolarHBondContact O-N 3.42Å; Y364-D370 PolarHBondContact OH-OD1 3.31Å; Y364-D370 PolarHBondContact OH-OD2 3.19Å
365	V	57.3	Low	68.1	Low	77 Å²	77	60.2 Å²	60.2	47%	0.467	30%	0.304	S	S	.	.			trans	-79.4	116.1	168.4	-178.9	0	0	0	0	107.9	R309 T367	R309-V365 HydrophobicContact CG-CG1 4.27Å; V365-T367 PolarHBondContact O-N 2.92Å
366	V	59.9	Low	68.3	Low	14 Å²	14	57.7 Å²	57.7	9%	0.085	29%	0.293	C	S	.	.			trans	-65.1	111.5	173.9	-174	0	0	0	0	107.8	P357 Y364 D370 I371	P357-V366 HydrophobicContact CB-CG2 4.39Å; Y364-V366 HydrophobicContact CD1-CG2 4.28Å; Y364-V366 HydrophobicContact CE1-CG2 4.44Å; Y364-V366 PolarHBondContact O-N 3.42Å; V366-D370 HydrophobicContact CG1-CB 4.05Å; V366-I371 HydrophobicContact CG1-CD1 3.57Å; V366-I371 HydrophobicContact CG1-CG1 3.41Å; V366-I371 VanDerWaalsContact CG1-CG1 3.41Å
367	T	61.4	Low	68.5	Low	51 Å²	51	58.9 Å²	58.9	31%	0.313	30%	0.299	S	S	.	.			trans	-81.2	157.9	176.4	72.4	0	0	0	0	109.4	V365 T369 D370	V365-T367 PolarHBondContact O-N 2.92Å; T367-T369 PolarHBondContact O-N 3.31Å; T367-T369 PolarHBondContact OG1-N 3.26Å; T367-T369 PolarHBondContact OG1-OG1 3.3Å; T367-D370 WeakPolarHBondContact CB-OD2 3.43Å; T367-D370 PolarHBondContact N-OD2 2.87Å; T367-D370 WeakPolarHBondContact O-CB 3.3Å; T367-D370 PolarHBondContact O-N 3.33Å; T367-D370 PolarHBondContact OG1-OD1 3.03Å; T367-D370 PolarHBondContact OG1-OD2 2.88Å
368	P	63.1	Low	69	Low	62 Å²	62	63.3 Å²	63.3	40%	0.403	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-52.4	-23.4	168.5	-26.6	35.3	0	0	0	112.4	D370 R388	P368-D370 PolarHBondContact O-N 2.91Å; P368-R388 WeakPolarHBondContact O-CD 3.18Å; P368-R388 PolarHBondContact O-NE 3.23Å; P368-R388 PolarHBondContact O-NH1 3.04Å
369	T	66.4	Low	69	Low	75 Å²	75	60.3 Å²	60.3	46%	0.46	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-71.5	-11.1	177	75.1	0	0	0	0	116.2	T367 R388	T367-T369 PolarHBondContact O-N 3.31Å; T367-T369 PolarHBondContact OG1-N 3.26Å; T367-T369 PolarHBondContact OG1-OG1 3.3Å; T369-R388 VanDerWaalsContact C-NH1 3.32Å; T369-R388 VanDerWaalsContact CA-NH2 3.33Å; T369-R388 PolarHBondContact O-NH1 3.47Å
370	D	74.7	Confident	69.4	Low	3 Å²	3	62.1 Å²	62.1	2%	0.016	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-107.7	6.5	-170.3	-55.7	-36.6	0	0	0	112.9	C354 K355 Y364 V366 T367 P368	C354-D370 CarbonylContact C-O 3.52Å; C354-D370 WeakPolarHBondContact CA-O 3.47Å; K355-D370 HydrophobicContact CB-CB 3.98Å; K355-D370 HydrophobicContact CD-CB 3.92Å; K355-D370 WeakPolarHBondContact CD-OD1 3.34Å; K355-D370 VanDerWaalsContact CE-OD1 3.23Å; K355-D370 WeakPolarHBondContact CE-OD1 3.43Å; K355-D370 HydrophobicContact CG-CB 3.83Å; K355-D370 PolarHBondContact N-O 3.46Å; K355-D370 IonicContact NZ-OD1 3.62Å; K355-D370 PolarHBondContact NZ-OD1 3.4Å; Y364-D370 PolarHBondContact OH-OD1 3.31Å; Y364-D370 PolarHBondContact OH-OD2 3.19Å; V366-D370 HydrophobicContact CG1-CB 4.05Å; T367-D370 WeakPolarHBondContact CB-OD2 3.43Å; T367-D370 PolarHBondContact N-OD2 2.87Å; T367-D370 WeakPolarHBondContact O-CB 3.3Å; T367-D370 PolarHBondContact O-N 3.33Å; T367-D370 PolarHBondContact OG1-OD1 3.03Å; T367-D370 PolarHBondContact OG1-OD2 2.88Å; P368-D370 PolarHBondContact O-N 2.91Å
371	I	80.8	Confident	69.9	Low	1 Å²	1	58.6 Å²	58.6	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.2	-167.1	-61	-178.6	0	0	0	110.2	F306 I308 V366 L373 R388	F306-I371 HydrophobicContact CD1-CG2 4.4Å; F306-I371 HydrophobicContact CE1-CG2 4.32Å; I308-I371 HydrophobicContact CD1-CD1 4.46Å; V366-I371 HydrophobicContact CG1-CD1 3.57Å; V366-I371 HydrophobicContact CG1-CG1 3.41Å; V366-I371 VanDerWaalsContact CG1-CG1 3.41Å; I371-L373 HydrophobicContact CG2-CB 4.04Å; I371-L373 HydrophobicContact CG2-CD1 3.17Å; I371-L373 HydrophobicContact CG2-CD2 4.42Å; I371-L373 HydrophobicContact CG2-CG 3.26Å; I371-R388 WeakPolarHBondContact O-CD 3.35Å
372	F	87.8	Confident	70.6	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	80.8	178.8	-48.2	-70.2	0	0	0	109.1	G352 V353 V413 Y427 T431 F432	G352-F372 WeakPolarHBondContact CA-O 3.41Å; V353-F372 HydrophobicContact CG2-CB 3.97Å; V353-F372 HydrophobicContact CG2-CD2 4.12Å; V353-F372 PolarHBondContact N-O 3.35Å; V353-F372 CarbonylContact O-C 3.6Å; V353-F372 WeakPolarHBondContact O-CA 3.26Å; V353-F372 PolarHBondContact O-N 3.46Å; F372-V413 HydrophobicContact CB-CG1 3.71Å; F372-Y427 HydrophobicContact CB-CE1 4.38Å; F372-Y427 HydrophobicContact CB-CE2 4.33Å; F372-Y427 HydrophobicContact CD1-CD1 4.02Å; F372-Y427 AromaticContact CD1-CE1 3.97Å; F372-Y427 HydrophobicContact CD1-CE1 3.97Å; F372-T431 HydrophobicContact CD1-CG2 3.34Å; F372-T431 HydrophobicContact CE1-CG2 3.02Å; F372-T431 HydrophobicContact CG-CG2 4.34Å; F372-T431 HydrophobicContact CZ-CG2 3.79Å; F372-F432 AromaticContact CD2-CD1 3.84Å; F372-F432 HydrophobicContact CD2-CD1 3.84Å; F372-F432 HydrophobicContact CD2-CE1 4.48Å; F372-F432 HydrophobicContact CD2-CG 4.48Å; F372-F432 HydrophobicContact CE2-CB 3.7Å; F372-F432 AromaticContact CE2-CD1 3.68Å; F372-F432 HydrophobicContact CE2-CD1 3.68Å; F372-F432 AromaticContact CE2-CG 3.95Å; F372-F432 HydrophobicContact CE2-CG 3.95Å; F372-F432 HydrophobicContact CG-CD1 4.35Å; F372-F432 HydrophobicContact CZ-CB 3.79Å; F372-F432 HydrophobicContact CZ-CD1 4.09Å; F372-F432 HydrophobicContact CZ-CG 4.37Å
373	L	88.2	Confident	71.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	148.1	-168.6	-60	178	0	0	0	112.2	F306 T350 V351 I371 Y427 F439	F306-L373 HydrophobicContact CE1-CB 4.3Å; T350-L373 HydrophobicContact CG2-CB 3.58Å; T350-L373 HydrophobicContact CG2-CD1 3.6Å; T350-L373 HydrophobicContact CG2-CD2 4.46Å; T350-L373 HydrophobicContact CG2-CG 4.05Å; V351-L373 WeakPolarHBondContact O-CA 3.21Å; I371-L373 HydrophobicContact CG2-CB 4.04Å; I371-L373 HydrophobicContact CG2-CD1 3.17Å; I371-L373 HydrophobicContact CG2-CD2 4.42Å; I371-L373 HydrophobicContact CG2-CG 3.26Å; L373-Y427 PolarHBondContact N-OH 3.49Å; L373-Y427 PolarHBondContact O-OH 2.94Å; L373-F439 HydrophobicContact CD1-CD1 3.56Å; L373-F439 HydrophobicContact CD1-CE1 3.72Å; L373-F439 HydrophobicContact CD1-CG 4.41Å; L373-F439 HydrophobicContact CD2-CB 3.93Å; L373-F439 HydrophobicContact CD2-CD1 3.56Å; L373-F439 HydrophobicContact CD2-CG 4.1Å; L373-F439 HydrophobicContact CG-CD1 4.23Å
374	L	89.3	Confident	73.1	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	118.5	164.3	178.7	67.3	0	0	0	108.4	W349 T350 V351 L385 V402 F415 I424 L425	W349-L374 HydrophobicContact CH2-CD2 4Å; W349-L374 HydrophobicContact CH2-CG 4.28Å; W349-L374 HydrophobicContact CZ3-CD2 4.07Å; W349-L374 HydrophobicContact CZ3-CG 4.03Å; T350-L374 CarbonylContact C-O 3.57Å; T350-L374 VanDerWaalsContact CA-O 3.29Å; T350-L374 WeakPolarHBondContact CA-O 3.39Å; V351-L374 PolarHBondContact N-O 2.94Å; V351-L374 PolarHBondContact O-N 3.06Å; L374-L385 HydrophobicContact CD1-CB 4.23Å; L374-L385 HydrophobicContact CD1-CD2 4.31Å; L374-L385 HydrophobicContact CG-CD2 4.49Å; L374-V402 HydrophobicContact CD2-CG1 4.4Å; L374-F415 HydrophobicContact CB-CD1 3.76Å; L374-F415 HydrophobicContact CB-CD2 4.11Å; L374-F415 HydrophobicContact CB-CE1 3.74Å; L374-F415 HydrophobicContact CB-CE2 4.1Å; L374-F415 HydrophobicContact CB-CG 3.94Å; L374-F415 HydrophobicContact CB-CZ 3.92Å; L374-F415 HydrophobicContact CD2-CB 3.8Å; L374-F415 HydrophobicContact CD2-CD1 3.99Å; L374-F415 HydrophobicContact CD2-CG 3.86Å; L374-I424 HydrophobicContact CD1-CG2 4.38Å; L374-I424 HydrophobicContact CD2-CD1 4.34Å; L374-I424 HydrophobicContact CD2-CG2 3.83Å; L374-L425 HydrophobicContact CD1-CD2 4.24Å
375	E	87.2	Confident	74.5	Confident	6 Å²	6	43.2 Å²	43.2	3%	0.028	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	139.7	174.4	-178.9	169.9	-152	0	0	110.5	P305 F306 R348 W349 T350 L377 L385 I386	P305-E375 WeakPolarHBondContact CD-OE1 3.48Å; P305-E375 WeakPolarHBondContact CG-OE1 3.42Å; F306-E375 WeakPolarHBondContact CD2-OE2 3.43Å; F306-E375 HydrophobicContact CE2-CB 3.99Å; F306-E375 WeakPolarHBondContact CE2-OE2 3.3Å; F306-E375 HydrophobicContact CZ-CB 4.25Å; R348-E375 IonicContact CZ-OE1 3Å; R348-E375 IonicContact NE-OE1 3.37Å; R348-E375 PolarHBondContact NE-OE1 3.44Å; R348-E375 IonicContact NH2-OE1 3.67Å; R348-E375 PolarHBondContact NH2-OE1 2.82Å; W349-E375 CarbonylContact O-C 3.52Å; W349-E375 WeakPolarHBondContact O-CA 3.37Å; T350-E375 HydrophobicContact CG2-CB 4.02Å; T350-E375 VanDerWaalsContact OG1-CG 3.3Å; T350-E375 WeakPolarHBondContact OG1-CG 3.47Å; E375-L377 HydrophobicContact CG-CD2 3.85Å; E375-L377 HydrophobicContact CG-CG 4.02Å; E375-L377 WeakPolarHBondContact OE1-CD2 3.49Å; E375-L385 CarbonylContact O-C 3.55Å; E375-L385 VanDerWaalsContact O-CA 3.26Å; E375-L385 WeakPolarHBondContact O-CA 3.43Å; E375-I386 PolarHBondContact N-O 2.86Å; E375-I386 PolarHBondContact O-N 3.37Å
376	C	86.8	Confident	75.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.8	168	-172.7	0	0	0	0	109.8	R348 W349 I384 L385	R348-C376 WeakPolarHBondContact CA-O 3.43Å; W349-C376 HydrophobicContact CD2-CB 3.49Å; W349-C376 VanDerWaalsContact CD2-CB 3.49Å; W349-C376 HydrophobicContact CE3-CB 3.9Å; W349-C376 HydrophobicContact CG-CB 4.11Å; W349-C376 HydrophobicContact CH2-CB 3.74Å; W349-C376 HydrophobicContact CZ2-CB 3.32Å; W349-C376 HydrophobicContact CZ3-CB 4.01Å; W349-C376 PolarHBondContact N-O 3.42Å; W349-C376 VanDerWaalsContact N-O 3.14Å; W349-C376 PolarHBondContact O-N 3.01Å; C376-I384 WeakPolarHBondContact CA-O 3.38Å; C376-L385 HydrophobicContact CB-CD2 3.71Å
377	L	80.8	Confident	76.4	Confident	38 Å²	38	40.4 Å²	40.4	20%	0.199	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	138.7	178.2	-62.1	-179.3	0	0	0	110.2	R348 E375 Y383 I384 I386	R348-L377 HydrophobicContact CG-CD2 3.88Å; R348-L377 VanDerWaalsContact CZ-CD2 3.47Å; E375-L377 HydrophobicContact CG-CD2 3.85Å; E375-L377 HydrophobicContact CG-CG 4.02Å; E375-L377 WeakPolarHBondContact OE1-CD2 3.49Å; L377-Y383 CarbonylContact O-C 3.58Å; L377-Y383 VanDerWaalsContact O-CA 3.24Å; L377-Y383 WeakPolarHBondContact O-CA 3.35Å; L377-I384 PolarHBondContact N-O 3.29Å; L377-I384 PolarHBondContact O-N 2.86Å; L377-I386 HydrophobicContact CD1-CD1 3.6Å; L377-I386 HydrophobicContact CG-CD1 4.47Å
378	R	75.4	Confident	76.5	Confident	110 Å²	110	41.8 Å²	41.8	42%	0.415	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	122.8	163.1	-174.7	176.5	174.3	171.8	0.2	109.2	K380 Y383	R378-K380 PolarHBondContact NE-O 2.56Å; R378-Y383 HydrophobicContact CB-CD1 4.15Å; R378-Y383 HydrophobicContact CB-CE1 3.9Å; R378-Y383 HydrophobicContact CG-CE1 4.25Å
379	N	67.2	Low	76.3	Confident	60 Å²	60	44.3 Å²	44.3	32%	0.321	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	103.4	173.6	-178.9	17.1	0	0	0	108.8	D381 H382 I384	N379-D381 PolarHBondContact O-N 3.03Å; N379-H382 PolarHBondContact N-O 3.06Å; N379-H382 PolarHBondContact ND2-CE1 2.79Å; N379-H382 VanDerWaalsContact ND2-CE1 3.34Å; N379-H382 PolarHBondContact ND2-NE2 3.35Å; N379-H382 VanDerWaalsContact ND2-NE2 3.17Å; N379-H382 PolarHBondContact O-CE1 3.18Å; N379-H382 PolarHBondContact O-N 3.23Å; N379-H382 PolarHBondContact O-ND1 3.01Å; N379-I384 HydrophobicContact CB-CD1 3.9Å; N379-I384 HydrophobicContact CB-CG1 4.37Å
380	K	68.5	Low	76	Confident	155 Å²	155	43.5 Å²	43.5	67%	0.674	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	-101.6	-172	-57	-178.1	-179.9	-175.1	0	111.3	R378	R378-K380 PolarHBondContact NE-O 2.56Å
381	D	65	Low	75.6	Confident	126 Å²	126	48.8 Å²	48.8	67%	0.674	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104	2.5	-172.8	-52.2	-47.2	0	0	0	114.3	N379	N379-D381 PolarHBondContact O-N 3.03Å
382	H	69.4	Low	75.1	Confident	33 Å²	33	52.3 Å²	52.3	15%	0.153	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	168	-179.9	62.9	-86.2	0	0	0	113	I268 N379	I268-H382 HydrophobicContact CD1-CB 3.91Å; I268-H382 WeakPolarHBondContact CD1-CD2 3.26Å; I268-H382 WeakPolarHBondContact CD1-CE1 3.42Å; I268-H382 WeakPolarHBondContact CD1-ND1 3.14Å; I268-H382 WeakPolarHBondContact CD1-NE2 3.4Å; N379-H382 PolarHBondContact N-O 3.06Å; N379-H382 PolarHBondContact ND2-CE1 2.79Å; N379-H382 VanDerWaalsContact ND2-CE1 3.34Å; N379-H382 PolarHBondContact ND2-NE2 3.35Å; N379-H382 VanDerWaalsContact ND2-NE2 3.17Å; N379-H382 PolarHBondContact O-CE1 3.18Å; N379-H382 PolarHBondContact O-N 3.23Å; N379-H382 PolarHBondContact O-ND1 3.01Å
383	Y	74.7	Confident	74.5	Confident	74 Å²	74	53.1 Å²	53.1	29%	0.29	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	143.2	175	-66.6	-90.7	0	0	0	110.6	L377 R378 K397	L377-Y383 CarbonylContact O-C 3.58Å; L377-Y383 VanDerWaalsContact O-CA 3.24Å; L377-Y383 WeakPolarHBondContact O-CA 3.35Å; R378-Y383 HydrophobicContact CB-CD1 4.15Å; R378-Y383 HydrophobicContact CB-CE1 3.9Å; R378-Y383 HydrophobicContact CG-CE1 4.25Å; Y383-K397 HydrophobicContact CD1-CD 3.9Å; Y383-K397 HydrophobicContact CD2-CD 3.71Å; Y383-K397 HydrophobicContact CE1-CD 4.12Å; Y383-K397 VanDerWaalsContact CE1-NZ 3.32Å; Y383-K397 HydrophobicContact CE2-CD 3.95Å; Y383-K397 HydrophobicContact CG-CD 3.69Å; Y383-K397 HydrophobicContact CG-CG 4.33Å; Y383-K397 VanDerWaalsContact CZ-NZ 3.31Å; Y383-K397 PolarHBondContact OH-NZ 2.87Å
384	I	77.5	Confident	73.8	Confident	19 Å²	19	53.6 Å²	53.6	10%	0.097	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.7	175.7	-51.8	176.2	0	0	0	107.6	C376 L377 N379 I386 E392	C376-I384 WeakPolarHBondContact CA-O 3.38Å; L377-I384 PolarHBondContact N-O 3.29Å; L377-I384 PolarHBondContact O-N 2.86Å; N379-I384 HydrophobicContact CB-CD1 3.9Å; N379-I384 HydrophobicContact CB-CG1 4.37Å; I384-I386 HydrophobicContact CB-CG1 4.49Å; I384-I386 HydrophobicContact CG2-CD1 3.98Å; I384-I386 HydrophobicContact CG2-CG1 3.65Å; I384-E392 HydrophobicContact CG2-CB 4.06Å; I384-E392 HydrophobicContact CG2-CG 3.79Å
385	L	84.1	Confident	73.3	Confident	3 Å²	3	54.1 Å²	54.1	2%	0.016	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.2	169.8	-67.5	174.4	0	0	0	109	W349 L374 E375 C376 E392 H393 I395 I424	W349-L385 HydrophobicContact CH2-CD2 3.97Å; W349-L385 HydrophobicContact CZ2-CD2 4.3Å; L374-L385 HydrophobicContact CD1-CB 4.23Å; L374-L385 HydrophobicContact CD1-CD2 4.31Å; L374-L385 HydrophobicContact CG-CD2 4.49Å; E375-L385 CarbonylContact O-C 3.55Å; E375-L385 VanDerWaalsContact O-CA 3.26Å; E375-L385 WeakPolarHBondContact O-CA 3.43Å; C376-L385 HydrophobicContact CB-CD2 3.71Å; L385-E392 CarbonylContact O-C 3.44Å; L385-H393 HydrophobicContact CB-CB 4.04Å; L385-H393 PolarHBondContact O-N 2.83Å; L385-I395 HydrophobicContact CD1-CB 4.33Å; L385-I424 HydrophobicContact CD1-CG2 3.9Å
386	I	79.1	Confident	72.9	Confident	23 Å²	23	56.8 Å²	56.8	12%	0.118	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	147.4	-175.5	-53.9	-175.9	0	0	0	109.8	E375 L377 I384	E375-I386 PolarHBondContact N-O 2.86Å; E375-I386 PolarHBondContact O-N 3.37Å; L377-I386 HydrophobicContact CD1-CD1 3.6Å; L377-I386 HydrophobicContact CG-CD1 4.47Å; I384-I386 HydrophobicContact CB-CG1 4.49Å; I384-I386 HydrophobicContact CG2-CD1 3.98Å; I384-I386 HydrophobicContact CG2-CG1 3.65Å
387	T	76.5	Confident	72.6	Confident	9 Å²	9	59.6 Å²	59.6	6%	0.055	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	172.4	170.3	61.7	0	0	0	0	111.8	I389 G390 R391 H393 L425	T387-I389 PolarHBondContact O-N 3.36Å; T387-G390 PolarHBondContact O-N 2.92Å; T387-R391 PolarHBondContact N-O 3.47Å; T387-H393 WeakPolarHBondContact CG2-NE2 3.46Å; T387-H393 PolarHBondContact OG1-NE2 3.34Å; T387-H393 VanDerWaalsContact OG1-NE2 3.17Å; T387-L425 HydrophobicContact CG2-CD1 4.34Å; T387-L425 HydrophobicContact CG2-CD2 3.13Å; T387-L425 HydrophobicContact CG2-CG 4.34Å
388	R	64.3	Low	72.6	Confident	81 Å²	81	58.1 Å²	58.1	31%	0.306	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-36	-34.4	176.1	173.4	-176.6	153.2	175.8	-4.6	116.7	F306 P368 T369 I371 G390	F306-R388 HydrophobicContact CE1-CB 4.28Å; P368-R388 WeakPolarHBondContact O-CD 3.18Å; P368-R388 PolarHBondContact O-NE 3.23Å; P368-R388 PolarHBondContact O-NH1 3.04Å; T369-R388 VanDerWaalsContact C-NH1 3.32Å; T369-R388 VanDerWaalsContact CA-NH2 3.33Å; T369-R388 PolarHBondContact O-NH1 3.47Å; I371-R388 WeakPolarHBondContact O-CD 3.35Å; R388-G390 PolarHBondContact O-N 2.98Å
389	I	58.3	Low	72.7	Confident	114 Å²	114	57.7 Å²	57.7	59%	0.585	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	9	-176.6	-44.1	176.8	0	0	0	111.3	T387 R391	T387-I389 PolarHBondContact O-N 3.36Å; I389-R391 HydrophobicContact CB-CG 4.01Å; I389-R391 HydrophobicContact CG2-CG 4.15Å; I389-R391 PolarHBondContact O-N 3.43Å; I389-R391 VanDerWaalsContact O-N 3.14Å
390	G	60.3	Low	73.5	Confident	58 Å²	58	56 Å²	56	60%	0.598	29%	0.285	S	S	*	.			trans	63.2	16.6	-172	0	0	0	0	0	112.7	T387 R388 E392	T387-G390 PolarHBondContact O-N 2.92Å; R388-G390 PolarHBondContact O-N 2.98Å; G390-E392 PolarHBondContact O-N 3.24Å
391	R	66.3	Low	74.6	Confident	114 Å²	114	52.1 Å²	52.1	43%	0.43	27%	0.269	S	S	.	.			trans	-81.1	119.7	179.8	-73	-177.2	179.9	-176.1	-0.2	108.8	T387 I389 H393	T387-R391 PolarHBondContact N-O 3.47Å; I389-R391 HydrophobicContact CB-CG 4.01Å; I389-R391 HydrophobicContact CG2-CG 4.15Å; I389-R391 PolarHBondContact O-N 3.43Å; I389-R391 VanDerWaalsContact O-N 3.14Å; R391-H393 PolarHBondContact O-CD2 3.12Å; R391-H393 PolarHBondContact O-NE2 2.95Å
392	E	71.5	Confident	75.9	Confident	76 Å²	76	46.2 Å²	46.2	36%	0.355	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	132.5	169	-60.9	-173.6	169.5	0	0	109.4	I384 L385 G390 Y394	I384-E392 HydrophobicContact CG2-CB 4.06Å; I384-E392 HydrophobicContact CG2-CG 3.79Å; L385-E392 CarbonylContact O-C 3.44Å; G390-E392 PolarHBondContact O-N 3.24Å; E392-Y394 HydrophobicContact CB-CE1 4.46Å
393	H	73.8	Confident	77.1	Confident	16 Å²	16	44.6 Å²	44.6	7%	0.074	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	119.6	173	-66	-90.6	0	0	0	108	L385 T387 R391 I395 L425	L385-H393 HydrophobicContact CB-CB 4.04Å; L385-H393 PolarHBondContact O-N 2.83Å; T387-H393 WeakPolarHBondContact CG2-NE2 3.46Å; T387-H393 PolarHBondContact OG1-NE2 3.34Å; T387-H393 VanDerWaalsContact OG1-NE2 3.17Å; R391-H393 PolarHBondContact O-CD2 3.12Å; R391-H393 PolarHBondContact O-NE2 2.95Å; H393-I395 HydrophobicContact CB-CD1 4.12Å; H393-I395 PolarHBondContact O-N 3.36Å; H393-L425 VanDerWaalsContact CE1-CD1 3.47Å; H393-L425 WeakPolarHBondContact CE1-CD1 3.35Å
394	Y	74.7	Confident	78.2	Confident	10 Å²	10	41.1 Å²	41.1	4%	0.039	22%	0.216	C	C	.	.			trans	-89.2	57.5	-174.9	-59.3	-77.1	0	0	0	110.9	R163 W167 P269 R270 L271 E392	R163-Y394 HydrophobicContact CG-CE1 4.28Å; R163-Y394 WeakPolarHBondContact CG-OH 3.39Å; W167-Y394 HydrophobicContact CB-CE2 4.33Å; W167-Y394 HydrophobicContact CE3-CD1 4.46Å; W167-Y394 AromaticContact CE3-CD2 3.56Å; W167-Y394 HydrophobicContact CE3-CD2 3.56Å; W167-Y394 HydrophobicContact CE3-CE2 4.29Å; W167-Y394 AromaticContact CE3-CG 3.65Å; W167-Y394 HydrophobicContact CE3-CG 3.65Å; W167-Y394 HydrophobicContact CZ3-CD2 4.21Å; W167-Y394 AromaticContact CZ3-CG 3.91Å; W167-Y394 HydrophobicContact CZ3-CG 3.91Å; P269-Y394 HydrophobicContact CB-CD1 4.46Å; P269-Y394 HydrophobicContact CG-CD1 3.44Å; P269-Y394 VanDerWaalsContact CG-CD1 3.44Å; P269-Y394 HydrophobicContact CG-CE1 3.66Å; P269-Y394 HydrophobicContact CG-CG 3.96Å; P269-Y394 WeakPolarHBondContact O-CB 3.2Å; P269-Y394 WeakPolarHBondContact O-CD1 3.48Å; R270-Y394 CarbonylContact C-O 3.57Å; L271-Y394 WeakPolarHBondContact CB-O 3.33Å; L271-Y394 PolarHBondContact N-O 3.47Å; E392-Y394 HydrophobicContact CB-CE1 4.46Å
395	I	78.2	Confident	79	Confident	12 Å²	12	41 Å²	41	6%	0.062	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-115.2	148	179.3	-52.8	154.1	0	0	0	107.4	R174 A273 L385 H393 I424	R174-I395 VanDerWaalsContact NH1-CG1 3.34Å; A273-I395 HydrophobicContact CB-CG2 4.09Å; L385-I395 HydrophobicContact CD1-CB 4.33Å; H393-I395 HydrophobicContact CB-CD1 4.12Å; H393-I395 PolarHBondContact O-N 3.36Å; I395-I424 HydrophobicContact CD1-CG2 4.07Å; I395-I424 WeakPolarHBondContact CD1-O 3.36Å
396	E	79.3	Confident	79.6	Confident	61 Å²	61	40.9 Å²	40.9	29%	0.285	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-53.2	142	170.6	-66.5	-179.9	166.2	0	0	112	L271 R272 K420	L271-E396 PolarHBondContact O-N 2.99Å; R272-E396 VanDerWaalsContact CG-OE1 3.23Å; R272-E396 WeakPolarHBondContact CG-OE1 3.26Å; E396-K420 IonicContact OE2-NZ 2.82Å; E396-K420 PolarHBondContact OE2-NZ 2.86Å
397	K	80.2	Confident	80.3	Confident	60 Å²	60	40.2 Å²	40.2	26%	0.261	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-57.7	130.6	175.2	-173.9	-167.9	-180	179.7	0	108.9	Y383	Y383-K397 HydrophobicContact CD1-CD 3.9Å; Y383-K397 HydrophobicContact CD2-CD 3.71Å; Y383-K397 HydrophobicContact CE1-CD 4.12Å; Y383-K397 VanDerWaalsContact CE1-NZ 3.32Å; Y383-K397 HydrophobicContact CE2-CD 3.95Å; Y383-K397 HydrophobicContact CG-CD 3.69Å; Y383-K397 HydrophobicContact CG-CG 4.33Å; Y383-K397 VanDerWaalsContact CZ-NZ 3.31Å; Y383-K397 PolarHBondContact OH-NZ 2.87Å
398	P	81.5	Confident	81	Confident	7 Å²	7	40.5 Å²	40.5	5%	0.045	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-64.2	140.7	173.5	26.8	-34.2	0	0	0	110.8	W349 V402 D417 I424	W349-P398 HydrophobicContact CH2-CG 4.18Å; W349-P398 HydrophobicContact CZ2-CG 3.92Å; P398-V402 HydrophobicContact CB-CG2 3.87Å; P398-V402 HydrophobicContact CG-CG2 3.48Å; P398-V402 VanDerWaalsContact CG-CG2 3.48Å; P398-D417 WeakPolarHBondContact CA-OD2 3.13Å; P398-D417 HydrophobicContact CB-CB 4.06Å; P398-I424 HydrophobicContact CB-CD1 3.85Å; P398-I424 HydrophobicContact CG-CD1 3.9Å
399	V	76.9	Confident	82.3	Confident	101 Å²	101	42.2 Å²	42.2	61%	0.612	23%	0.225	S	C	*	.	P	Polyproline II helix	trans	-95.8	121.5	-179.7	-176.2	0	0	0	0	109	Q401	V399-Q401 PolarHBondContact O-N 3.05Å; V399-Q401 VanDerWaalsContact O-N 3.12Å
400	G	83.1	Confident	83.7	Confident	25 Å²	25	38 Å²	38	26%	0.258	21%	0.21	S	C	.	.	S	Bend	trans	80.5	-93.1	177.1	0	0	0	0	0	113.1	L343 K344	L343-G400 PolarHBondContact N-O 3.15Å; K344-G400 PolarHBondContact N-O 3.23Å
401	Q	91.1	Very high	85.1	Confident	73 Å²	73	35.2 Å²	35.2	34%	0.341	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	138.9	-167.6	-69.8	177.3	-21.5	0	0	112.9	V341 D342 V399 V418	V341-Q401 VanDerWaalsContact O-CA 3.31Å; V341-Q401 WeakPolarHBondContact O-CA 3.22Å; D342-Q401 HydrophobicContact CB-CG 4.12Å; V399-Q401 PolarHBondContact O-N 3.05Å; V399-Q401 VanDerWaalsContact O-N 3.12Å; Q401-V418 HydrophobicContact CB-CB 4.03Å; Q401-V418 HydrophobicContact CB-CG2 3.88Å; Q401-V418 PolarHBondContact O-N 3.11Å
402	V	93.5	Very high	86.2	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.5	167.7	174.9	0	0	0	0	108.8	V341 L343 W349 V351 L374 P398 F415 V416 I424	V341-V402 PolarHBondContact N-O 3Å; V341-V402 PolarHBondContact O-N 3.26Å; L343-V402 HydrophobicContact CD1-CB 3.77Å; L343-V402 HydrophobicContact CD1-CG2 3.69Å; W349-V402 HydrophobicContact CH2-CG2 3.85Å; W349-V402 HydrophobicContact CZ2-CG2 4.14Å; V351-V402 HydrophobicContact CG1-CG1 4.12Å; L374-V402 HydrophobicContact CD2-CG1 4.4Å; P398-V402 HydrophobicContact CB-CG2 3.87Å; P398-V402 HydrophobicContact CG-CG2 3.48Å; P398-V402 VanDerWaalsContact CG-CG2 3.48Å; V402-F415 HydrophobicContact CG1-CB 4.38Å; V402-F415 HydrophobicContact CG1-CD1 4.27Å; V402-V416 WeakPolarHBondContact CA-O 3.29Å; V402-I424 HydrophobicContact CG1-CD1 4.08Å; V402-I424 HydrophobicContact CG2-CD1 4.05Å
403	G	95.3	Very high	87.2	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	138.7	171.7	0	0	0	0	0	110.8	W339 F415 V416	W339-G403 CarbonylContact O-C 3.43Å; W339-G403 WeakPolarHBondContact O-CA 3.42Å; G403-F415 CarbonylContact O-C 3.47Å; G403-F415 VanDerWaalsContact O-CA 3.29Å; G403-F415 WeakPolarHBondContact O-CA 3.13Å; G403-V416 PolarHBondContact N-O 3.3Å; G403-V416 PolarHBondContact O-N 2.9Å
404	V	96.1	Very high	88.1	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	118.5	175.1	-172.8	0	0	0	0	108.3	Y338 W339 V351 V413 F415	Y338-V404 WeakPolarHBondContact CA-O 3.1Å; Y338-V404 WeakPolarHBondContact CD2-O 3.48Å; W339-V404 HydrophobicContact CD2-CB 4.01Å; W339-V404 HydrophobicContact CE3-CB 4.44Å; W339-V404 HydrophobicContact CH2-CB 4.08Å; W339-V404 HydrophobicContact CH2-CG1 3.53Å; W339-V404 HydrophobicContact CZ2-CB 3.61Å; W339-V404 HydrophobicContact CZ2-CG1 3.35Å; W339-V404 HydrophobicContact CZ2-CG2 4.18Å; W339-V404 HydrophobicContact CZ3-CB 4.47Å; W339-V404 HydrophobicContact CZ3-CG1 4.21Å; W339-V404 PolarHBondContact N-O 2.83Å; W339-V404 PolarHBondContact O-N 3.33Å; V351-V404 HydrophobicContact CG1-CG2 4.41Å; V351-V404 HydrophobicContact CG2-CG2 3.78Å; V404-V413 HydrophobicContact CG1-CG2 3.59Å; V404-F415 HydrophobicContact CG1-CE1 4.21Å; V404-F415 HydrophobicContact CG2-CD1 4.09Å; V404-F415 HydrophobicContact CG2-CE1 4.11Å
405	F	95.6	Very high	89	Confident	17 Å²	17	25.9 Å²	25.9	8%	0.075	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123.7	174.5	178.6	-112	0	0	0	110.1	L283 F286 K336 Y337 Y338 D407 Y412 V413 S414	L283-F405 HydrophobicContact CD2-CB 3.8Å; L283-F405 HydrophobicContact CD2-CD1 4.12Å; L283-F405 HydrophobicContact CD2-CD2 3.48Å; L283-F405 VanDerWaalsContact CD2-CD2 3.48Å; L283-F405 HydrophobicContact CD2-CE2 4.05Å; L283-F405 HydrophobicContact CD2-CG 3.51Å; F286-F405 HydrophobicContact CB-CE2 4.31Å; F286-F405 AromaticContact CD2-CE2 3.66Å; F286-F405 HydrophobicContact CD2-CE2 3.66Å; F286-F405 HydrophobicContact CD2-CZ 4.39Å; F286-F405 HydrophobicContact CE2-CE2 4.22Å; F286-F405 HydrophobicContact CG-CE2 4.06Å; K336-F405 HydrophobicContact CB-CE2 4.14Å; K336-F405 HydrophobicContact CB-CZ 4.22Å; K336-F405 HydrophobicContact CD-CZ 4.23Å; K336-F405 HydrophobicContact CG-CZ 4.28Å; Y337-F405 CarbonylContact O-C 3.49Å; Y337-F405 WeakPolarHBondContact O-CA 3.3Å; Y337-F405 WeakPolarHBondContact O-CD2 3.36Å; Y338-F405 HydrophobicContact CD2-CB 4.14Å; F405-D407 HydrophobicContact CE1-CB 4.07Å; F405-D407 HydrophobicContact CZ-CB 4.38Å; F405-Y412 HydrophobicContact CD1-CE2 4.3Å; F405-Y412 HydrophobicContact CE1-CE2 4.17Å; F405-V413 CarbonylContact O-C 3.55Å; F405-V413 VanDerWaalsContact O-CA 3.28Å; F405-V413 WeakPolarHBondContact O-CA 3.39Å; F405-V413 WeakPolarHBondContact O-CG2 3.22Å; F405-S414 PolarHBondContact N-O 2.95Å; F405-S414 PolarHBondContact O-N 3.18Å
406	L	95.4	Very high	89.7	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	124.4	-179.9	175.1	65.2	0	0	0	109.3	F332 K336 Y337 W339 V353 F432 V436	F332-L406 HydrophobicContact CB-CD2 3.75Å; F332-L406 HydrophobicContact CD2-CD2 4.1Å; F332-L406 HydrophobicContact CG-CD2 4.09Å; K336-L406 CarbonylContact C-O 3.33Å; K336-L406 VanDerWaalsContact CA-O 3.3Å; K336-L406 WeakPolarHBondContact CA-O 3.49Å; Y337-L406 HydrophobicContact CD2-CD2 4.14Å; Y337-L406 PolarHBondContact N-O 3.15Å; Y337-L406 PolarHBondContact O-N 2.84Å; W339-L406 HydrophobicContact CH2-CB 4.23Å; W339-L406 HydrophobicContact CZ3-CB 3.9Å; W339-L406 HydrophobicContact CZ3-CD2 4.44Å; V353-L406 HydrophobicContact CG1-CD1 4.46Å; V353-L406 HydrophobicContact CG1-CD2 4.46Å; V353-L406 HydrophobicContact CG2-CD1 4.39Å; L406-F432 HydrophobicContact CD1-CE1 4.26Å; L406-F432 HydrophobicContact CD1-CE2 4.18Å; L406-F432 HydrophobicContact CD1-CZ 3.45Å; L406-F432 VanDerWaalsContact CD1-CZ 3.45Å; L406-V436 HydrophobicContact CD1-CG2 3.82Å; L406-V436 HydrophobicContact CD2-CG2 3.78Å; L406-V436 HydrophobicContact CG-CG2 4.46Å
407	D	93.8	Very high	90.3	Very high	9 Å²	9	22.7 Å²	22.7	5%	0.048	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	100.4	172.4	-172.4	-21.8	0	0	0	107.9	K336 F405 E409 G410 G411 Y412	K336-D407 WeakPolarHBondContact CE-OD2 3.25Å; K336-D407 HydrophobicContact CG-CB 4.34Å; F405-D407 HydrophobicContact CE1-CB 4.07Å; F405-D407 HydrophobicContact CZ-CB 4.38Å; D407-E409 PolarHBondContact OD1-N 2.77Å; D407-G410 PolarHBondContact OD1-N 3.21Å; D407-G411 WeakPolarHBondContact O-CA 3.3Å; D407-G411 PolarHBondContact O-N 2.94Å; D407-Y412 HydrophobicContact CB-CD1 4.09Å; D407-Y412 HydrophobicContact CB-CE1 3.48Å; D407-Y412 VanDerWaalsContact CB-CE1 3.48Å; D407-Y412 HydrophobicContact CB-CE2 3.99Å; D407-Y412 WeakPolarHBondContact CB-OH 3.28Å; D407-Y412 PolarHBondContact N-O 3.42Å; D407-Y412 PolarHBondContact O-N 2.97Å; D407-Y412 WeakPolarHBondContact OD2-CE1 3.41Å; D407-Y412 PolarHBondContact OD2-OH 2.98Å
408	C	92.2	Very high	90.8	Very high	15 Å²	15	21 Å²	21	10%	0.101	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-37.9	-176.4	-69.2	0	0	0	0	111.7	G335 G411	G335-C408 VanDerWaalsContact O-CB 3.26Å; G335-C408 WeakPolarHBondContact O-CB 3.35Å; G335-C408 PolarHBondContact O-N 2.83Å; C408-G411 PolarHBondContact O-N 3.36Å
409	E	91	Very high	91.3	Very high	118 Å²	118	24.4 Å²	24.4	55%	0.551	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-44.1	176	-69.2	79.3	-170	0	0	111.6	G335 D407 G411	G335-E409 VanDerWaalsContact C-OE2 3.22Å; G335-E409 VanDerWaalsContact CA-OE1 3.25Å; G335-E409 WeakPolarHBondContact CA-OE1 3.41Å; G335-E409 WeakPolarHBondContact CA-OE2 3.38Å; G335-E409 VanDerWaalsContact N-CD 3.28Å; G335-E409 PolarHBondContact N-OE1 3.41Å; G335-E409 PolarHBondContact N-OE2 3.06Å; D407-E409 PolarHBondContact OD1-N 2.77Å; E409-G411 VanDerWaalsContact C-N 3.28Å; E409-G411 PolarHBondContact O-N 3.26Å
410	G	87.6	Confident	91.9	Very high	25 Å²	25	22.7 Å²	22.7	26%	0.258	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-14.9	177.1	0	0	0	0	0	114	D407 Y412 P429 G430	D407-G410 PolarHBondContact OD1-N 3.21Å; G410-Y412 WeakPolarHBondContact O-CD1 3.47Å; G410-P429 WeakPolarHBondContact O-CA 3.39Å; G410-G430 PolarHBondContact O-N 3.05Å
411	G	90.3	Very high	92.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	39.6	179.6	0	0	0	0	0	113.8	D407 C408 E409 G430 T431 F432	D407-G411 WeakPolarHBondContact O-CA 3.3Å; D407-G411 PolarHBondContact O-N 2.94Å; C408-G411 PolarHBondContact O-N 3.36Å; E409-G411 VanDerWaalsContact C-N 3.28Å; E409-G411 PolarHBondContact O-N 3.26Å; G411-G430 PolarHBondContact O-N 3.44Å; G411-T431 WeakPolarHBondContact O-CA 3.21Å; G411-T431 WeakPolarHBondContact O-CB 3.44Å; G411-T431 PolarHBondContact O-N 3.19Å; G411-F432 WeakPolarHBondContact CA-O 3.35Å; G411-F432 PolarHBondContact O-N 3.18Å
412	Y	89.9	Confident	92.2	Very high	10 Å²	10	19 Å²	19	4%	0.039	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	162.9	178.8	67.9	-85.7	0	0	0	113.2	K184 F405 D407 G410 S428 P429	K184-Y412 PolarHBondContact NZ-OH 3.39Å; F405-Y412 HydrophobicContact CD1-CE2 4.3Å; F405-Y412 HydrophobicContact CE1-CE2 4.17Å; D407-Y412 HydrophobicContact CB-CD1 4.09Å; D407-Y412 HydrophobicContact CB-CE1 3.48Å; D407-Y412 VanDerWaalsContact CB-CE1 3.48Å; D407-Y412 HydrophobicContact CB-CE2 3.99Å; D407-Y412 WeakPolarHBondContact CB-OH 3.28Å; D407-Y412 PolarHBondContact N-O 3.42Å; D407-Y412 PolarHBondContact O-N 2.97Å; D407-Y412 WeakPolarHBondContact OD2-CE1 3.41Å; D407-Y412 PolarHBondContact OD2-OH 2.98Å; G410-Y412 WeakPolarHBondContact O-CD1 3.47Å; Y412-S428 WeakPolarHBondContact CB-O 3.35Å; Y412-P429 HydrophobicContact CD1-CB 4.32Å
413	V	92.6	Very high	92.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140.4	173.6	64.6	0	0	0	0	110	V353 F372 V404 F405 F415 Y427	V353-V413 HydrophobicContact CG2-CB 4.32Å; V353-V413 HydrophobicContact CG2-CG1 4.39Å; V353-V413 HydrophobicContact CG2-CG2 4.46Å; F372-V413 HydrophobicContact CB-CG1 3.71Å; V404-V413 HydrophobicContact CG1-CG2 3.59Å; F405-V413 CarbonylContact O-C 3.55Å; F405-V413 VanDerWaalsContact O-CA 3.28Å; F405-V413 WeakPolarHBondContact O-CA 3.39Å; F405-V413 WeakPolarHBondContact O-CG2 3.22Å; V413-F415 HydrophobicContact CG1-CE2 3.98Å; V413-F415 HydrophobicContact CG1-CZ 4.21Å; V413-F415 HydrophobicContact CG2-CE2 4.22Å; V413-F415 HydrophobicContact CG2-CZ 4.06Å; V413-Y427 HydrophobicContact CG1-CD2 3.46Å; V413-Y427 VanDerWaalsContact CG1-CD2 3.46Å; V413-Y427 HydrophobicContact CG1-CE2 4.08Å; V413-Y427 HydrophobicContact CG1-CG 4.01Å; V413-Y427 PolarHBondContact O-N 2.73Å
414	S	92.5	Very high	91.7	Very high	10 Å²	10	19.6 Å²	19.6	7%	0.07	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	148.7	176	-47.9	0	0	0	0	110.7	F405 L425 S426	F405-S414 PolarHBondContact N-O 2.95Å; F405-S414 PolarHBondContact O-N 3.18Å; S414-L425 CarbonylContact C-O 3.53Å; S414-L425 VanDerWaalsContact CA-O 3.3Å; S414-L425 WeakPolarHBondContact CA-O 3.33Å; S414-S426 WeakPolarHBondContact OG-CB 3.35Å; S414-S426 PolarHBondContact OG-OG 3.48Å
415	F	92.9	Very high	91.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.7	-179.7	-57.9	-89.7	0	0	0	109.2	V351 L374 V402 G403 V404 V413 I424 L425 Y427	V351-F415 HydrophobicContact CG1-CD1 4.19Å; V351-F415 HydrophobicContact CG1-CE1 4.08Å; V351-F415 VanDerWaalsContact O-CE1 3.23Å; V351-F415 WeakPolarHBondContact O-CE1 3Å; L374-F415 HydrophobicContact CB-CD1 3.76Å; L374-F415 HydrophobicContact CB-CD2 4.11Å; L374-F415 HydrophobicContact CB-CE1 3.74Å; L374-F415 HydrophobicContact CB-CE2 4.1Å; L374-F415 HydrophobicContact CB-CG 3.94Å; L374-F415 HydrophobicContact CB-CZ 3.92Å; L374-F415 HydrophobicContact CD2-CB 3.8Å; L374-F415 HydrophobicContact CD2-CD1 3.99Å; L374-F415 HydrophobicContact CD2-CG 3.86Å; V402-F415 HydrophobicContact CG1-CB 4.38Å; V402-F415 HydrophobicContact CG1-CD1 4.27Å; G403-F415 CarbonylContact O-C 3.47Å; G403-F415 VanDerWaalsContact O-CA 3.29Å; G403-F415 WeakPolarHBondContact O-CA 3.13Å; V404-F415 HydrophobicContact CG1-CE1 4.21Å; V404-F415 HydrophobicContact CG2-CD1 4.09Å; V404-F415 HydrophobicContact CG2-CE1 4.11Å; V413-F415 HydrophobicContact CG1-CE2 3.98Å; V413-F415 HydrophobicContact CG1-CZ 4.21Å; V413-F415 HydrophobicContact CG2-CE2 4.22Å; V413-F415 HydrophobicContact CG2-CZ 4.06Å; F415-I424 HydrophobicContact CB-CB 4.18Å; F415-I424 WeakPolarHBondContact O-CA 3.48Å; F415-I424 WeakPolarHBondContact O-CB 3.49Å; F415-I424 PolarHBondContact O-N 3Å; F415-L425 HydrophobicContact CB-CB 4.41Å; F415-L425 HydrophobicContact CD2-CB 4.07Å; F415-L425 HydrophobicContact CD2-CD2 3.85Å; F415-L425 HydrophobicContact CD2-CG 4.23Å; F415-L425 HydrophobicContact CE2-CD2 4.09Å; F415-L425 PolarHBondContact N-O 2.75Å; F415-L425 PolarHBondContact O-N 3.46Å; F415-L425 VanDerWaalsContact O-N 3.15Å; F415-Y427 AromaticContact CE2-CD2 3.97Å; F415-Y427 HydrophobicContact CE2-CD2 3.97Å; F415-Y427 AromaticContact CE2-CE2 3.77Å; F415-Y427 HydrophobicContact CE2-CE2 3.77Å
416	V	92.3	Very high	90.9	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.012	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	144.1	-177.2	-60.6	0	0	0	0	111.4	L279 L283 Y338 V402 G403 V418 S422 L423	L279-V416 HydrophobicContact CD2-CG1 3.97Å; L283-V416 HydrophobicContact CD1-CB 4.36Å; L283-V416 HydrophobicContact CD1-CG1 3.73Å; L283-V416 HydrophobicContact CD1-CG2 3.83Å; Y338-V416 HydrophobicContact CE2-CG2 3.97Å; V402-V416 WeakPolarHBondContact CA-O 3.29Å; G403-V416 PolarHBondContact N-O 3.3Å; G403-V416 PolarHBondContact O-N 2.9Å; V416-V418 PolarHBondContact O-N 2.92Å; V416-S422 CarbonylContact C-O 3.55Å; V416-S422 VanDerWaalsContact CA-O 3.26Å; V416-S422 WeakPolarHBondContact CA-O 3.29Å; V416-S422 WeakPolarHBondContact CB-O 3.43Å; V416-L423 HydrophobicContact CG1-CD1 4.43Å
417	D	91.9	Very high	90.5	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.021	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	109.8	165.8	-179.9	-29.1	0	0	0	106.2	P398 A419 K420 S421 S422 I424	P398-D417 WeakPolarHBondContact CA-OD2 3.13Å; P398-D417 HydrophobicContact CB-CB 4.06Å; D417-A419 PolarHBondContact OD1-N 2.7Å; D417-K420 HydrophobicContact CB-CB 4.26Å; D417-K420 PolarHBondContact OD1-N 3.23Å; D417-K420 WeakPolarHBondContact OD2-CD 3.45Å; D417-S421 WeakPolarHBondContact O-CA 3.36Å; D417-S421 PolarHBondContact O-N 2.91Å; D417-S422 PolarHBondContact N-O 3.4Å; D417-S422 PolarHBondContact O-N 2.88Å; D417-S422 VanDerWaalsContact O-N 3.12Å; D417-I424 HydrophobicContact CB-CD1 4.14Å; D417-I424 HydrophobicContact CB-CG1 4.01Å
418	V	92.3	Very high	90.1	Very high	25 Å²	25	23.6 Å²	23.6	15%	0.152	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-41.7	-174	-179.1	0	0	0	0	110.5	E340 Q401 V416 K420 S421	E340-V418 HydrophobicContact CG-CG2 3.9Å; Q401-V418 HydrophobicContact CB-CB 4.03Å; Q401-V418 HydrophobicContact CB-CG2 3.88Å; Q401-V418 PolarHBondContact O-N 3.11Å; V416-V418 PolarHBondContact O-N 2.92Å; V418-K420 PolarHBondContact O-N 3.36Å; V418-S421 PolarHBondContact O-N 3.48Å
419	A	90.4	Very high	89.7	Confident	78 Å²	78	26.1 Å²	26.1	65%	0.645	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-39.6	-177.3	0	0	0	0	0	111.6	D417	D417-A419 PolarHBondContact OD1-N 2.7Å
420	K	90.3	Very high	89.3	Confident	64 Å²	64	22.2 Å²	22.2	28%	0.278	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-5.6	178.2	-66.6	-177.4	-177.6	168.5	0	113.8	S275 E396 D417 V418 S422	S275-K420 WeakPolarHBondContact CA-O 3.26Å; S275-K420 VanDerWaalsContact CB-O 3.31Å; S275-K420 WeakPolarHBondContact CB-O 3.18Å; S275-K420 PolarHBondContact OG-O 3.43Å; E396-K420 IonicContact OE2-NZ 2.82Å; E396-K420 PolarHBondContact OE2-NZ 2.86Å; D417-K420 HydrophobicContact CB-CB 4.26Å; D417-K420 PolarHBondContact OD1-N 3.23Å; D417-K420 WeakPolarHBondContact OD2-CD 3.45Å; V418-K420 PolarHBondContact O-N 3.36Å; K420-S422 WeakPolarHBondContact CB-OG 3.5Å; K420-S422 PolarHBondContact O-N 2.83Å
421	S	91.3	Very high	89.1	Confident	22 Å²	22	23.3 Å²	23.3	15%	0.154	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	44.3	-168.1	-173.4	0	0	0	0	112	I276 T280 D417 V418	I276-S421 PolarHBondContact N-O 2.88Å; T280-S421 WeakPolarHBondContact OG1-CA 3.25Å; T280-S421 VanDerWaalsContact OG1-CB 3.26Å; T280-S421 WeakPolarHBondContact OG1-CB 3.23Å; T280-S421 PolarHBondContact OG1-OG 3.29Å; D417-S421 WeakPolarHBondContact O-CA 3.36Å; D417-S421 PolarHBondContact O-N 2.91Å; V418-S421 PolarHBondContact O-N 3.48Å
422	S	89.9	Confident	88.7	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	154.7	-170.6	73.3	0	0	0	0	112	A273 H274 V416 D417 K420	A273-S422 WeakPolarHBondContact CB-OG 3.43Å; H274-S422 WeakPolarHBondContact O-CB 3.34Å; V416-S422 CarbonylContact C-O 3.55Å; V416-S422 VanDerWaalsContact CA-O 3.26Å; V416-S422 WeakPolarHBondContact CA-O 3.29Å; V416-S422 WeakPolarHBondContact CB-O 3.43Å; D417-S422 PolarHBondContact N-O 3.4Å; D417-S422 PolarHBondContact O-N 2.88Å; D417-S422 VanDerWaalsContact O-N 3.12Å; K420-S422 WeakPolarHBondContact CB-OG 3.5Å; K420-S422 PolarHBondContact O-N 2.83Å
423	L	89.5	Confident	88.3	Confident	9 Å²	9	31.2 Å²	31.2	5%	0.047	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	124.9	177.1	-178	79.7	0	0	0	110.9	R174 V177 V181 I276 V416	R174-L423 PolarHBondContact NH2-O 3.44Å; V177-L423 HydrophobicContact CB-CD2 4.15Å; V177-L423 HydrophobicContact CG1-CD2 3.28Å; V181-L423 HydrophobicContact CG2-CD1 4.46Å; V181-L423 HydrophobicContact CG2-CD2 4.28Å; I276-L423 HydrophobicContact CD1-CB 3.99Å; V416-L423 HydrophobicContact CG1-CD1 4.43Å
424	I	87.6	Confident	87.8	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.015	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-60.5	167.2	-57.4	165.1	0	0	0	108.1	R174 L374 L385 I395 P398 V402 F415 D417	R174-I424 PolarHBondContact NH1-O 2.57Å; L374-I424 HydrophobicContact CD1-CG2 4.38Å; L374-I424 HydrophobicContact CD2-CD1 4.34Å; L374-I424 HydrophobicContact CD2-CG2 3.83Å; L385-I424 HydrophobicContact CD1-CG2 3.9Å; I395-I424 HydrophobicContact CD1-CG2 4.07Å; I395-I424 WeakPolarHBondContact CD1-O 3.36Å; P398-I424 HydrophobicContact CB-CD1 3.85Å; P398-I424 HydrophobicContact CG-CD1 3.9Å; V402-I424 HydrophobicContact CG1-CD1 4.08Å; V402-I424 HydrophobicContact CG2-CD1 4.05Å; F415-I424 HydrophobicContact CB-CB 4.18Å; F415-I424 WeakPolarHBondContact O-CA 3.48Å; F415-I424 WeakPolarHBondContact O-CB 3.49Å; F415-I424 PolarHBondContact O-N 3Å; D417-I424 HydrophobicContact CB-CD1 4.14Å; D417-I424 HydrophobicContact CB-CG1 4.01Å
425	L	87.1	Confident	87.6	Confident	15 Å²	15	33.6 Å²	33.6	8%	0.079	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	150.2	-172.4	173.5	71.9	0	0	0	111	L374 T387 H393 S414 F415 Y427	L374-L425 HydrophobicContact CD1-CD2 4.24Å; T387-L425 HydrophobicContact CG2-CD1 4.34Å; T387-L425 HydrophobicContact CG2-CD2 3.13Å; T387-L425 HydrophobicContact CG2-CG 4.34Å; H393-L425 VanDerWaalsContact CE1-CD1 3.47Å; H393-L425 WeakPolarHBondContact CE1-CD1 3.35Å; S414-L425 CarbonylContact C-O 3.53Å; S414-L425 VanDerWaalsContact CA-O 3.3Å; S414-L425 WeakPolarHBondContact CA-O 3.33Å; F415-L425 HydrophobicContact CB-CB 4.41Å; F415-L425 HydrophobicContact CD2-CB 4.07Å; F415-L425 HydrophobicContact CD2-CD2 3.85Å; F415-L425 HydrophobicContact CD2-CG 4.23Å; F415-L425 HydrophobicContact CE2-CD2 4.09Å; F415-L425 PolarHBondContact N-O 2.75Å; F415-L425 PolarHBondContact O-N 3.46Å; F415-L425 VanDerWaalsContact O-N 3.15Å; L425-Y427 HydrophobicContact CD2-CD2 4.25Å; L425-Y427 HydrophobicContact CD2-CE2 3.88Å
426	S	88	Confident	87.5	Confident	8 Å²	8	33.6 Å²	33.6	6%	0.056	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	133.4	159.2	-169.4	0	0	0	0	110.7	V177 S414	V177-S426 VanDerWaalsContact CG1-CB 3.41Å; S414-S426 WeakPolarHBondContact OG-CB 3.35Å; S414-S426 PolarHBondContact OG-OG 3.48Å
427	Y	86.6	Confident	87.4	Confident	26 Å²	26	35.3 Å²	35.3	10%	0.102	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-66.4	157.3	164.5	-78.9	-100.3	0	0	0	110.3	R180 F372 L373 V413 F415 L425 T431	R180-Y427 PolarHBondContact NH1-O 3.3Å; F372-Y427 HydrophobicContact CB-CE1 4.38Å; F372-Y427 HydrophobicContact CB-CE2 4.33Å; F372-Y427 HydrophobicContact CD1-CD1 4.02Å; F372-Y427 AromaticContact CD1-CE1 3.97Å; F372-Y427 HydrophobicContact CD1-CE1 3.97Å; L373-Y427 PolarHBondContact N-OH 3.49Å; L373-Y427 PolarHBondContact O-OH 2.94Å; V413-Y427 HydrophobicContact CG1-CD2 3.46Å; V413-Y427 VanDerWaalsContact CG1-CD2 3.46Å; V413-Y427 HydrophobicContact CG1-CE2 4.08Å; V413-Y427 HydrophobicContact CG1-CG 4.01Å; V413-Y427 PolarHBondContact O-N 2.73Å; F415-Y427 AromaticContact CE2-CD2 3.97Å; F415-Y427 HydrophobicContact CE2-CD2 3.97Å; F415-Y427 AromaticContact CE2-CE2 3.77Å; F415-Y427 HydrophobicContact CE2-CE2 3.77Å; L425-Y427 HydrophobicContact CD2-CD2 4.25Å; L425-Y427 HydrophobicContact CD2-CE2 3.88Å; Y427-T431 HydrophobicContact CD1-CG2 4.11Å
428	S	85.1	Confident	87.5	Confident	61 Å²	61	35.2 Å²	35.2	43%	0.427	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-67.6	151.6	177.8	-65.3	0	0	0	0	111.3	Y412 T431	Y412-S428 WeakPolarHBondContact CB-O 3.35Å; S428-T431 VanDerWaalsContact O-CB 3.25Å; S428-T431 WeakPolarHBondContact O-CB 3.13Å; S428-T431 PolarHBondContact O-OG1 2.91Å
429	P	84.5	Confident	87.2	Confident	68 Å²	68	34.1 Å²	34.1	44%	0.442	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	153	173.1	-15.9	34.1	0	0	0	110.4	R180 G410 Y412 T431	R180-P429 VanDerWaalsContact CZ-CD 3.5Å; G410-P429 WeakPolarHBondContact O-CA 3.39Å; Y412-P429 HydrophobicContact CD1-CB 4.32Å; P429-T431 PolarHBondContact O-N 3Å
430	G	82.9	Confident	87	Confident	37 Å²	37	31 Å²	31	38%	0.381	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	17.7	-177.8	0	0	0	0	0	114.2	G410 G411 F432	G410-G430 PolarHBondContact O-N 3.05Å; G411-G430 PolarHBondContact O-N 3.44Å; G430-F432 VanDerWaalsContact C-N 3.25Å; G430-F432 PolarHBondContact O-N 3.09Å
431	T	82.3	Confident	86.7	Confident	47 Å²	47	28.3 Å²	28.3	29%	0.288	17%	0.166	S	C	.	.	S	Bend	trans	-68.3	-27	178.3	-73.5	0	0	0	0	111.8	F372 G411 Y427 S428 P429	F372-T431 HydrophobicContact CD1-CG2 3.34Å; F372-T431 HydrophobicContact CE1-CG2 3.02Å; F372-T431 HydrophobicContact CG-CG2 4.34Å; F372-T431 HydrophobicContact CZ-CG2 3.79Å; G411-T431 WeakPolarHBondContact O-CA 3.21Å; G411-T431 WeakPolarHBondContact O-CB 3.44Å; G411-T431 PolarHBondContact O-N 3.19Å; Y427-T431 HydrophobicContact CD1-CG2 4.11Å; S428-T431 VanDerWaalsContact O-CB 3.25Å; S428-T431 WeakPolarHBondContact O-CB 3.13Å; S428-T431 PolarHBondContact O-OG1 2.91Å; P429-T431 PolarHBondContact O-N 3Å
432	F	82.2	Confident	86.2	Confident	6 Å²	6	27.2 Å²	27.2	3%	0.026	16%	0.159	C	C	.	.			trans	-147.5	154.3	171.3	61.1	-92.7	0	0	0	111.9	F372 L406 G411 G430 V436	F372-F432 AromaticContact CD2-CD1 3.84Å; F372-F432 HydrophobicContact CD2-CD1 3.84Å; F372-F432 HydrophobicContact CD2-CE1 4.48Å; F372-F432 HydrophobicContact CD2-CG 4.48Å; F372-F432 HydrophobicContact CE2-CB 3.7Å; F372-F432 AromaticContact CE2-CD1 3.68Å; F372-F432 HydrophobicContact CE2-CD1 3.68Å; F372-F432 AromaticContact CE2-CG 3.95Å; F372-F432 HydrophobicContact CE2-CG 3.95Å; F372-F432 HydrophobicContact CG-CD1 4.35Å; F372-F432 HydrophobicContact CZ-CB 3.79Å; F372-F432 HydrophobicContact CZ-CD1 4.09Å; F372-F432 HydrophobicContact CZ-CG 4.37Å; L406-F432 HydrophobicContact CD1-CE1 4.26Å; L406-F432 HydrophobicContact CD1-CE2 4.18Å; L406-F432 HydrophobicContact CD1-CZ 3.45Å; L406-F432 VanDerWaalsContact CD1-CZ 3.45Å; G411-F432 WeakPolarHBondContact CA-O 3.35Å; G411-F432 PolarHBondContact O-N 3.18Å; G430-F432 VanDerWaalsContact C-N 3.25Å; G430-F432 PolarHBondContact O-N 3.09Å; F432-V436 HydrophobicContact CD2-CG1 3.79Å; F432-V436 HydrophobicContact CE2-CG1 4.06Å; F432-V436 HydrophobicContact CE2-CG2 4.18Å; F432-V436 HydrophobicContact CG-CG1 4.11Å; F432-V436 HydrophobicContact CZ-CG2 4.45Å
433	H	81.4	Confident	85.3	Confident	170 Å²	170	27.7 Å²	27.7	79%	0.787	16%	0.163	S	C	*	.			trans	-130.3	16.9	179	-60.2	-68.6	0	0	0	112.8
434	C	82.6	Confident	84.2	Confident	47 Å²	47	30.7 Å²	30.7	32%	0.318	17%	0.174	S	C	.	.	S	Bend	trans	-125.4	167.9	-173.9	57.8	0	0	0	0	110.8	K355 V436	K355-C434 WeakPolarHBondContact CD-SG 3.37Å; K355-C434 VanDerWaalsContact CE-SG 3.5Å; K355-C434 WeakPolarHBondContact CG-SG 3.21Å; C434-V436 PolarHBondContact O-N 3.07Å
435	A	88.7	Confident	82.8	Confident	14 Å²	14	35.7 Å²	35.7	12%	0.116	20%	0.204	C	C	.	.			trans	-62.4	136.1	175.1	0	0	0	0	0	111.2	S331 F332 D356 L359	S331-A435 WeakPolarHBondContact OG-CB 3.33Å; F332-A435 CarbonylContact O-C 3.56Å; F332-A435 VanDerWaalsContact O-CA 3.26Å; F332-A435 WeakPolarHBondContact O-CA 3.46Å; D356-A435 HydrophobicContact CB-CB 4.34Å; D356-A435 PolarHBondContact N-O 3.48Å; L359-A435 HydrophobicContact CD1-CB 3.64Å
436	V	90.8	Very high	82.5	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	154.7	179.2	-63.5	0	0	0	0	110.8	F332 V353 C354 L406 F432 C434	F332-V436 PolarHBondContact N-O 2.82Å; F332-V436 PolarHBondContact O-N 3.48Å; V353-V436 HydrophobicContact CB-CB 4.09Å; V353-V436 HydrophobicContact CB-CG2 4.14Å; V353-V436 HydrophobicContact CG1-CG2 4.4Å; V353-V436 HydrophobicContact CG2-CB 4.25Å; V353-V436 HydrophobicContact CG2-CG2 4.19Å; C354-V436 CarbonylContact O-C 3.58Å; C354-V436 WeakPolarHBondContact O-CA 3.26Å; C354-V436 WeakPolarHBondContact O-CB 3.32Å; L406-V436 HydrophobicContact CD1-CG2 3.82Å; L406-V436 HydrophobicContact CD2-CG2 3.78Å; L406-V436 HydrophobicContact CG-CG2 4.46Å; F432-V436 HydrophobicContact CD2-CG1 3.79Å; F432-V436 HydrophobicContact CE2-CG1 4.06Å; F432-V436 HydrophobicContact CE2-CG2 4.18Å; F432-V436 HydrophobicContact CG-CG1 4.11Å; F432-V436 HydrophobicContact CZ-CG2 4.45Å; C434-V436 PolarHBondContact O-N 3.07Å
437	R	90.6	Very high	82.3	Confident	38 Å²	38	38.2 Å²	38.2	14%	0.143	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	142.6	176.4	-73.9	-177.3	-178.5	-97.5	-1.3	110.9	G328 K329 V353 C354 D356 W358 F439	G328-R437 PolarHBondContact O-NH1 3Å; K329-R437 VanDerWaalsContact C-NH1 3.25Å; K329-R437 PolarHBondContact O-NH1 2.76Å; V353-R437 CarbonylContact C-O 3.53Å; V353-R437 WeakPolarHBondContact CA-O 3.33Å; C354-R437 PolarHBondContact N-O 3.17Å; C354-R437 PolarHBondContact O-N 3.38Å; D356-R437 HydrophobicContact CB-CG 4.3Å; D356-R437 IonicContact OD1-CZ 2.73Å; D356-R437 IonicContact OD1-NE 3.62Å; D356-R437 PolarHBondContact OD1-NE 3.19Å; D356-R437 IonicContact OD1-NH2 2.76Å; D356-R437 IonicContact OD2-CZ 3.69Å; D356-R437 IonicContact OD2-NE 2.83Å; D356-R437 PolarHBondContact OD2-NE 2.82Å; D356-R437 IonicContact OD2-NH2 3.32Å; D356-R437 PolarHBondContact OD2-NH2 2.82Å; W358-R437 VanDerWaalsContact CE3-CD 3.4Å; W358-R437 VanDerWaalsContact CE3-NE 3.25Å; R437-F439 PolarHBondContact O-N 3.44Å
438	P	92.8	Very high	82	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	138.9	167.4	-24.6	34	0	0	0	110.8	I290 F292 W327 G328 F332 W339 G352	I290-P438 HydrophobicContact CD1-CG 3.96Å; I290-P438 HydrophobicContact CG1-CG 4.21Å; I290-P438 HydrophobicContact CG2-CB 3.81Å; I290-P438 HydrophobicContact CG2-CG 3.8Å; F292-P438 HydrophobicContact CE1-CB 4.2Å; F292-P438 HydrophobicContact CZ-CB 4.45Å; W327-P438 CarbonylContact C-O 3.54Å; W327-P438 WeakPolarHBondContact CA-O 3.4Å; G328-P438 PolarHBondContact N-O 3.08Å; F332-P438 HydrophobicContact CD2-CG 4.25Å; F332-P438 HydrophobicContact CE2-CG 3.66Å; W339-P438 HydrophobicContact CH2-CG 4.24Å; W339-P438 HydrophobicContact CZ2-CB 3.94Å; W339-P438 HydrophobicContact CZ2-CG 4.09Å; G352-P438 WeakPolarHBondContact O-CA 3.36Å
439	F	87.6	Confident	81.8	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.009	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	141	176.2	176.8	-90.2	0	0	0	109.4	I308 V325 W327 T350 G352 L373 R437 F441	I308-F439 HydrophobicContact CD1-CE1 4.43Å; I308-F439 HydrophobicContact CD1-CE2 3.88Å; I308-F439 HydrophobicContact CD1-CZ 3.63Å; V325-F439 HydrophobicContact CG1-CE2 3.75Å; V325-F439 HydrophobicContact CG1-CZ 3.95Å; W327-F439 HydrophobicContact CD2-CD2 4.23Å; W327-F439 HydrophobicContact CD2-CE2 4.42Å; W327-F439 AromaticContact CE2-CD2 3.77Å; W327-F439 AromaticContact CE2-CE2 3.82Å; W327-F439 HydrophobicContact CG-CD2 4.38Å; W327-F439 HydrophobicContact CH2-CE2 4.35Å; W327-F439 HydrophobicContact CZ2-CD2 4.21Å; W327-F439 AromaticContact CZ2-CE2 3.78Å; W327-F439 HydrophobicContact CZ2-CE2 3.78Å; W327-F439 AromaticContact NE1-CD2 3.63Å; T350-F439 HydrophobicContact CG2-CE1 4.47Å; G352-F439 PolarHBondContact N-O 3.37Å; G352-F439 VanDerWaalsContact N-O 3.13Å; G352-F439 PolarHBondContact O-N 3.27Å; L373-F439 HydrophobicContact CD1-CD1 3.56Å; L373-F439 HydrophobicContact CD1-CE1 3.72Å; L373-F439 HydrophobicContact CD1-CG 4.41Å; L373-F439 HydrophobicContact CD2-CB 3.93Å; L373-F439 HydrophobicContact CD2-CD1 3.56Å; L373-F439 HydrophobicContact CD2-CG 4.1Å; L373-F439 HydrophobicContact CG-CD1 4.23Å; R437-F439 PolarHBondContact O-N 3.44Å; F439-F441 HydrophobicContact CE1-CB 3.85Å; F439-F441 HydrophobicContact CZ-CB 4.08Å
440	F	85.8	Confident	81.7	Confident	14 Å²	14	35.7 Å²	35.7	6%	0.061	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	132.3	179	173.6	-95.6	0	0	0	109.7	F292 R324 S326 V341 L343 Y346 T350 A442	F292-F440 HydrophobicContact CD1-CB 4.45Å; F292-F440 HydrophobicContact CE1-CB 3.75Å; F292-F440 HydrophobicContact CZ-CB 3.95Å; R324-F440 HydrophobicContact CG-CE1 4.3Å; S326-F440 PolarHBondContact N-O 2.94Å; S326-F440 PolarHBondContact O-N 2.84Å; V341-F440 HydrophobicContact CG1-CD2 3.8Å; V341-F440 HydrophobicContact CG1-CE2 3.63Å; L343-F440 HydrophobicContact CD2-CE2 3.63Å; L343-F440 HydrophobicContact CD2-CZ 4.43Å; Y346-F440 HydrophobicContact CE2-CZ 4.33Å; T350-F440 CarbonylContact O-C 3.55Å; T350-F440 WeakPolarHBondContact O-CA 3.36Å; F440-A442 HydrophobicContact CE1-CB 3.79Å; F440-A442 HydrophobicContact CE2-CB 4.16Å; F440-A442 HydrophobicContact CZ-CB 3.41Å; F440-A442 VanDerWaalsContact CZ-CB 3.41Å
441	F	83.1	Confident	81.6	Confident	6 Å²	6	35.6 Å²	35.6	3%	0.026	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	138.1	167.7	170.6	-99.2	0	0	0	109	P305 H323 R324 V325 R348 W349 T350 F439	P305-F441 HydrophobicContact CB-CD1 4.45Å; P305-F441 HydrophobicContact CG-CD1 3.46Å; P305-F441 VanDerWaalsContact CG-CD1 3.46Å; P305-F441 HydrophobicContact CG-CE1 3.66Å; P305-F441 HydrophobicContact CG-CG 4.06Å; P305-F441 HydrophobicContact CG-CZ 4.37Å; H323-F441 HydrophobicContact CB-CE2 3.96Å; H323-F441 HydrophobicContact CB-CZ 4.35Å; H323-F441 AromaticContact CD2-CZ 3.62Å; R324-F441 CarbonylContact O-C 3.6Å; R324-F441 VanDerWaalsContact O-CA 3.24Å; R324-F441 WeakPolarHBondContact O-CA 3.45Å; V325-F441 HydrophobicContact CB-CD2 4.43Å; V325-F441 HydrophobicContact CG2-CD2 3.55Å; V325-F441 HydrophobicContact CG2-CE2 3.96Å; R348-F441 HydrophobicContact CG-CE1 4.39Å; W349-F441 CarbonylContact C-O 3.56Å; W349-F441 WeakPolarHBondContact CA-O 3.33Å; T350-F441 PolarHBondContact N-O 3.18Å; T350-F441 PolarHBondContact O-N 2.94Å; F439-F441 HydrophobicContact CE1-CB 3.85Å; F439-F441 HydrophobicContact CZ-CB 4.08Å
442	A	80.1	Confident	81.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	149.9	169.1	0	0	0	0	0	112.3	R324 Y346 R348 W349 F440	R324-A442 PolarHBondContact N-O 2.76Å; R324-A442 PolarHBondContact O-N 2.95Å; Y346-A442 HydrophobicContact CD1-CB 3.29Å; Y346-A442 HydrophobicContact CD2-CB 4.26Å; Y346-A442 HydrophobicContact CE1-CB 3.46Å; Y346-A442 VanDerWaalsContact CE1-CB 3.46Å; Y346-A442 HydrophobicContact CE2-CB 4.44Å; Y346-A442 HydrophobicContact CG-CB 3.68Å; R348-A442 WeakPolarHBondContact O-CA 3.43Å; W349-A442 HydrophobicContact CB-CB 4.12Å; F440-A442 HydrophobicContact CE1-CB 3.79Å; F440-A442 HydrophobicContact CE2-CB 4.16Å; F440-A442 HydrophobicContact CZ-CB 3.41Å; F440-A442 VanDerWaalsContact CZ-CB 3.41Å
443	A	72.9	Confident	81.5	Confident	10 Å²	10	37 Å²	37	8%	0.083	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124.4	173.8	0	0	0	0	0	109.3	H323 R348	H323-A443 WeakPolarHBondContact CD2-CB 3.44Å; R348-A443 HydrophobicContact CB-CB 4.18Å; R348-A443 PolarHBondContact O-N 3.02Å
444	Y	66	Low	81.5	Confident	71 Å²	71	25.9 Å²	25.9	28%	0.278	14%	0.142	S	C	.	.			trans	-74.5	162.5	168.1	-65.5	-80.6	0	0	0	110.7	T322 R324 Y346	T322-Y444 WeakPolarHBondContact O-CD2 3.2Å; R324-Y444 PolarHBondContact NH1-OH 3.38Å; R324-Y444 VanDerWaalsContact NH1-OH 3.13Å; R324-Y444 PolarHBondContact NH2-OH 3.19Å; Y346-Y444 AromaticContact CD1-CD1 3.89Å; Y346-Y444 HydrophobicContact CD1-CD1 3.89Å; Y346-Y444 AromaticContact CD1-CE1 3.88Å; Y346-Y444 HydrophobicContact CD1-CE1 3.88Å; Y346-Y444 HydrophobicContact CD1-CG 4.26Å; Y346-Y444 AromaticContact CE1-CD1 3.64Å; Y346-Y444 HydrophobicContact CE1-CD1 3.64Å; Y346-Y444 HydrophobicContact CE1-CD2 4.06Å; Y346-Y444 AromaticContact CE1-CE1 3.18Å; Y346-Y444 HydrophobicContact CE1-CE1 3.18Å; Y346-Y444 AromaticContact CE1-CE2 3.66Å; Y346-Y444 HydrophobicContact CE1-CE2 3.66Å; Y346-Y444 HydrophobicContact CE1-CG 4.08Å; Y346-Y444 AromaticContact CE1-CZ 3.22Å; Y346-Y444 AromaticContact CZ-CE1 3.68Å; Y346-Y444 AromaticContact CZ-CZ 3.66Å; Y346-Y444 PolarHBondContact OH-OH 3.27Å
445	T	56.9	Low	81.4	Confident	108 Å²	108	24 Å²	24	66%	0.663	13%	0.126	S	C	*	.			trans	-51.4	0	177.5	43.6	0	0	0	0	114.4	R347	R347-T445 HydrophobicContact CG-CG2 4.22Å

Retrieved 445 of 445 residues in 199.2 ms (Link to these results)

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